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Datasets:
AI4Protein
/
VenusREM-Harness

License:
Dataset card Data Studio Files
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tyang816 commited on
Commit
93bfac0
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verified ·
1 Parent(s): 1f59ef2

Replace rem2 demo example SDA_BACSU with HCP_LAMBD_Tsuboyama_2023_2L6Q

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Files changed (8) hide show
  1. example/HCP_LAMBD_Tsuboyama_2023_2L6Q/aa_seq/HCP_LAMBD_Tsuboyama_2023_2L6Q.fasta +2 -0
  2. example/HCP_LAMBD_Tsuboyama_2023_2L6Q/aa_seq_aln_a2m/HCP_LAMBD_Tsuboyama_2023_2L6Q.a2m +0 -0
  3. example/HCP_LAMBD_Tsuboyama_2023_2L6Q/pdbs/HCP_LAMBD_Tsuboyama_2023_2L6Q.pdb +429 -0
  4. example/HCP_LAMBD_Tsuboyama_2023_2L6Q/substitutions/HCP_LAMBD_Tsuboyama_2023_2L6Q.csv +1041 -0
  5. example/SDA_BACSU_Tsuboyama_2023_1PV0/aa_seq/SDA_BACSU_Tsuboyama_2023_1PV0.fasta +0 -2
  6. example/SDA_BACSU_Tsuboyama_2023_1PV0/aa_seq_aln_a2m/SDA_BACSU_Tsuboyama_2023_1PV0.a2m +0 -0
  7. example/SDA_BACSU_Tsuboyama_2023_1PV0/pdbs/SDA_BACSU_Tsuboyama_2023_1PV0.pdb +0 -372
  8. example/SDA_BACSU_Tsuboyama_2023_1PV0/substitutions/SDA_BACSU_Tsuboyama_2023_1PV0.csv +0 -2771
example/HCP_LAMBD_Tsuboyama_2023_2L6Q/aa_seq/HCP_LAMBD_Tsuboyama_2023_2L6Q.fasta ADDED
@@ -0,0 +1,2 @@
 
 
 
1
+ >HCP_LAMBD_Tsuboyama_2023_2L6Q
2
+ VRQEELAAARAALHDLMTGKRVATVQKDGRRVEFTATSVSDLKKYIAELEVQTGM
example/HCP_LAMBD_Tsuboyama_2023_2L6Q/aa_seq_aln_a2m/HCP_LAMBD_Tsuboyama_2023_2L6Q.a2m ADDED
The diff for this file is too large to render. See raw diff
 
example/HCP_LAMBD_Tsuboyama_2023_2L6Q/pdbs/HCP_LAMBD_Tsuboyama_2023_2L6Q.pdb ADDED
@@ -0,0 +1,429 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ MODEL 1
2
+ ATOM 1 N VAL A 1 11.305 -1.300 -9.992 1.00 65.38 N
3
+ ATOM 2 CA VAL A 1 10.023 -0.620 -9.852 1.00 65.38 C
4
+ ATOM 3 C VAL A 1 9.102 -1.432 -8.945 1.00 65.38 C
5
+ ATOM 4 CB VAL A 1 9.344 -0.392 -11.227 1.00 65.38 C
6
+ ATOM 5 O VAL A 1 8.234 -0.873 -8.266 1.00 65.38 O
7
+ ATOM 6 CG1 VAL A 1 10.156 0.586 -12.070 1.00 65.38 C
8
+ ATOM 7 CG2 VAL A 1 9.164 -1.721 -11.961 1.00 65.38 C
9
+ ATOM 8 N ARG A 2 9.438 -2.705 -8.727 1.00 73.31 N
10
+ ATOM 9 CA ARG A 2 8.562 -3.535 -7.910 1.00 73.31 C
11
+ ATOM 10 C ARG A 2 8.742 -3.221 -6.430 1.00 73.31 C
12
+ ATOM 11 CB ARG A 2 8.836 -5.020 -8.172 1.00 73.31 C
13
+ ATOM 12 O ARG A 2 7.766 -3.205 -5.672 1.00 73.31 O
14
+ ATOM 13 CG ARG A 2 7.605 -5.801 -8.609 1.00 73.31 C
15
+ ATOM 14 CD ARG A 2 7.980 -7.035 -9.414 1.00 73.31 C
16
+ ATOM 15 NE ARG A 2 7.035 -8.125 -9.203 1.00 73.31 N
17
+ ATOM 16 NH1 ARG A 2 7.664 -9.312 -11.086 1.00 73.31 N
18
+ ATOM 17 NH2 ARG A 2 6.008 -10.117 -9.719 1.00 73.31 N
19
+ ATOM 18 CZ ARG A 2 6.906 -9.180 -10.000 1.00 73.31 C
20
+ ATOM 19 N GLN A 3 9.953 -3.008 -6.000 1.00 79.50 N
21
+ ATOM 20 CA GLN A 3 10.266 -2.666 -4.617 1.00 79.50 C
22
+ ATOM 21 C GLN A 3 9.680 -1.307 -4.242 1.00 79.50 C
23
+ ATOM 22 CB GLN A 3 11.773 -2.666 -4.387 1.00 79.50 C
24
+ ATOM 23 O GLN A 3 9.250 -1.103 -3.104 1.00 79.50 O
25
+ ATOM 24 CG GLN A 3 12.406 -4.047 -4.461 1.00 79.50 C
26
+ ATOM 25 CD GLN A 3 13.836 -4.066 -3.951 1.00 79.50 C
27
+ ATOM 26 NE2 GLN A 3 14.781 -4.359 -4.840 1.00 79.50 N
28
+ ATOM 27 OE1 GLN A 3 14.094 -3.822 -2.768 1.00 79.50 O
29
+ ATOM 28 N GLU A 4 9.758 -0.400 -5.164 1.00 84.25 N
30
+ ATOM 29 CA GLU A 4 9.211 0.934 -4.945 1.00 84.25 C
31
+ ATOM 30 C GLU A 4 7.707 0.875 -4.672 1.00 84.25 C
32
+ ATOM 31 CB GLU A 4 9.492 1.838 -6.148 1.00 84.25 C
33
+ ATOM 32 O GLU A 4 7.199 1.595 -3.809 1.00 84.25 O
34
+ ATOM 33 CG GLU A 4 10.961 2.160 -6.344 1.00 84.25 C
35
+ ATOM 34 CD GLU A 4 11.234 2.998 -7.582 1.00 84.25 C
36
+ ATOM 35 OE1 GLU A 4 11.258 4.246 -7.477 1.00 84.25 O
37
+ ATOM 36 OE2 GLU A 4 11.430 2.402 -8.664 1.00 84.25 O
38
+ ATOM 37 N GLU A 5 7.078 -0.040 -5.367 1.00 83.31 N
39
+ ATOM 38 CA GLU A 5 5.641 -0.234 -5.203 1.00 83.31 C
40
+ ATOM 39 C GLU A 5 5.309 -0.776 -3.816 1.00 83.31 C
41
+ ATOM 40 CB GLU A 5 5.098 -1.179 -6.281 1.00 83.31 C
42
+ ATOM 41 O GLU A 5 4.336 -0.349 -3.191 1.00 83.31 O
43
+ ATOM 42 CG GLU A 5 5.121 -0.590 -7.684 1.00 83.31 C
44
+ ATOM 43 CD GLU A 5 4.602 -1.548 -8.742 1.00 83.31 C
45
+ ATOM 44 OE1 GLU A 5 3.379 -1.555 -9.008 1.00 83.31 O
46
+ ATOM 45 OE2 GLU A 5 5.426 -2.299 -9.312 1.00 83.31 O
47
+ ATOM 46 N LEU A 6 6.176 -1.633 -3.439 1.00 87.06 N
48
+ ATOM 47 CA LEU A 6 6.008 -2.205 -2.107 1.00 87.06 C
49
+ ATOM 48 C LEU A 6 6.188 -1.138 -1.032 1.00 87.06 C
50
+ ATOM 49 CB LEU A 6 7.008 -3.342 -1.883 1.00 87.06 C
51
+ ATOM 50 O LEU A 6 5.402 -1.070 -0.084 1.00 87.06 O
52
+ ATOM 51 CG LEU A 6 6.414 -4.734 -1.669 1.00 87.06 C
53
+ ATOM 52 CD1 LEU A 6 7.465 -5.809 -1.936 1.00 87.06 C
54
+ ATOM 53 CD2 LEU A 6 5.855 -4.867 -0.256 1.00 87.06 C
55
+ ATOM 54 N ALA A 7 7.199 -0.348 -1.248 1.00 88.81 N
56
+ ATOM 55 CA ALA A 7 7.477 0.725 -0.296 1.00 88.81 C
57
+ ATOM 56 C ALA A 7 6.324 1.724 -0.247 1.00 88.81 C
58
+ ATOM 57 CB ALA A 7 8.781 1.437 -0.656 1.00 88.81 C
59
+ ATOM 58 O ALA A 7 5.910 2.154 0.833 1.00 88.81 O
60
+ ATOM 59 N ALA A 8 5.812 2.062 -1.413 1.00 88.88 N
61
+ ATOM 60 CA ALA A 8 4.695 3.000 -1.505 1.00 88.88 C
62
+ ATOM 61 C ALA A 8 3.445 2.432 -0.841 1.00 88.88 C
63
+ ATOM 62 CB ALA A 8 4.410 3.346 -2.965 1.00 88.88 C
64
+ ATOM 63 O ALA A 8 2.740 3.143 -0.121 1.00 88.88 O
65
+ ATOM 64 N ALA A 9 3.189 1.176 -1.121 1.00 90.19 N
66
+ ATOM 65 CA ALA A 9 2.037 0.501 -0.531 1.00 90.19 C
67
+ ATOM 66 C ALA A 9 2.146 0.458 0.990 1.00 90.19 C
68
+ ATOM 67 CB ALA A 9 1.902 -0.912 -1.093 1.00 90.19 C
69
+ ATOM 68 O ALA A 9 1.163 0.694 1.696 1.00 90.19 O
70
+ ATOM 69 N ARG A 10 3.326 0.189 1.488 1.00 90.75 N
71
+ ATOM 70 CA ARG A 10 3.564 0.157 2.928 1.00 90.75 C
72
+ ATOM 71 C ARG A 10 3.379 1.539 3.545 1.00 90.75 C
73
+ ATOM 72 CB ARG A 10 4.973 -0.364 3.227 1.00 90.75 C
74
+ ATOM 73 O ARG A 10 2.812 1.668 4.633 1.00 90.75 O
75
+ ATOM 74 CG ARG A 10 5.238 -0.607 4.703 1.00 90.75 C
76
+ ATOM 75 CD ARG A 10 6.422 -1.539 4.918 1.00 90.75 C
77
+ ATOM 76 NE ARG A 10 6.855 -1.549 6.312 1.00 90.75 N
78
+ ATOM 77 NH1 ARG A 10 8.039 -3.523 6.145 1.00 90.75 N
79
+ ATOM 78 NH2 ARG A 10 7.949 -2.402 8.141 1.00 90.75 N
80
+ ATOM 79 CZ ARG A 10 7.613 -2.492 6.863 1.00 90.75 C
81
+ ATOM 80 N ALA A 11 3.891 2.467 2.795 1.00 91.62 N
82
+ ATOM 81 CA ALA A 11 3.748 3.848 3.248 1.00 91.62 C
83
+ ATOM 82 C ALA A 11 2.279 4.250 3.334 1.00 91.62 C
84
+ ATOM 83 CB ALA A 11 4.504 4.793 2.314 1.00 91.62 C
85
+ ATOM 84 O ALA A 11 1.863 4.906 4.289 1.00 91.62 O
86
+ ATOM 85 N ALA A 12 1.528 3.846 2.320 1.00 91.50 N
87
+ ATOM 86 CA ALA A 12 0.098 4.141 2.277 1.00 91.50 C
88
+ ATOM 87 C ALA A 12 -0.625 3.521 3.471 1.00 91.50 C
89
+ ATOM 88 CB ALA A 12 -0.509 3.635 0.971 1.00 91.50 C
90
+ ATOM 89 O ALA A 12 -1.479 4.164 4.086 1.00 91.50 O
91
+ ATOM 90 N LEU A 13 -0.221 2.293 3.740 1.00 91.06 N
92
+ ATOM 91 CA LEU A 13 -0.796 1.603 4.891 1.00 91.06 C
93
+ ATOM 92 C LEU A 13 -0.442 2.320 6.188 1.00 91.06 C
94
+ ATOM 93 CB LEU A 13 -0.306 0.153 4.945 1.00 91.06 C
95
+ ATOM 94 O LEU A 13 -1.306 2.523 7.043 1.00 91.06 O
96
+ ATOM 95 CG LEU A 13 -0.894 -0.721 6.055 1.00 91.06 C
97
+ ATOM 96 CD1 LEU A 13 -2.379 -0.961 5.809 1.00 91.06 C
98
+ ATOM 97 CD2 LEU A 13 -0.141 -2.043 6.148 1.00 91.06 C
99
+ ATOM 98 N HIS A 14 0.790 2.725 6.262 1.00 91.50 N
100
+ ATOM 99 CA HIS A 14 1.251 3.459 7.438 1.00 91.50 C
101
+ ATOM 100 C HIS A 14 0.501 4.777 7.590 1.00 91.50 C
102
+ ATOM 101 CB HIS A 14 2.756 3.717 7.348 1.00 91.50 C
103
+ ATOM 102 O HIS A 14 0.108 5.148 8.703 1.00 91.50 O
104
+ ATOM 103 CG HIS A 14 3.357 4.199 8.633 1.00 91.50 C
105
+ ATOM 104 CD2 HIS A 14 2.949 4.059 9.914 1.00 91.50 C
106
+ ATOM 105 ND1 HIS A 14 4.523 4.934 8.672 1.00 91.50 N
107
+ ATOM 106 CE1 HIS A 14 4.809 5.219 9.938 1.00 91.50 C
108
+ ATOM 107 NE2 HIS A 14 3.869 4.699 10.703 1.00 91.50 N
109
+ ATOM 108 N ASP A 15 0.288 5.430 6.461 1.00 91.62 N
110
+ ATOM 109 CA ASP A 15 -0.447 6.691 6.461 1.00 91.62 C
111
+ ATOM 110 C ASP A 15 -1.890 6.484 6.918 1.00 91.62 C
112
+ ATOM 111 CB ASP A 15 -0.420 7.324 5.066 1.00 91.62 C
113
+ ATOM 112 O ASP A 15 -2.420 7.285 7.691 1.00 91.62 O
114
+ ATOM 113 CG ASP A 15 -0.206 8.828 5.105 1.00 91.62 C
115
+ ATOM 114 OD1 ASP A 15 -1.199 9.586 5.086 1.00 91.62 O
116
+ ATOM 115 OD2 ASP A 15 0.967 9.258 5.148 1.00 91.62 O
117
+ ATOM 116 N LEU A 16 -2.469 5.402 6.371 1.00 89.69 N
118
+ ATOM 117 CA LEU A 16 -3.846 5.086 6.734 1.00 89.69 C
119
+ ATOM 118 C LEU A 16 -3.945 4.707 8.203 1.00 89.69 C
120
+ ATOM 119 CB LEU A 16 -4.379 3.945 5.863 1.00 89.69 C
121
+ ATOM 120 O LEU A 16 -4.906 5.074 8.883 1.00 89.69 O
122
+ ATOM 121 CG LEU A 16 -4.629 4.277 4.391 1.00 89.69 C
123
+ ATOM 122 CD1 LEU A 16 -4.918 3.002 3.602 1.00 89.69 C
124
+ ATOM 123 CD2 LEU A 16 -5.781 5.266 4.250 1.00 89.69 C
125
+ ATOM 124 N MET A 17 -2.932 4.059 8.711 1.00 87.31 N
126
+ ATOM 125 CA MET A 17 -2.904 3.633 10.109 1.00 87.31 C
127
+ ATOM 126 C MET A 17 -2.639 4.816 11.031 1.00 87.31 C
128
+ ATOM 127 CB MET A 17 -1.841 2.553 10.320 1.00 87.31 C
129
+ ATOM 128 O MET A 17 -3.105 4.832 12.172 1.00 87.31 O
130
+ ATOM 129 CG MET A 17 -2.240 1.187 9.789 1.00 87.31 C
131
+ ATOM 130 SD MET A 17 -1.193 -0.162 10.461 1.00 87.31 S
132
+ ATOM 131 CE MET A 17 -1.484 -1.446 9.211 1.00 87.31 C
133
+ ATOM 132 N THR A 18 -1.964 5.840 10.508 1.00 90.81 N
134
+ ATOM 133 CA THR A 18 -1.627 7.027 11.289 1.00 90.81 C
135
+ ATOM 134 C THR A 18 -2.809 7.988 11.344 1.00 90.81 C
136
+ ATOM 135 CB THR A 18 -0.400 7.750 10.703 1.00 90.81 C
137
+ ATOM 136 O THR A 18 -2.822 8.914 12.164 1.00 90.81 O
138
+ ATOM 137 CG2 THR A 18 0.828 6.844 10.711 1.00 90.81 C
139
+ ATOM 138 OG1 THR A 18 -0.682 8.141 9.359 1.00 90.81 O
140
+ ATOM 139 N GLY A 19 -3.846 7.703 10.688 1.00 88.12 N
141
+ ATOM 140 CA GLY A 19 -5.016 8.570 10.695 1.00 88.12 C
142
+ ATOM 141 C GLY A 19 -5.305 9.195 9.344 1.00 88.12 C
143
+ ATOM 142 O GLY A 19 -6.133 10.102 9.234 1.00 88.12 O
144
+ ATOM 143 N LYS A 20 -4.492 8.859 8.414 1.00 90.38 N
145
+ ATOM 144 CA LYS A 20 -4.734 9.383 7.070 1.00 90.38 C
146
+ ATOM 145 C LYS A 20 -5.961 8.727 6.441 1.00 90.38 C
147
+ ATOM 146 CB LYS A 20 -3.510 9.164 6.180 1.00 90.38 C
148
+ ATOM 147 O LYS A 20 -6.270 7.570 6.730 1.00 90.38 O
149
+ ATOM 148 CG LYS A 20 -3.447 10.094 4.980 1.00 90.38 C
150
+ ATOM 149 CD LYS A 20 -2.068 10.078 4.332 1.00 90.38 C
151
+ ATOM 150 CE LYS A 20 -1.903 11.219 3.338 1.00 90.38 C
152
+ ATOM 151 NZ LYS A 20 -1.668 10.719 1.950 1.00 90.38 N
153
+ ATOM 152 N ARG A 21 -6.738 9.516 5.711 1.00 88.19 N
154
+ ATOM 153 CA ARG A 21 -7.965 9.055 5.074 1.00 88.19 C
155
+ ATOM 154 C ARG A 21 -7.684 8.523 3.670 1.00 88.19 C
156
+ ATOM 155 CB ARG A 21 -9.000 10.180 5.008 1.00 88.19 C
157
+ ATOM 156 O ARG A 21 -8.352 7.594 3.209 1.00 88.19 O
158
+ ATOM 157 CG ARG A 21 -9.477 10.648 6.371 1.00 88.19 C
159
+ ATOM 158 CD ARG A 21 -10.508 11.766 6.254 1.00 88.19 C
160
+ ATOM 159 NE ARG A 21 -11.844 11.305 6.613 1.00 88.19 N
161
+ ATOM 160 NH1 ARG A 21 -12.797 13.414 6.574 1.00 88.19 N
162
+ ATOM 161 NH2 ARG A 21 -14.078 11.578 7.090 1.00 88.19 N
163
+ ATOM 162 CZ ARG A 21 -12.906 12.102 6.758 1.00 88.19 C
164
+ ATOM 163 N VAL A 22 -6.598 9.016 3.098 1.00 90.50 N
165
+ ATOM 164 CA VAL A 22 -6.266 8.633 1.729 1.00 90.50 C
166
+ ATOM 165 C VAL A 22 -4.754 8.500 1.578 1.00 90.50 C
167
+ ATOM 166 CB VAL A 22 -6.820 9.648 0.706 1.00 90.50 C
168
+ ATOM 167 O VAL A 22 -4.004 9.367 2.039 1.00 90.50 O
169
+ ATOM 168 CG1 VAL A 22 -6.438 9.242 -0.717 1.00 90.50 C
170
+ ATOM 169 CG2 VAL A 22 -8.336 9.766 0.841 1.00 90.50 C
171
+ ATOM 170 N ALA A 23 -4.328 7.422 1.087 1.00 90.31 N
172
+ ATOM 171 CA ALA A 23 -2.914 7.207 0.785 1.00 90.31 C
173
+ ATOM 172 C ALA A 23 -2.709 6.910 -0.698 1.00 90.31 C
174
+ ATOM 173 CB ALA A 23 -2.357 6.066 1.635 1.00 90.31 C
175
+ ATOM 174 O ALA A 23 -3.564 6.293 -1.337 1.00 90.31 O
176
+ ATOM 175 N THR A 24 -1.598 7.441 -1.213 1.00 89.88 N
177
+ ATOM 176 CA THR A 24 -1.292 7.266 -2.629 1.00 89.88 C
178
+ ATOM 177 C THR A 24 -0.156 6.266 -2.816 1.00 89.88 C
179
+ ATOM 178 CB THR A 24 -0.915 8.609 -3.289 1.00 89.88 C
180
+ ATOM 179 O THR A 24 0.875 6.355 -2.148 1.00 89.88 O
181
+ ATOM 180 CG2 THR A 24 -0.820 8.469 -4.805 1.00 89.88 C
182
+ ATOM 181 OG1 THR A 24 -1.911 9.586 -2.973 1.00 89.88 O
183
+ ATOM 182 N VAL A 25 -0.440 5.293 -3.596 1.00 88.25 N
184
+ ATOM 183 CA VAL A 25 0.579 4.297 -3.910 1.00 88.25 C
185
+ ATOM 184 C VAL A 25 0.900 4.340 -5.402 1.00 88.25 C
186
+ ATOM 185 CB VAL A 25 0.128 2.877 -3.502 1.00 88.25 C
187
+ ATOM 186 O VAL A 25 0.022 4.609 -6.227 1.00 88.25 O
188
+ ATOM 187 CG1 VAL A 25 1.185 1.843 -3.889 1.00 88.25 C
189
+ ATOM 188 CG2 VAL A 25 -0.157 2.818 -2.002 1.00 88.25 C
190
+ ATOM 189 N GLN A 26 2.225 4.188 -5.766 1.00 83.62 N
191
+ ATOM 190 CA GLN A 26 2.684 4.152 -7.148 1.00 83.62 C
192
+ ATOM 191 C GLN A 26 2.707 2.727 -7.688 1.00 83.62 C
193
+ ATOM 192 CB GLN A 26 4.070 4.785 -7.270 1.00 83.62 C
194
+ ATOM 193 O GLN A 26 3.428 1.873 -7.164 1.00 83.62 O
195
+ ATOM 194 CG GLN A 26 4.098 6.277 -6.977 1.00 83.62 C
196
+ ATOM 195 CD GLN A 26 5.277 6.984 -7.621 1.00 83.62 C
197
+ ATOM 196 NE2 GLN A 26 6.430 6.934 -6.961 1.00 83.62 N
198
+ ATOM 197 OE1 GLN A 26 5.152 7.566 -8.703 1.00 83.62 O
199
+ ATOM 198 N LYS A 27 1.796 2.523 -8.586 1.00 79.50 N
200
+ ATOM 199 CA LYS A 27 1.709 1.222 -9.242 1.00 79.50 C
201
+ ATOM 200 C LYS A 27 2.014 1.338 -10.734 1.00 79.50 C
202
+ ATOM 201 CB LYS A 27 0.324 0.607 -9.039 1.00 79.50 C
203
+ ATOM 202 O LYS A 27 1.356 2.096 -11.453 1.00 79.50 O
204
+ ATOM 203 CG LYS A 27 0.193 -0.814 -9.562 1.00 79.50 C
205
+ ATOM 204 CD LYS A 27 -1.181 -1.398 -9.258 1.00 79.50 C
206
+ ATOM 205 CE LYS A 27 -1.300 -2.834 -9.750 1.00 79.50 C
207
+ ATOM 206 NZ LYS A 27 -2.666 -3.391 -9.516 1.00 79.50 N
208
+ ATOM 207 N ASP A 28 3.215 0.752 -11.156 1.00 77.38 N
209
+ ATOM 208 CA ASP A 28 3.529 0.652 -12.570 1.00 77.38 C
210
+ ATOM 209 C ASP A 28 3.574 2.031 -13.227 1.00 77.38 C
211
+ ATOM 210 CB ASP A 28 2.508 -0.234 -13.289 1.00 77.38 C
212
+ ATOM 211 O ASP A 28 3.139 2.199 -14.367 1.00 77.38 O
213
+ ATOM 212 CG ASP A 28 3.107 -1.016 -14.445 1.00 77.38 C
214
+ ATOM 213 OD1 ASP A 28 2.965 -0.586 -15.609 1.00 77.38 O
215
+ ATOM 214 OD2 ASP A 28 3.725 -2.072 -14.188 1.00 77.38 O
216
+ ATOM 215 N GLY A 29 3.877 3.080 -12.414 1.00 82.00 N
217
+ ATOM 216 CA GLY A 29 3.930 4.438 -12.938 1.00 82.00 C
218
+ ATOM 217 C GLY A 29 2.631 5.199 -12.750 1.00 82.00 C
219
+ ATOM 218 O GLY A 29 2.482 6.316 -13.250 1.00 82.00 O
220
+ ATOM 219 N ARG A 30 1.693 4.441 -12.242 1.00 86.00 N
221
+ ATOM 220 CA ARG A 30 0.410 5.078 -11.961 1.00 86.00 C
222
+ ATOM 221 C ARG A 30 0.191 5.242 -10.461 1.00 86.00 C
223
+ ATOM 222 CB ARG A 30 -0.736 4.273 -12.578 1.00 86.00 C
224
+ ATOM 223 O ARG A 30 0.558 4.363 -9.680 1.00 86.00 O
225
+ ATOM 224 CG ARG A 30 -2.107 4.898 -12.375 1.00 86.00 C
226
+ ATOM 225 CD ARG A 30 -3.180 4.176 -13.180 1.00 86.00 C
227
+ ATOM 226 NE ARG A 30 -4.449 4.898 -13.156 1.00 86.00 N
228
+ ATOM 227 NH1 ARG A 30 -5.539 3.445 -14.578 1.00 86.00 N
229
+ ATOM 228 NH2 ARG A 30 -6.641 5.270 -13.734 1.00 86.00 N
230
+ ATOM 229 CZ ARG A 30 -5.539 4.535 -13.820 1.00 86.00 C
231
+ ATOM 230 N ARG A 31 -0.244 6.434 -10.164 1.00 86.62 N
232
+ ATOM 231 CA ARG A 31 -0.568 6.742 -8.773 1.00 86.62 C
233
+ ATOM 232 C ARG A 31 -1.964 6.246 -8.414 1.00 86.62 C
234
+ ATOM 233 CB ARG A 31 -0.466 8.250 -8.523 1.00 86.62 C
235
+ ATOM 234 O ARG A 31 -2.943 6.598 -9.078 1.00 86.62 O
236
+ ATOM 235 CG ARG A 31 0.957 8.781 -8.562 1.00 86.62 C
237
+ ATOM 236 CD ARG A 31 1.005 10.281 -8.273 1.00 86.62 C
238
+ ATOM 237 NE ARG A 31 2.375 10.781 -8.266 1.00 86.62 N
239
+ ATOM 238 NH1 ARG A 31 1.776 13.000 -8.047 1.00 86.62 N
240
+ ATOM 239 NH2 ARG A 31 3.988 12.414 -8.172 1.00 86.62 N
241
+ ATOM 240 CZ ARG A 31 2.711 12.062 -8.164 1.00 86.62 C
242
+ ATOM 241 N VAL A 32 -1.991 5.289 -7.488 1.00 87.88 N
243
+ ATOM 242 CA VAL A 32 -3.262 4.762 -7.000 1.00 87.88 C
244
+ ATOM 243 C VAL A 32 -3.518 5.266 -5.582 1.00 87.88 C
245
+ ATOM 244 CB VAL A 32 -3.283 3.217 -7.031 1.00 87.88 C
246
+ ATOM 245 O VAL A 32 -2.648 5.164 -4.715 1.00 87.88 O
247
+ ATOM 246 CG1 VAL A 32 -4.645 2.689 -6.578 1.00 87.88 C
248
+ ATOM 247 CG2 VAL A 32 -2.947 2.705 -8.430 1.00 87.88 C
249
+ ATOM 248 N GLU A 33 -4.691 5.836 -5.355 1.00 90.81 N
250
+ ATOM 249 CA GLU A 33 -5.070 6.352 -4.047 1.00 90.81 C
251
+ ATOM 250 C GLU A 33 -5.906 5.336 -3.273 1.00 90.81 C
252
+ ATOM 251 CB GLU A 33 -5.844 7.668 -4.188 1.00 90.81 C
253
+ ATOM 252 O GLU A 33 -6.887 4.801 -3.799 1.00 90.81 O
254
+ ATOM 253 CG GLU A 33 -5.008 8.812 -4.742 1.00 90.81 C
255
+ ATOM 254 CD GLU A 33 -5.809 10.086 -4.961 1.00 90.81 C
256
+ ATOM 255 OE1 GLU A 33 -5.840 10.945 -4.051 1.00 90.81 O
257
+ ATOM 256 OE2 GLU A 33 -6.410 10.227 -6.047 1.00 90.81 O
258
+ ATOM 257 N PHE A 34 -5.398 5.020 -2.162 1.00 90.06 N
259
+ ATOM 258 CA PHE A 34 -6.113 4.102 -1.280 1.00 90.06 C
260
+ ATOM 259 C PHE A 34 -6.723 4.852 -0.101 1.00 90.06 C
261
+ ATOM 260 CB PHE A 34 -5.176 3.002 -0.774 1.00 90.06 C
262
+ ATOM 261 O PHE A 34 -6.176 5.859 0.353 1.00 90.06 O
263
+ ATOM 262 CG PHE A 34 -4.797 1.995 -1.826 1.00 90.06 C
264
+ ATOM 263 CD1 PHE A 34 -5.570 0.857 -2.027 1.00 90.06 C
265
+ ATOM 264 CD2 PHE A 34 -3.672 2.186 -2.615 1.00 90.06 C
266
+ ATOM 265 CE1 PHE A 34 -5.223 -0.077 -3.000 1.00 90.06 C
267
+ ATOM 266 CE2 PHE A 34 -3.320 1.257 -3.590 1.00 90.06 C
268
+ ATOM 267 CZ PHE A 34 -4.098 0.126 -3.781 1.00 90.06 C
269
+ ATOM 268 N THR A 35 -7.926 4.410 0.247 1.00 91.12 N
270
+ ATOM 269 CA THR A 35 -8.633 5.023 1.368 1.00 91.12 C
271
+ ATOM 270 C THR A 35 -8.719 4.059 2.547 1.00 91.12 C
272
+ ATOM 271 CB THR A 35 -10.047 5.473 0.963 1.00 91.12 C
273
+ ATOM 272 O THR A 35 -8.383 2.881 2.414 1.00 91.12 O
274
+ ATOM 273 CG2 THR A 35 -10.000 6.445 -0.210 1.00 91.12 C
275
+ ATOM 274 OG1 THR A 35 -10.812 4.324 0.587 1.00 91.12 O
276
+ ATOM 275 N ALA A 36 -9.055 4.539 3.654 1.00 86.81 N
277
+ ATOM 276 CA ALA A 36 -9.164 3.789 4.902 1.00 86.81 C
278
+ ATOM 277 C ALA A 36 -10.117 2.604 4.754 1.00 86.81 C
279
+ ATOM 278 CB ALA A 36 -9.641 4.703 6.031 1.00 86.81 C
280
+ ATOM 279 O ALA A 36 -9.969 1.592 5.441 1.00 86.81 O
281
+ ATOM 280 N THR A 37 -11.047 2.723 3.865 1.00 89.31 N
282
+ ATOM 281 CA THR A 37 -12.016 1.654 3.633 1.00 89.31 C
283
+ ATOM 282 C THR A 37 -11.359 0.479 2.914 1.00 89.31 C
284
+ ATOM 283 CB THR A 37 -13.219 2.156 2.811 1.00 89.31 C
285
+ ATOM 284 O THR A 37 -11.781 -0.667 3.072 1.00 89.31 O
286
+ ATOM 285 CG2 THR A 37 -14.023 3.189 3.590 1.00 89.31 C
287
+ ATOM 286 OG1 THR A 37 -12.742 2.750 1.597 1.00 89.31 O
288
+ ATOM 287 N SER A 38 -10.328 0.769 2.137 1.00 88.19 N
289
+ ATOM 288 CA SER A 38 -9.672 -0.264 1.342 1.00 88.19 C
290
+ ATOM 289 C SER A 38 -8.344 -0.685 1.970 1.00 88.19 C
291
+ ATOM 290 CB SER A 38 -9.430 0.226 -0.087 1.00 88.19 C
292
+ ATOM 291 O SER A 38 -7.488 -1.262 1.296 1.00 88.19 O
293
+ ATOM 292 OG SER A 38 -9.016 -0.839 -0.922 1.00 88.19 O
294
+ ATOM 293 N VAL A 39 -8.141 -0.281 3.244 1.00 88.19 N
295
+ ATOM 294 CA VAL A 39 -6.891 -0.575 3.934 1.00 88.19 C
296
+ ATOM 295 C VAL A 39 -6.680 -2.086 3.998 1.00 88.19 C
297
+ ATOM 296 CB VAL A 39 -6.871 0.027 5.355 1.00 88.19 C
298
+ ATOM 297 O VAL A 39 -5.555 -2.568 3.846 1.00 88.19 O
299
+ ATOM 298 CG1 VAL A 39 -7.445 -0.963 6.367 1.00 88.19 C
300
+ ATOM 299 CG2 VAL A 39 -5.449 0.430 5.746 1.00 88.19 C
301
+ ATOM 300 N SER A 40 -7.832 -2.795 4.297 1.00 90.44 N
302
+ ATOM 301 CA SER A 40 -7.738 -4.250 4.344 1.00 90.44 C
303
+ ATOM 302 C SER A 40 -7.262 -4.816 3.008 1.00 90.44 C
304
+ ATOM 303 CB SER A 40 -9.094 -4.863 4.711 1.00 90.44 C
305
+ ATOM 304 O SER A 40 -6.434 -5.727 2.977 1.00 90.44 O
306
+ ATOM 305 OG SER A 40 -9.594 -4.293 5.906 1.00 90.44 O
307
+ ATOM 306 N ASP A 41 -7.836 -4.254 1.930 1.00 90.06 N
308
+ ATOM 307 CA ASP A 41 -7.441 -4.660 0.584 1.00 90.06 C
309
+ ATOM 308 C ASP A 41 -5.988 -4.285 0.299 1.00 90.06 C
310
+ ATOM 309 CB ASP A 41 -8.367 -4.023 -0.459 1.00 90.06 C
311
+ ATOM 310 O ASP A 41 -5.250 -5.062 -0.305 1.00 90.06 O
312
+ ATOM 311 CG ASP A 41 -8.195 -4.621 -1.845 1.00 90.06 C
313
+ ATOM 312 OD1 ASP A 41 -7.484 -4.020 -2.684 1.00 90.06 O
314
+ ATOM 313 OD2 ASP A 41 -8.773 -5.699 -2.100 1.00 90.06 O
315
+ ATOM 314 N LEU A 42 -5.625 -3.066 0.815 1.00 89.56 N
316
+ ATOM 315 CA LEU A 42 -4.262 -2.578 0.641 1.00 89.56 C
317
+ ATOM 316 C LEU A 42 -3.264 -3.492 1.341 1.00 89.56 C
318
+ ATOM 317 CB LEU A 42 -4.133 -1.151 1.183 1.00 89.56 C
319
+ ATOM 318 O LEU A 42 -2.230 -3.846 0.767 1.00 89.56 O
320
+ ATOM 319 CG LEU A 42 -2.750 -0.504 1.061 1.00 89.56 C
321
+ ATOM 320 CD1 LEU A 42 -2.324 -0.436 -0.402 1.00 89.56 C
322
+ ATOM 321 CD2 LEU A 42 -2.754 0.886 1.688 1.00 89.56 C
323
+ ATOM 322 N LYS A 43 -3.613 -3.977 2.547 1.00 91.19 N
324
+ ATOM 323 CA LYS A 43 -2.766 -4.883 3.316 1.00 91.19 C
325
+ ATOM 324 C LYS A 43 -2.572 -6.207 2.586 1.00 91.19 C
326
+ ATOM 325 CB LYS A 43 -3.363 -5.133 4.703 1.00 91.19 C
327
+ ATOM 326 O LYS A 43 -1.459 -6.734 2.529 1.00 91.19 O
328
+ ATOM 327 CG LYS A 43 -3.162 -3.982 5.680 1.00 91.19 C
329
+ ATOM 328 CD LYS A 43 -3.764 -4.297 7.043 1.00 91.19 C
330
+ ATOM 329 CE LYS A 43 -3.562 -3.146 8.023 1.00 91.19 C
331
+ ATOM 330 NZ LYS A 43 -4.031 -3.498 9.391 1.00 91.19 N
332
+ ATOM 331 N LYS A 44 -3.678 -6.688 2.127 1.00 91.88 N
333
+ ATOM 332 CA LYS A 44 -3.631 -7.938 1.372 1.00 91.88 C
334
+ ATOM 333 C LYS A 44 -2.793 -7.781 0.105 1.00 91.88 C
335
+ ATOM 334 CB LYS A 44 -5.043 -8.406 1.014 1.00 91.88 C
336
+ ATOM 335 O LYS A 44 -2.008 -8.672 -0.238 1.00 91.88 O
337
+ ATOM 336 CG LYS A 44 -5.816 -8.992 2.184 1.00 91.88 C
338
+ ATOM 337 CD LYS A 44 -7.207 -9.453 1.762 1.00 91.88 C
339
+ ATOM 338 CE LYS A 44 -8.016 -9.953 2.951 1.00 91.88 C
340
+ ATOM 339 NZ LYS A 44 -9.438 -10.211 2.580 1.00 91.88 N
341
+ ATOM 340 N TYR A 45 -2.990 -6.691 -0.495 1.00 87.12 N
342
+ ATOM 341 CA TYR A 45 -2.264 -6.387 -1.723 1.00 87.12 C
343
+ ATOM 342 C TYR A 45 -0.766 -6.293 -1.460 1.00 87.12 C
344
+ ATOM 343 CB TYR A 45 -2.770 -5.074 -2.334 1.00 87.12 C
345
+ ATOM 344 O TYR A 45 0.037 -6.867 -2.199 1.00 87.12 O
346
+ ATOM 345 CG TYR A 45 -2.049 -4.680 -3.602 1.00 87.12 C
347
+ ATOM 346 CD1 TYR A 45 -1.169 -3.602 -3.617 1.00 87.12 C
348
+ ATOM 347 CD2 TYR A 45 -2.250 -5.383 -4.785 1.00 87.12 C
349
+ ATOM 348 CE1 TYR A 45 -0.505 -3.232 -4.781 1.00 87.12 C
350
+ ATOM 349 CE2 TYR A 45 -1.591 -5.023 -5.953 1.00 87.12 C
351
+ ATOM 350 OH TYR A 45 -0.067 -3.586 -7.102 1.00 87.12 O
352
+ ATOM 351 CZ TYR A 45 -0.722 -3.947 -5.945 1.00 87.12 C
353
+ ATOM 352 N ILE A 46 -0.388 -5.613 -0.450 1.00 90.00 N
354
+ ATOM 353 CA ILE A 46 1.010 -5.453 -0.067 1.00 90.00 C
355
+ ATOM 354 C ILE A 46 1.620 -6.816 0.249 1.00 90.00 C
356
+ ATOM 355 CB ILE A 46 1.158 -4.504 1.146 1.00 90.00 C
357
+ ATOM 356 O ILE A 46 2.740 -7.113 -0.170 1.00 90.00 O
358
+ ATOM 357 CG1 ILE A 46 0.739 -3.080 0.765 1.00 90.00 C
359
+ ATOM 358 CG2 ILE A 46 2.594 -4.531 1.679 1.00 90.00 C
360
+ ATOM 359 CD1 ILE A 46 0.569 -2.146 1.955 1.00 90.00 C
361
+ ATOM 360 N ALA A 47 0.861 -7.633 0.990 1.00 90.81 N
362
+ ATOM 361 CA ALA A 47 1.328 -8.969 1.354 1.00 90.81 C
363
+ ATOM 362 C ALA A 47 1.551 -9.828 0.112 1.00 90.81 C
364
+ ATOM 363 CB ALA A 47 0.332 -9.641 2.293 1.00 90.81 C
365
+ ATOM 364 O ALA A 47 2.551 -10.539 0.016 1.00 90.81 O
366
+ ATOM 365 N GLU A 48 0.636 -9.719 -0.789 1.00 88.94 N
367
+ ATOM 366 CA GLU A 48 0.727 -10.484 -2.025 1.00 88.94 C
368
+ ATOM 367 C GLU A 48 1.898 -10.016 -2.883 1.00 88.94 C
369
+ ATOM 368 CB GLU A 48 -0.579 -10.391 -2.818 1.00 88.94 C
370
+ ATOM 369 O GLU A 48 2.627 -10.836 -3.451 1.00 88.94 O
371
+ ATOM 370 CG GLU A 48 -0.691 -11.398 -3.947 1.00 88.94 C
372
+ ATOM 371 CD GLU A 48 -1.861 -11.133 -4.879 1.00 88.94 C
373
+ ATOM 372 OE1 GLU A 48 -1.667 -10.461 -5.922 1.00 88.94 O
374
+ ATOM 373 OE2 GLU A 48 -2.982 -11.594 -4.570 1.00 88.94 O
375
+ ATOM 374 N LEU A 49 2.029 -8.703 -2.922 1.00 85.31 N
376
+ ATOM 375 CA LEU A 49 3.113 -8.117 -3.701 1.00 85.31 C
377
+ ATOM 376 C LEU A 49 4.469 -8.469 -3.094 1.00 85.31 C
378
+ ATOM 377 CB LEU A 49 2.951 -6.602 -3.787 1.00 85.31 C
379
+ ATOM 378 O LEU A 49 5.430 -8.734 -3.818 1.00 85.31 O
380
+ ATOM 379 CG LEU A 49 1.976 -6.082 -4.844 1.00 85.31 C
381
+ ATOM 380 CD1 LEU A 49 1.727 -4.590 -4.648 1.00 85.31 C
382
+ ATOM 381 CD2 LEU A 49 2.508 -6.359 -6.246 1.00 85.31 C
383
+ ATOM 382 N GLU A 50 4.582 -8.477 -1.779 1.00 86.62 N
384
+ ATOM 383 CA GLU A 50 5.793 -8.844 -1.052 1.00 86.62 C
385
+ ATOM 384 C GLU A 50 6.184 -10.289 -1.328 1.00 86.62 C
386
+ ATOM 385 CB GLU A 50 5.602 -8.625 0.452 1.00 86.62 C
387
+ ATOM 386 O GLU A 50 7.367 -10.602 -1.465 1.00 86.62 O
388
+ ATOM 387 CG GLU A 50 5.727 -7.172 0.886 1.00 86.62 C
389
+ ATOM 388 CD GLU A 50 5.754 -6.996 2.396 1.00 86.62 C
390
+ ATOM 389 OE1 GLU A 50 6.859 -6.957 2.982 1.00 86.62 O
391
+ ATOM 390 OE2 GLU A 50 4.660 -6.902 2.996 1.00 86.62 O
392
+ ATOM 391 N VAL A 51 5.203 -11.055 -1.378 1.00 87.88 N
393
+ ATOM 392 CA VAL A 51 5.430 -12.477 -1.638 1.00 87.88 C
394
+ ATOM 393 C VAL A 51 5.910 -12.664 -3.074 1.00 87.88 C
395
+ ATOM 394 CB VAL A 51 4.156 -13.312 -1.383 1.00 87.88 C
396
+ ATOM 395 O VAL A 51 6.809 -13.469 -3.334 1.00 87.88 O
397
+ ATOM 396 CG1 VAL A 51 4.363 -14.758 -1.825 1.00 87.88 C
398
+ ATOM 397 CG2 VAL A 51 3.764 -13.250 0.092 1.00 87.88 C
399
+ ATOM 398 N GLN A 52 5.406 -11.906 -3.947 1.00 82.19 N
400
+ ATOM 399 CA GLN A 52 5.742 -12.039 -5.363 1.00 82.19 C
401
+ ATOM 400 C GLN A 52 7.121 -11.461 -5.656 1.00 82.19 C
402
+ ATOM 401 CB GLN A 52 4.688 -11.344 -6.227 1.00 82.19 C
403
+ ATOM 402 O GLN A 52 7.867 -12.000 -6.477 1.00 82.19 O
404
+ ATOM 403 CG GLN A 52 3.344 -12.055 -6.254 1.00 82.19 C
405
+ ATOM 404 CD GLN A 52 2.400 -11.500 -7.301 1.00 82.19 C
406
+ ATOM 405 NE2 GLN A 52 1.850 -12.375 -8.133 1.00 82.19 N
407
+ ATOM 406 OE1 GLN A 52 2.168 -10.289 -7.363 1.00 82.19 O
408
+ ATOM 407 N THR A 53 7.438 -10.258 -4.949 1.00 78.81 N
409
+ ATOM 408 CA THR A 53 8.703 -9.586 -5.215 1.00 78.81 C
410
+ ATOM 409 C THR A 53 9.844 -10.250 -4.445 1.00 78.81 C
411
+ ATOM 410 CB THR A 53 8.633 -8.094 -4.844 1.00 78.81 C
412
+ ATOM 411 O THR A 53 10.977 -10.305 -4.926 1.00 78.81 O
413
+ ATOM 412 CG2 THR A 53 9.930 -7.371 -5.207 1.00 78.81 C
414
+ ATOM 413 OG1 THR A 53 7.547 -7.484 -5.555 1.00 78.81 O
415
+ ATOM 414 N GLY A 54 9.602 -10.812 -3.170 1.00 73.00 N
416
+ ATOM 415 CA GLY A 54 10.586 -11.375 -2.266 1.00 73.00 C
417
+ ATOM 416 C GLY A 54 10.883 -12.836 -2.545 1.00 73.00 C
418
+ ATOM 417 O GLY A 54 11.938 -13.352 -2.150 1.00 73.00 O
419
+ ATOM 418 N MET A 55 10.328 -13.562 -3.441 1.00 54.16 N
420
+ ATOM 419 CA MET A 55 10.797 -14.898 -3.799 1.00 54.16 C
421
+ ATOM 420 C MET A 55 11.297 -14.938 -5.238 1.00 54.16 C
422
+ ATOM 421 CB MET A 55 9.695 -15.938 -3.602 1.00 54.16 C
423
+ ATOM 422 O MET A 55 10.797 -14.195 -6.090 1.00 54.16 O
424
+ ATOM 423 CG MET A 55 9.609 -16.484 -2.188 1.00 54.16 C
425
+ ATOM 424 SD MET A 55 8.195 -17.625 -1.957 1.00 54.16 S
426
+ ATOM 425 CE MET A 55 8.602 -18.328 -0.331 1.00 54.16 C
427
+ TER 426 MET A 55
428
+ ENDMDL
429
+ END
example/HCP_LAMBD_Tsuboyama_2023_2L6Q/substitutions/HCP_LAMBD_Tsuboyama_2023_2L6Q.csv ADDED
@@ -0,0 +1,1041 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ mutant,DMS_score,DMS_score_bin
2
+ A11C,-0.1075766722854774,1
3
+ A11D,-0.630861752542033,0
4
+ A11E,-0.2531298237646959,1
5
+ A11F,-1.1307843509865976,0
6
+ A11G,-0.569721234774704,0
7
+ A11H,-0.3412163105386416,1
8
+ A11I,-0.2872368549930186,1
9
+ A11K,0.2243380760153517,1
10
+ A11L,0.0137177074272027,1
11
+ A11M,0.012868953041436,1
12
+ A11N,-0.196577846002512,1
13
+ A11P,-3.0214607751656333,0
14
+ A11Q,0.1810511378203978,1
15
+ A11R,0.2417944906910132,1
16
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example/SDA_BACSU_Tsuboyama_2023_1PV0/aa_seq/SDA_BACSU_Tsuboyama_2023_1PV0.fasta DELETED
@@ -1,2 +0,0 @@
1
- >SDA_BACSU_Tsuboyama_2023_1PV0
2
- MRKLSDELLIESYFKATEMNLNRDFIELIENEIKRRSLGHIISV
 
 
 
example/SDA_BACSU_Tsuboyama_2023_1PV0/aa_seq_aln_a2m/SDA_BACSU_Tsuboyama_2023_1PV0.a2m DELETED
The diff for this file is too large to render. See raw diff
 
example/SDA_BACSU_Tsuboyama_2023_1PV0/pdbs/SDA_BACSU_Tsuboyama_2023_1PV0.pdb DELETED
@@ -1,372 +0,0 @@
1
- MODEL 1
2
- ATOM 1 N MET A 1 14.586 7.047 5.496 1.00 56.06 N
3
- ATOM 2 CA MET A 1 13.133 6.898 5.391 1.00 56.06 C
4
- ATOM 3 C MET A 1 12.750 5.434 5.195 1.00 56.06 C
5
- ATOM 4 CB MET A 1 12.594 7.734 4.230 1.00 56.06 C
6
- ATOM 5 O MET A 1 13.375 4.723 4.406 1.00 56.06 O
7
- ATOM 6 CG MET A 1 12.500 9.219 4.539 1.00 56.06 C
8
- ATOM 7 SD MET A 1 11.977 10.211 3.086 1.00 56.06 S
9
- ATOM 8 CE MET A 1 10.258 9.664 2.930 1.00 56.06 C
10
- ATOM 9 N ARG A 2 12.492 4.758 6.324 1.00 75.62 N
11
- ATOM 10 CA ARG A 2 12.094 3.354 6.348 1.00 75.62 C
12
- ATOM 11 C ARG A 2 10.977 3.088 5.352 1.00 75.62 C
13
- ATOM 12 CB ARG A 2 11.648 2.945 7.754 1.00 75.62 C
14
- ATOM 13 O ARG A 2 9.938 3.762 5.375 1.00 75.62 O
15
- ATOM 14 CG ARG A 2 12.781 2.893 8.766 1.00 75.62 C
16
- ATOM 15 CD ARG A 2 12.336 2.277 10.086 1.00 75.62 C
17
- ATOM 16 NE ARG A 2 13.430 2.203 11.047 1.00 75.62 N
18
- ATOM 17 NH1 ARG A 2 12.070 1.813 12.875 1.00 75.62 N
19
- ATOM 18 NH2 ARG A 2 14.352 1.939 13.133 1.00 75.62 N
20
- ATOM 19 CZ ARG A 2 13.281 1.985 12.352 1.00 75.62 C
21
- ATOM 20 N LYS A 3 11.281 2.766 4.172 1.00 84.62 N
22
- ATOM 21 CA LYS A 3 10.289 2.365 3.180 1.00 84.62 C
23
- ATOM 22 C LYS A 3 9.695 1.000 3.516 1.00 84.62 C
24
- ATOM 23 CB LYS A 3 10.914 2.336 1.781 1.00 84.62 C
25
- ATOM 24 O LYS A 3 10.398 0.116 4.008 1.00 84.62 O
26
- ATOM 25 CG LYS A 3 11.227 3.713 1.216 1.00 84.62 C
27
- ATOM 26 CD LYS A 3 11.742 3.625 -0.216 1.00 84.62 C
28
- ATOM 27 CE LYS A 3 12.094 5.000 -0.770 1.00 84.62 C
29
- ATOM 28 NZ LYS A 3 12.570 4.922 -2.184 1.00 84.62 N
30
- ATOM 29 N LEU A 4 8.367 0.880 3.521 1.00 93.94 N
31
- ATOM 30 CA LEU A 4 7.715 -0.420 3.623 1.00 93.94 C
32
- ATOM 31 C LEU A 4 8.195 -1.357 2.520 1.00 93.94 C
33
- ATOM 32 CB LEU A 4 6.195 -0.262 3.551 1.00 93.94 C
34
- ATOM 33 O LEU A 4 8.438 -0.922 1.391 1.00 93.94 O
35
- ATOM 34 CG LEU A 4 5.520 0.347 4.781 1.00 93.94 C
36
- ATOM 35 CD1 LEU A 4 4.082 0.738 4.453 1.00 93.94 C
37
- ATOM 36 CD2 LEU A 4 5.559 -0.628 5.953 1.00 93.94 C
38
- ATOM 37 N SER A 5 8.492 -2.580 2.936 1.00 96.88 N
39
- ATOM 38 CA SER A 5 8.742 -3.578 1.900 1.00 96.88 C
40
- ATOM 39 C SER A 5 7.531 -3.744 0.989 1.00 96.88 C
41
- ATOM 40 CB SER A 5 9.102 -4.926 2.529 1.00 96.88 C
42
- ATOM 41 O SER A 5 6.414 -3.359 1.353 1.00 96.88 O
43
- ATOM 42 OG SER A 5 7.969 -5.516 3.141 1.00 96.88 O
44
- ATOM 43 N ASP A 6 7.754 -4.281 -0.176 1.00 97.38 N
45
- ATOM 44 CA ASP A 6 6.652 -4.516 -1.107 1.00 97.38 C
46
- ATOM 45 C ASP A 6 5.586 -5.410 -0.482 1.00 97.38 C
47
- ATOM 46 CB ASP A 6 7.172 -5.145 -2.402 1.00 97.38 C
48
- ATOM 47 O ASP A 6 4.387 -5.156 -0.636 1.00 97.38 O
49
- ATOM 48 CG ASP A 6 7.977 -4.176 -3.252 1.00 97.38 C
50
- ATOM 49 OD1 ASP A 6 8.008 -2.969 -2.932 1.00 97.38 O
51
- ATOM 50 OD2 ASP A 6 8.578 -4.625 -4.254 1.00 97.38 O
52
- ATOM 51 N GLU A 7 6.078 -6.387 0.241 1.00 97.12 N
53
- ATOM 52 CA GLU A 7 5.168 -7.340 0.871 1.00 97.12 C
54
- ATOM 53 C GLU A 7 4.293 -6.660 1.919 1.00 97.12 C
55
- ATOM 54 CB GLU A 7 5.953 -8.492 1.508 1.00 97.12 C
56
- ATOM 55 O GLU A 7 3.082 -6.879 1.961 1.00 97.12 O
57
- ATOM 56 CG GLU A 7 6.551 -9.461 0.498 1.00 97.12 C
58
- ATOM 57 CD GLU A 7 8.070 -9.492 0.522 1.00 97.12 C
59
- ATOM 58 OE1 GLU A 7 8.680 -10.164 -0.343 1.00 97.12 O
60
- ATOM 59 OE2 GLU A 7 8.656 -8.844 1.415 1.00 97.12 O
61
- ATOM 60 N LEU A 8 4.898 -5.855 2.666 1.00 98.00 N
62
- ATOM 61 CA LEU A 8 4.160 -5.172 3.725 1.00 98.00 C
63
- ATOM 62 C LEU A 8 3.199 -4.145 3.141 1.00 98.00 C
64
- ATOM 63 CB LEU A 8 5.125 -4.492 4.699 1.00 98.00 C
65
- ATOM 64 O LEU A 8 2.080 -3.982 3.633 1.00 98.00 O
66
- ATOM 65 CG LEU A 8 4.504 -3.904 5.969 1.00 98.00 C
67
- ATOM 66 CD1 LEU A 8 3.758 -4.984 6.742 1.00 98.00 C
68
- ATOM 67 CD2 LEU A 8 5.574 -3.260 6.840 1.00 98.00 C
69
- ATOM 68 N LEU A 9 3.607 -3.473 2.061 1.00 98.00 N
70
- ATOM 69 CA LEU A 9 2.758 -2.480 1.411 1.00 98.00 C
71
- ATOM 70 C LEU A 9 1.499 -3.129 0.844 1.00 98.00 C
72
- ATOM 71 CB LEU A 9 3.525 -1.767 0.295 1.00 98.00 C
73
- ATOM 72 O LEU A 9 0.389 -2.641 1.065 1.00 98.00 O
74
- ATOM 73 CG LEU A 9 2.766 -0.669 -0.455 1.00 98.00 C
75
- ATOM 74 CD1 LEU A 9 2.324 0.424 0.512 1.00 98.00 C
76
- ATOM 75 CD2 LEU A 9 3.629 -0.088 -1.569 1.00 98.00 C
77
- ATOM 76 N ILE A 10 1.701 -4.258 0.258 1.00 98.12 N
78
- ATOM 77 CA ILE A 10 0.584 -4.969 -0.352 1.00 98.12 C
79
- ATOM 78 C ILE A 10 -0.359 -5.477 0.736 1.00 98.12 C
80
- ATOM 79 CB ILE A 10 1.074 -6.145 -1.228 1.00 98.12 C
81
- ATOM 80 O ILE A 10 -1.579 -5.344 0.621 1.00 98.12 O
82
- ATOM 81 CG1 ILE A 10 1.852 -5.617 -2.439 1.00 98.12 C
83
- ATOM 82 CG2 ILE A 10 -0.104 -7.016 -1.670 1.00 98.12 C
84
- ATOM 83 CD1 ILE A 10 1.032 -4.723 -3.361 1.00 98.12 C
85
- ATOM 84 N GLU A 11 0.241 -6.000 1.775 1.00 98.12 N
86
- ATOM 85 CA GLU A 11 -0.559 -6.473 2.902 1.00 98.12 C
87
- ATOM 86 C GLU A 11 -1.374 -5.340 3.514 1.00 98.12 C
88
- ATOM 87 CB GLU A 11 0.337 -7.113 3.967 1.00 98.12 C
89
- ATOM 88 O GLU A 11 -2.547 -5.520 3.850 1.00 98.12 O
90
- ATOM 89 CG GLU A 11 -0.432 -7.762 5.109 1.00 98.12 C
91
- ATOM 90 CD GLU A 11 0.470 -8.383 6.160 1.00 98.12 C
92
- ATOM 91 OE1 GLU A 11 -0.051 -8.930 7.164 1.00 98.12 O
93
- ATOM 92 OE2 GLU A 11 1.707 -8.336 5.980 1.00 98.12 O
94
- ATOM 93 N SER A 12 -0.770 -4.281 3.635 1.00 97.75 N
95
- ATOM 94 CA SER A 12 -1.445 -3.113 4.191 1.00 97.75 C
96
- ATOM 95 C SER A 12 -2.641 -2.705 3.338 1.00 97.75 C
97
- ATOM 96 CB SER A 12 -0.473 -1.940 4.316 1.00 97.75 C
98
- ATOM 97 O SER A 12 -3.699 -2.361 3.867 1.00 97.75 O
99
- ATOM 98 OG SER A 12 0.566 -2.244 5.234 1.00 97.75 O
100
- ATOM 99 N TYR A 13 -2.443 -2.750 2.064 1.00 98.06 N
101
- ATOM 100 CA TYR A 13 -3.541 -2.424 1.160 1.00 98.06 C
102
- ATOM 101 C TYR A 13 -4.730 -3.348 1.392 1.00 98.06 C
103
- ATOM 102 CB TYR A 13 -3.082 -2.520 -0.298 1.00 98.06 C
104
- ATOM 103 O TYR A 13 -5.863 -2.885 1.550 1.00 98.06 O
105
- ATOM 104 CG TYR A 13 -4.215 -2.461 -1.296 1.00 98.06 C
106
- ATOM 105 CD1 TYR A 13 -4.672 -3.615 -1.926 1.00 98.06 C
107
- ATOM 106 CD2 TYR A 13 -4.824 -1.251 -1.609 1.00 98.06 C
108
- ATOM 107 CE1 TYR A 13 -5.715 -3.564 -2.848 1.00 98.06 C
109
- ATOM 108 CE2 TYR A 13 -5.867 -1.189 -2.529 1.00 98.06 C
110
- ATOM 109 OH TYR A 13 -7.336 -2.295 -4.051 1.00 98.06 O
111
- ATOM 110 CZ TYR A 13 -6.305 -2.350 -3.141 1.00 98.06 C
112
- ATOM 111 N PHE A 14 -4.535 -4.637 1.459 1.00 98.12 N
113
- ATOM 112 CA PHE A 14 -5.613 -5.605 1.599 1.00 98.12 C
114
- ATOM 113 C PHE A 14 -6.289 -5.473 2.959 1.00 98.12 C
115
- ATOM 114 CB PHE A 14 -5.082 -7.031 1.413 1.00 98.12 C
116
- ATOM 115 O PHE A 14 -7.516 -5.531 3.055 1.00 98.12 O
117
- ATOM 116 CG PHE A 14 -4.820 -7.398 -0.022 1.00 98.12 C
118
- ATOM 117 CD1 PHE A 14 -5.848 -7.391 -0.957 1.00 98.12 C
119
- ATOM 118 CD2 PHE A 14 -3.543 -7.754 -0.436 1.00 98.12 C
120
- ATOM 119 CE1 PHE A 14 -5.605 -7.730 -2.285 1.00 98.12 C
121
- ATOM 120 CE2 PHE A 14 -3.295 -8.094 -1.763 1.00 98.12 C
122
- ATOM 121 CZ PHE A 14 -4.328 -8.086 -2.686 1.00 98.12 C
123
- ATOM 122 N LYS A 15 -5.453 -5.238 3.908 1.00 98.19 N
124
- ATOM 123 CA LYS A 15 -6.020 -5.082 5.246 1.00 98.19 C
125
- ATOM 124 C LYS A 15 -6.883 -3.828 5.336 1.00 98.19 C
126
- ATOM 125 CB LYS A 15 -4.906 -5.027 6.293 1.00 98.19 C
127
- ATOM 126 O LYS A 15 -7.977 -3.861 5.906 1.00 98.19 O
128
- ATOM 127 CG LYS A 15 -4.328 -6.387 6.652 1.00 98.19 C
129
- ATOM 128 CD LYS A 15 -3.342 -6.289 7.812 1.00 98.19 C
130
- ATOM 129 CE LYS A 15 -2.762 -7.648 8.172 1.00 98.19 C
131
- ATOM 130 NZ LYS A 15 -1.938 -7.586 9.414 1.00 98.19 N
132
- ATOM 131 N ALA A 16 -6.328 -2.787 4.805 1.00 98.00 N
133
- ATOM 132 CA ALA A 16 -7.055 -1.522 4.848 1.00 98.00 C
134
- ATOM 133 C ALA A 16 -8.391 -1.634 4.109 1.00 98.00 C
135
- ATOM 134 CB ALA A 16 -6.211 -0.401 4.246 1.00 98.00 C
136
- ATOM 135 O ALA A 16 -9.406 -1.121 4.574 1.00 98.00 O
137
- ATOM 136 N THR A 17 -8.383 -2.324 3.010 1.00 97.25 N
138
- ATOM 137 CA THR A 17 -9.609 -2.514 2.232 1.00 97.25 C
139
- ATOM 138 C THR A 17 -10.578 -3.426 2.971 1.00 97.25 C
140
- ATOM 139 CB THR A 17 -9.297 -3.105 0.845 1.00 97.25 C
141
- ATOM 140 O THR A 17 -11.789 -3.186 2.967 1.00 97.25 O
142
- ATOM 141 CG2 THR A 17 -8.445 -2.148 0.018 1.00 97.25 C
143
- ATOM 142 OG1 THR A 17 -8.594 -4.340 1.005 1.00 97.25 O
144
- ATOM 143 N GLU A 18 -10.023 -4.449 3.564 1.00 98.06 N
145
- ATOM 144 CA GLU A 18 -10.828 -5.395 4.324 1.00 98.06 C
146
- ATOM 145 C GLU A 18 -11.500 -4.719 5.520 1.00 98.06 C
147
- ATOM 146 CB GLU A 18 -9.977 -6.574 4.797 1.00 98.06 C
148
- ATOM 147 O GLU A 18 -12.648 -5.012 5.844 1.00 98.06 O
149
- ATOM 148 CG GLU A 18 -10.766 -7.656 5.520 1.00 98.06 C
150
- ATOM 149 CD GLU A 18 -9.898 -8.797 6.027 1.00 98.06 C
151
- ATOM 150 OE1 GLU A 18 -10.398 -9.938 6.133 1.00 98.06 O
152
- ATOM 151 OE2 GLU A 18 -8.711 -8.547 6.324 1.00 98.06 O
153
- ATOM 152 N MET A 19 -10.875 -3.812 6.059 1.00 98.25 N
154
- ATOM 153 CA MET A 19 -11.375 -3.139 7.254 1.00 98.25 C
155
- ATOM 154 C MET A 19 -12.180 -1.900 6.887 1.00 98.25 C
156
- ATOM 155 CB MET A 19 -10.211 -2.750 8.172 1.00 98.25 C
157
- ATOM 156 O MET A 19 -12.656 -1.183 7.766 1.00 98.25 O
158
- ATOM 157 CG MET A 19 -9.445 -3.939 8.727 1.00 98.25 C
159
- ATOM 158 SD MET A 19 -7.969 -3.436 9.695 1.00 98.25 S
160
- ATOM 159 CE MET A 19 -8.773 -2.816 11.203 1.00 98.25 C
161
- ATOM 160 N ASN A 20 -12.320 -1.711 5.609 1.00 96.62 N
162
- ATOM 161 CA ASN A 20 -13.055 -0.567 5.078 1.00 96.62 C
163
- ATOM 162 C ASN A 20 -12.578 0.742 5.703 1.00 96.62 C
164
- ATOM 163 CB ASN A 20 -14.562 -0.744 5.301 1.00 96.62 C
165
- ATOM 164 O ASN A 20 -13.391 1.564 6.129 1.00 96.62 O
166
- ATOM 165 CG ASN A 20 -15.180 -1.727 4.328 1.00 96.62 C
167
- ATOM 166 ND2 ASN A 20 -16.109 -2.541 4.820 1.00 96.62 N
168
- ATOM 167 OD1 ASN A 20 -14.836 -1.755 3.146 1.00 96.62 O
169
- ATOM 168 N LEU A 21 -11.266 0.830 5.723 1.00 96.69 N
170
- ATOM 169 CA LEU A 21 -10.719 2.055 6.297 1.00 96.69 C
171
- ATOM 170 C LEU A 21 -10.969 3.246 5.375 1.00 96.69 C
172
- ATOM 171 CB LEU A 21 -9.219 1.902 6.551 1.00 96.69 C
173
- ATOM 172 O LEU A 21 -11.547 3.090 4.297 1.00 96.69 O
174
- ATOM 173 CG LEU A 21 -8.805 0.834 7.566 1.00 96.69 C
175
- ATOM 174 CD1 LEU A 21 -7.293 0.856 7.777 1.00 96.69 C
176
- ATOM 175 CD2 LEU A 21 -9.539 1.042 8.883 1.00 96.69 C
177
- ATOM 176 N ASN A 22 -10.523 4.359 5.727 1.00 96.56 N
178
- ATOM 177 CA ASN A 22 -10.742 5.609 5.008 1.00 96.56 C
179
- ATOM 178 C ASN A 22 -10.242 5.523 3.568 1.00 96.56 C
180
- ATOM 179 CB ASN A 22 -10.062 6.773 5.738 1.00 96.56 C
181
- ATOM 180 O ASN A 22 -9.125 5.078 3.322 1.00 96.56 O
182
- ATOM 181 CG ASN A 22 -10.367 8.117 5.102 1.00 96.56 C
183
- ATOM 182 ND2 ASN A 22 -10.984 9.008 5.863 1.00 96.56 N
184
- ATOM 183 OD1 ASN A 22 -10.047 8.344 3.932 1.00 96.56 O
185
- ATOM 184 N ARG A 23 -11.047 6.012 2.662 1.00 96.81 N
186
- ATOM 185 CA ARG A 23 -10.727 5.973 1.238 1.00 96.81 C
187
- ATOM 186 C ARG A 23 -9.445 6.746 0.943 1.00 96.81 C
188
- ATOM 187 CB ARG A 23 -11.883 6.535 0.410 1.00 96.81 C
189
- ATOM 188 O ARG A 23 -8.656 6.344 0.091 1.00 96.81 O
190
- ATOM 189 CG ARG A 23 -11.633 6.516 -1.090 1.00 96.81 C
191
- ATOM 190 CD ARG A 23 -12.891 6.875 -1.874 1.00 96.81 C
192
- ATOM 191 NE ARG A 23 -12.680 6.746 -3.312 1.00 96.81 N
193
- ATOM 192 NH1 ARG A 23 -14.852 7.305 -3.887 1.00 96.81 N
194
- ATOM 193 NH2 ARG A 23 -13.312 6.812 -5.520 1.00 96.81 N
195
- ATOM 194 CZ ARG A 23 -13.617 6.953 -4.234 1.00 96.81 C
196
- ATOM 195 N ASP A 24 -9.266 7.863 1.590 1.00 97.75 N
197
- ATOM 196 CA ASP A 24 -8.070 8.680 1.368 1.00 97.75 C
198
- ATOM 197 C ASP A 24 -6.809 7.914 1.747 1.00 97.75 C
199
- ATOM 198 CB ASP A 24 -8.156 9.984 2.166 1.00 97.75 C
200
- ATOM 199 O ASP A 24 -5.789 8.008 1.057 1.00 97.75 O
201
- ATOM 200 CG ASP A 24 -9.219 10.930 1.637 1.00 97.75 C
202
- ATOM 201 OD1 ASP A 24 -9.641 10.789 0.469 1.00 97.75 O
203
- ATOM 202 OD2 ASP A 24 -9.633 11.836 2.393 1.00 97.75 O
204
- ATOM 203 N PHE A 25 -7.008 7.145 2.834 1.00 96.88 N
205
- ATOM 204 CA PHE A 25 -5.895 6.312 3.266 1.00 96.88 C
206
- ATOM 205 C PHE A 25 -5.598 5.227 2.236 1.00 96.88 C
207
- ATOM 206 CB PHE A 25 -6.191 5.676 4.625 1.00 96.88 C
208
- ATOM 207 O PHE A 25 -4.445 5.031 1.844 1.00 96.88 O
209
- ATOM 208 CG PHE A 25 -5.086 4.793 5.137 1.00 96.88 C
210
- ATOM 209 CD1 PHE A 25 -5.223 3.408 5.129 1.00 96.88 C
211
- ATOM 210 CD2 PHE A 25 -3.910 5.344 5.629 1.00 96.88 C
212
- ATOM 211 CE1 PHE A 25 -4.199 2.588 5.605 1.00 96.88 C
213
- ATOM 212 CE2 PHE A 25 -2.885 4.531 6.102 1.00 96.88 C
214
- ATOM 213 CZ PHE A 25 -3.033 3.154 6.090 1.00 96.88 C
215
- ATOM 214 N ILE A 26 -6.477 4.590 1.758 1.00 98.00 N
216
- ATOM 215 CA ILE A 26 -6.328 3.510 0.788 1.00 98.00 C
217
- ATOM 216 C ILE A 26 -5.750 4.062 -0.514 1.00 98.00 C
218
- ATOM 217 CB ILE A 26 -7.680 2.807 0.520 1.00 98.00 C
219
- ATOM 218 O ILE A 26 -4.887 3.436 -1.129 1.00 98.00 O
220
- ATOM 219 CG1 ILE A 26 -8.148 2.059 1.772 1.00 98.00 C
221
- ATOM 220 CG2 ILE A 26 -7.562 1.854 -0.675 1.00 98.00 C
222
- ATOM 221 CD1 ILE A 26 -9.578 1.531 1.680 1.00 98.00 C
223
- ATOM 222 N GLU A 27 -6.172 5.227 -0.824 1.00 98.06 N
224
- ATOM 223 CA GLU A 27 -5.672 5.875 -2.033 1.00 98.06 C
225
- ATOM 224 C GLU A 27 -4.180 6.172 -1.923 1.00 98.06 C
226
- ATOM 225 CB GLU A 27 -6.445 7.164 -2.311 1.00 98.06 C
227
- ATOM 226 O GLU A 27 -3.441 6.051 -2.902 1.00 98.06 O
228
- ATOM 227 CG GLU A 27 -7.777 6.945 -3.012 1.00 98.06 C
229
- ATOM 228 CD GLU A 27 -8.547 8.234 -3.264 1.00 98.06 C
230
- ATOM 229 OE1 GLU A 27 -9.703 8.172 -3.742 1.00 98.06 O
231
- ATOM 230 OE2 GLU A 27 -7.984 9.312 -2.980 1.00 98.06 O
232
- ATOM 231 N LEU A 28 -3.822 6.508 -0.751 1.00 97.94 N
233
- ATOM 232 CA LEU A 28 -2.402 6.770 -0.538 1.00 97.94 C
234
- ATOM 233 C LEU A 28 -1.575 5.512 -0.781 1.00 97.94 C
235
- ATOM 234 CB LEU A 28 -2.160 7.289 0.882 1.00 97.94 C
236
- ATOM 235 O LEU A 28 -0.516 5.574 -1.409 1.00 97.94 O
237
- ATOM 236 CG LEU A 28 -2.629 8.719 1.172 1.00 97.94 C
238
- ATOM 237 CD1 LEU A 28 -2.469 9.031 2.654 1.00 97.94 C
239
- ATOM 238 CD2 LEU A 28 -1.855 9.719 0.319 1.00 97.94 C
240
- ATOM 239 N ILE A 29 -2.086 4.449 -0.359 1.00 97.88 N
241
- ATOM 240 CA ILE A 29 -1.405 3.172 -0.530 1.00 97.88 C
242
- ATOM 241 C ILE A 29 -1.404 2.779 -2.006 1.00 97.88 C
243
- ATOM 242 CB ILE A 29 -2.066 2.061 0.319 1.00 97.88 C
244
- ATOM 243 O ILE A 29 -0.375 2.365 -2.543 1.00 97.88 O
245
- ATOM 244 CG1 ILE A 29 -2.039 2.438 1.805 1.00 97.88 C
246
- ATOM 245 CG2 ILE A 29 -1.374 0.716 0.081 1.00 97.88 C
247
- ATOM 246 CD1 ILE A 29 -2.742 1.436 2.709 1.00 97.88 C
248
- ATOM 247 N GLU A 30 -2.475 2.992 -2.586 1.00 98.12 N
249
- ATOM 248 CA GLU A 30 -2.576 2.668 -4.008 1.00 98.12 C
250
- ATOM 249 C GLU A 30 -1.575 3.475 -4.828 1.00 98.12 C
251
- ATOM 250 CB GLU A 30 -3.998 2.918 -4.516 1.00 98.12 C
252
- ATOM 251 O GLU A 30 -0.944 2.941 -5.746 1.00 98.12 O
253
- ATOM 252 CG GLU A 30 -5.016 1.897 -4.027 1.00 98.12 C
254
- ATOM 253 CD GLU A 30 -6.434 2.199 -4.477 1.00 98.12 C
255
- ATOM 254 OE1 GLU A 30 -7.320 1.328 -4.324 1.00 98.12 O
256
- ATOM 255 OE2 GLU A 30 -6.664 3.318 -4.988 1.00 98.12 O
257
- ATOM 256 N ASN A 31 -1.463 4.680 -4.477 1.00 97.81 N
258
- ATOM 257 CA ASN A 31 -0.544 5.559 -5.195 1.00 97.81 C
259
- ATOM 258 C ASN A 31 0.898 5.070 -5.082 1.00 97.81 C
260
- ATOM 259 CB ASN A 31 -0.662 6.992 -4.676 1.00 97.81 C
261
- ATOM 260 O ASN A 31 1.644 5.098 -6.066 1.00 97.81 O
262
- ATOM 261 CG ASN A 31 -1.932 7.680 -5.145 1.00 97.81 C
263
- ATOM 262 ND2 ASN A 31 -2.326 8.734 -4.441 1.00 97.81 N
264
- ATOM 263 OD1 ASN A 31 -2.551 7.266 -6.125 1.00 97.81 O
265
- ATOM 264 N GLU A 32 1.102 4.715 -3.908 1.00 97.44 N
266
- ATOM 265 CA GLU A 32 2.461 4.215 -3.729 1.00 97.44 C
267
- ATOM 266 C GLU A 32 2.666 2.900 -4.477 1.00 97.44 C
268
- ATOM 267 CB GLU A 32 2.773 4.027 -2.242 1.00 97.44 C
269
- ATOM 268 O GLU A 32 3.721 2.680 -5.078 1.00 97.44 O
270
- ATOM 269 CG GLU A 32 4.145 3.422 -1.974 1.00 97.44 C
271
- ATOM 270 CD GLU A 32 5.289 4.258 -2.523 1.00 97.44 C
272
- ATOM 271 OE1 GLU A 32 6.426 3.744 -2.619 1.00 97.44 O
273
- ATOM 272 OE2 GLU A 32 5.047 5.441 -2.857 1.00 97.44 O
274
- ATOM 273 N ILE A 33 1.770 2.031 -4.492 1.00 97.94 N
275
- ATOM 274 CA ILE A 33 1.824 0.755 -5.195 1.00 97.94 C
276
- ATOM 275 C ILE A 33 2.004 0.999 -6.691 1.00 97.94 C
277
- ATOM 276 CB ILE A 33 0.555 -0.087 -4.938 1.00 97.94 C
278
- ATOM 277 O ILE A 33 2.824 0.344 -7.340 1.00 97.94 O
279
- ATOM 278 CG1 ILE A 33 0.564 -0.645 -3.510 1.00 97.94 C
280
- ATOM 279 CG2 ILE A 33 0.439 -1.217 -5.965 1.00 97.94 C
281
- ATOM 280 CD1 ILE A 33 -0.759 -1.262 -3.078 1.00 97.94 C
282
- ATOM 281 N LYS A 34 1.331 1.951 -7.215 1.00 97.81 N
283
- ATOM 282 CA LYS A 34 1.463 2.305 -8.625 1.00 97.81 C
284
- ATOM 283 C LYS A 34 2.838 2.900 -8.914 1.00 97.81 C
285
- ATOM 284 CB LYS A 34 0.369 3.291 -9.039 1.00 97.81 C
286
- ATOM 285 O LYS A 34 3.457 2.580 -9.938 1.00 97.81 O
287
- ATOM 286 CG LYS A 34 -1.017 2.670 -9.141 1.00 97.81 C
288
- ATOM 287 CD LYS A 34 -2.061 3.697 -9.562 1.00 97.81 C
289
- ATOM 288 CE LYS A 34 -3.459 3.096 -9.594 1.00 97.81 C
290
- ATOM 289 NZ LYS A 34 -4.496 4.125 -9.898 1.00 97.81 N
291
- ATOM 290 N ARG A 35 3.215 3.689 -8.016 1.00 97.50 N
292
- ATOM 291 CA ARG A 35 4.523 4.320 -8.172 1.00 97.50 C
293
- ATOM 292 C ARG A 35 5.625 3.273 -8.281 1.00 97.50 C
294
- ATOM 293 CB ARG A 35 4.809 5.262 -7.000 1.00 97.50 C
295
- ATOM 294 O ARG A 35 6.574 3.441 -9.055 1.00 97.50 O
296
- ATOM 295 CG ARG A 35 6.059 6.105 -7.176 1.00 97.50 C
297
- ATOM 296 CD ARG A 35 6.352 6.945 -5.941 1.00 97.50 C
298
- ATOM 297 NE ARG A 35 6.824 6.125 -4.832 1.00 97.50 N
299
- ATOM 298 NH1 ARG A 35 9.031 6.785 -5.004 1.00 97.50 N
300
- ATOM 299 NH2 ARG A 35 8.398 5.285 -3.389 1.00 97.50 N
301
- ATOM 300 CZ ARG A 35 8.086 6.066 -4.410 1.00 97.50 C
302
- ATOM 301 N ARG A 36 5.395 2.123 -7.703 1.00 97.56 N
303
- ATOM 302 CA ARG A 36 6.430 1.097 -7.680 1.00 97.56 C
304
- ATOM 303 C ARG A 36 6.180 0.036 -8.742 1.00 97.56 C
305
- ATOM 304 CB ARG A 36 6.508 0.444 -6.297 1.00 97.56 C
306
- ATOM 305 O ARG A 36 6.816 -1.019 -8.742 1.00 97.56 O
307
- ATOM 306 CG ARG A 36 6.910 1.398 -5.184 1.00 97.56 C
308
- ATOM 307 CD ARG A 36 7.152 0.667 -3.873 1.00 97.56 C
309
- ATOM 308 NE ARG A 36 7.266 1.594 -2.750 1.00 97.56 N
310
- ATOM 309 NH1 ARG A 36 8.141 0.037 -1.284 1.00 97.56 N
311
- ATOM 310 NH2 ARG A 36 7.793 2.197 -0.598 1.00 97.56 N
312
- ATOM 311 CZ ARG A 36 7.734 1.273 -1.547 1.00 97.56 C
313
- ATOM 312 N SER A 37 5.164 0.286 -9.531 1.00 97.31 N
314
- ATOM 313 CA SER A 37 4.797 -0.597 -10.633 1.00 97.31 C
315
- ATOM 314 C SER A 37 4.277 -1.936 -10.117 1.00 97.31 C
316
- ATOM 315 CB SER A 37 5.996 -0.826 -11.555 1.00 97.31 C
317
- ATOM 316 O SER A 37 4.562 -2.982 -10.703 1.00 97.31 O
318
- ATOM 317 OG SER A 37 6.438 0.398 -12.117 1.00 97.31 O
319
- ATOM 318 N LEU A 38 3.625 -1.896 -8.953 1.00 97.44 N
320
- ATOM 319 CA LEU A 38 3.043 -3.090 -8.352 1.00 97.44 C
321
- ATOM 320 C LEU A 38 1.530 -3.111 -8.547 1.00 97.44 C
322
- ATOM 321 CB LEU A 38 3.377 -3.154 -6.859 1.00 97.44 C
323
- ATOM 322 O LEU A 38 0.834 -3.932 -7.941 1.00 97.44 O
324
- ATOM 323 CG LEU A 38 4.863 -3.207 -6.500 1.00 97.44 C
325
- ATOM 324 CD1 LEU A 38 5.051 -3.031 -4.996 1.00 97.44 C
326
- ATOM 325 CD2 LEU A 38 5.480 -4.520 -6.973 1.00 97.44 C
327
- ATOM 326 N GLY A 39 0.987 -2.320 -9.328 1.00 95.75 N
328
- ATOM 327 CA GLY A 39 -0.444 -2.201 -9.555 1.00 95.75 C
329
- ATOM 328 C GLY A 39 -1.078 -3.482 -10.055 1.00 95.75 C
330
- ATOM 329 O GLY A 39 -2.254 -3.746 -9.797 1.00 95.75 O
331
- ATOM 330 N HIS A 40 -0.299 -4.254 -10.734 1.00 95.06 N
332
- ATOM 331 CA HIS A 40 -0.820 -5.492 -11.305 1.00 95.06 C
333
- ATOM 332 C HIS A 40 -1.123 -6.516 -10.211 1.00 95.06 C
334
- ATOM 333 CB HIS A 40 0.172 -6.074 -12.312 1.00 95.06 C
335
- ATOM 334 O HIS A 40 -1.971 -7.391 -10.398 1.00 95.06 O
336
- ATOM 335 CG HIS A 40 1.471 -6.492 -11.703 1.00 95.06 C
337
- ATOM 336 CD2 HIS A 40 1.933 -7.715 -11.344 1.00 95.06 C
338
- ATOM 337 ND1 HIS A 40 2.469 -5.598 -11.391 1.00 95.06 N
339
- ATOM 338 CE1 HIS A 40 3.492 -6.254 -10.867 1.00 95.06 C
340
- ATOM 339 NE2 HIS A 40 3.191 -7.539 -10.828 1.00 95.06 N
341
- ATOM 340 N ILE A 41 -0.511 -6.344 -9.031 1.00 94.69 N
342
- ATOM 341 CA ILE A 41 -0.673 -7.293 -7.930 1.00 94.69 C
343
- ATOM 342 C ILE A 41 -2.027 -7.078 -7.258 1.00 94.69 C
344
- ATOM 343 CB ILE A 41 0.465 -7.156 -6.895 1.00 94.69 C
345
- ATOM 344 O ILE A 41 -2.648 -8.031 -6.781 1.00 94.69 O
346
- ATOM 345 CG1 ILE A 41 1.817 -7.477 -7.539 1.00 94.69 C
347
- ATOM 346 CG2 ILE A 41 0.206 -8.055 -5.684 1.00 94.69 C
348
- ATOM 347 CD1 ILE A 41 3.016 -7.184 -6.648 1.00 94.69 C
349
- ATOM 348 N ILE A 42 -2.500 -5.848 -7.258 1.00 92.25 N
350
- ATOM 349 CA ILE A 42 -3.766 -5.594 -6.574 1.00 92.25 C
351
- ATOM 350 C ILE A 42 -4.836 -5.211 -7.594 1.00 92.25 C
352
- ATOM 351 CB ILE A 42 -3.621 -4.488 -5.508 1.00 92.25 C
353
- ATOM 352 O ILE A 42 -5.926 -4.770 -7.223 1.00 92.25 O
354
- ATOM 353 CG1 ILE A 42 -3.125 -3.188 -6.148 1.00 92.25 C
355
- ATOM 354 CG2 ILE A 42 -2.680 -4.938 -4.387 1.00 92.25 C
356
- ATOM 355 CD1 ILE A 42 -3.266 -1.962 -5.258 1.00 92.25 C
357
- ATOM 356 N SER A 43 -4.520 -5.301 -8.828 1.00 90.00 N
358
- ATOM 357 CA SER A 43 -5.426 -5.027 -9.938 1.00 90.00 C
359
- ATOM 358 C SER A 43 -5.785 -3.547 -10.008 1.00 90.00 C
360
- ATOM 359 CB SER A 43 -6.699 -5.863 -9.812 1.00 90.00 C
361
- ATOM 360 O SER A 43 -6.949 -3.195 -10.211 1.00 90.00 O
362
- ATOM 361 OG SER A 43 -6.387 -7.246 -9.750 1.00 90.00 O
363
- ATOM 362 N VAL A 44 -4.914 -2.646 -9.648 1.00 78.75 N
364
- ATOM 363 CA VAL A 44 -5.047 -1.203 -9.812 1.00 78.75 C
365
- ATOM 364 C VAL A 44 -3.975 -0.690 -10.773 1.00 78.75 C
366
- ATOM 365 CB VAL A 44 -4.949 -0.466 -8.461 1.00 78.75 C
367
- ATOM 366 O VAL A 44 -2.971 -1.366 -11.008 1.00 78.75 O
368
- ATOM 367 CG1 VAL A 44 -6.129 -0.831 -7.559 1.00 78.75 C
369
- ATOM 368 CG2 VAL A 44 -3.625 -0.791 -7.770 1.00 78.75 C
370
- TER 369 VAL A 44
371
- ENDMDL
372
- END
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
example/SDA_BACSU_Tsuboyama_2023_1PV0/substitutions/SDA_BACSU_Tsuboyama_2023_1PV0.csv DELETED
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