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Datasets:
THU-ATOM
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posebusters_docking

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linbc20 commited on
Commit
7aa4fc9
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verified ·
1 Parent(s): 3bbb131

Add batch 2

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Files changed (3) hide show
  1. 6XHT_V2V/6XHT_V2V_esmfold_fixed_aligned.pdb +0 -5
  2. 6YJA_2BA/6YJA_2BA_esmfold_fixed_aligned.pdb +0 -1
  3. 6YQV_8K2/6YQV_8K2_esmfold_fixed_aligned.pdb +0 -2
6XHT_V2V/6XHT_V2V_esmfold_fixed_aligned.pdb CHANGED
@@ -1839,7 +1839,6 @@ ATOM 1838 CA GLY A 233 25.702 -3.945 25.167 1.00 0.00 C
1839
  ATOM 1839 C GLY A 233 25.233 -3.677 23.750 1.00 0.00 C
1840
  ATOM 1840 O GLY A 233 25.899 -4.061 22.786 1.00 0.00 O
1841
  ATOM 1841 OXT GLY A 233 24.144 -3.050 24.384 1.00 0.00 O
1842
-
1843
  TER
1844
  ATOM 1843 N MET B 1 14.269 -48.888 40.602 1.00 0.00 N
1845
  ATOM 1844 CA MET B 1 15.530 -48.243 40.247 1.00 0.00 C
@@ -3699,7 +3698,6 @@ ATOM 3697 C ALA B 236 25.741 -20.897 36.074 1.00 0.00 C
3699
  ATOM 3698 CB ALA B 236 24.691 -20.630 33.816 1.00 0.00 C
3700
  ATOM 3699 O ALA B 236 25.593 -22.077 36.400 1.00 0.00 O
3701
  ATOM 3700 OXT ALA B 236 26.424 -19.664 36.022 1.00 0.00 O
3702
-
3703
  TER
3704
  ATOM 3702 N MET C 1 -0.806 -50.976 76.952 1.00 0.00 N
3705
  ATOM 3703 CA MET C 1 0.511 -50.899 76.326 1.00 0.00 C
@@ -5559,7 +5557,6 @@ ATOM 5556 C ALA C 236 19.567 -28.492 71.029 1.00 0.00 C
5559
  ATOM 5557 CB ALA C 236 18.506 -27.600 68.942 1.00 0.00 C
5560
  ATOM 5558 O ALA C 236 19.028 -29.581 71.237 1.00 0.00 O
5561
  ATOM 5559 OXT ALA C 236 20.638 -27.577 71.054 1.00 0.00 O
5562
-
5563
  TER
5564
  ATOM 5561 N MET D 1 1.415 11.708 51.046 1.00 0.00 N
5565
  ATOM 5562 CA MET D 1 2.758 11.625 51.613 1.00 0.00 C
@@ -7419,7 +7416,6 @@ ATOM 7415 C ALA D 236 25.055 -17.416 58.117 1.00 0.00 C
7419
  ATOM 7416 CB ALA D 236 23.927 -15.280 58.783 1.00 0.00 C
7420
  ATOM 7417 O ALA D 236 26.141 -17.061 58.579 1.00 0.00 O
7421
  ATOM 7418 OXT ALA D 236 24.219 -18.150 57.215 1.00 0.00 O
7422
-
7423
  TER
7424
  ATOM 7420 N MET E 1 15.266 9.501 88.789 1.00 0.00 N
7425
  ATOM 7421 CA MET E 1 16.390 8.822 89.425 1.00 0.00 C
@@ -9238,7 +9234,6 @@ ATOM 9233 C ALA E 230 22.439 -19.625 94.019 1.00 0.00 C
9238
  ATOM 9234 CB ALA E 230 21.312 -19.872 96.243 1.00 0.00 C
9239
  ATOM 9235 O ALA E 230 22.343 -18.413 93.807 1.00 0.00 O
9240
  ATOM 9236 OXT ALA E 230 23.056 -20.889 93.931 1.00 0.00 O
9241
-
9242
  TER
9243
  ATOM 9238 N MET F 1 -11.251 -48.031 115.110 1.00 0.00 N
9244
  ATOM 9239 CA MET F 1 -10.053 -48.418 114.370 1.00 0.00 C
 
1839
  ATOM 1839 C GLY A 233 25.233 -3.677 23.750 1.00 0.00 C
1840
  ATOM 1840 O GLY A 233 25.899 -4.061 22.786 1.00 0.00 O
1841
  ATOM 1841 OXT GLY A 233 24.144 -3.050 24.384 1.00 0.00 O
 
1842
  TER
1843
  ATOM 1843 N MET B 1 14.269 -48.888 40.602 1.00 0.00 N
1844
  ATOM 1844 CA MET B 1 15.530 -48.243 40.247 1.00 0.00 C
 
3698
  ATOM 3698 CB ALA B 236 24.691 -20.630 33.816 1.00 0.00 C
3699
  ATOM 3699 O ALA B 236 25.593 -22.077 36.400 1.00 0.00 O
3700
  ATOM 3700 OXT ALA B 236 26.424 -19.664 36.022 1.00 0.00 O
 
3701
  TER
3702
  ATOM 3702 N MET C 1 -0.806 -50.976 76.952 1.00 0.00 N
3703
  ATOM 3703 CA MET C 1 0.511 -50.899 76.326 1.00 0.00 C
 
5557
  ATOM 5557 CB ALA C 236 18.506 -27.600 68.942 1.00 0.00 C
5558
  ATOM 5558 O ALA C 236 19.028 -29.581 71.237 1.00 0.00 O
5559
  ATOM 5559 OXT ALA C 236 20.638 -27.577 71.054 1.00 0.00 O
 
5560
  TER
5561
  ATOM 5561 N MET D 1 1.415 11.708 51.046 1.00 0.00 N
5562
  ATOM 5562 CA MET D 1 2.758 11.625 51.613 1.00 0.00 C
 
7416
  ATOM 7416 CB ALA D 236 23.927 -15.280 58.783 1.00 0.00 C
7417
  ATOM 7417 O ALA D 236 26.141 -17.061 58.579 1.00 0.00 O
7418
  ATOM 7418 OXT ALA D 236 24.219 -18.150 57.215 1.00 0.00 O
 
7419
  TER
7420
  ATOM 7420 N MET E 1 15.266 9.501 88.789 1.00 0.00 N
7421
  ATOM 7421 CA MET E 1 16.390 8.822 89.425 1.00 0.00 C
 
9234
  ATOM 9234 CB ALA E 230 21.312 -19.872 96.243 1.00 0.00 C
9235
  ATOM 9235 O ALA E 230 22.343 -18.413 93.807 1.00 0.00 O
9236
  ATOM 9236 OXT ALA E 230 23.056 -20.889 93.931 1.00 0.00 O
 
9237
  TER
9238
  ATOM 9238 N MET F 1 -11.251 -48.031 115.110 1.00 0.00 N
9239
  ATOM 9239 CA MET F 1 -10.053 -48.418 114.370 1.00 0.00 C
6YJA_2BA/6YJA_2BA_esmfold_fixed_aligned.pdb CHANGED
@@ -1117,7 +1117,6 @@ ATOM 1116 CB SER A 141 -7.654 -15.775 -6.610 1.00 0.00 C
1117
  ATOM 1117 O SER A 141 -8.462 -14.951 -9.598 1.00 0.00 O
1118
  ATOM 1118 OG SER A 141 -8.119 -14.849 -5.644 1.00 0.00 O
1119
  ATOM 1119 OXT SER A 141 -7.945 -13.227 -8.039 1.00 0.00 O
1120
-
1121
  TER
1122
  ATOM 1121 N LEU B 1 -4.763 3.220 -10.441 1.00 0.00 N
1123
  ATOM 1122 CA LEU B 1 -4.378 4.060 -9.313 1.00 0.00 C
 
1117
  ATOM 1117 O SER A 141 -8.462 -14.951 -9.598 1.00 0.00 O
1118
  ATOM 1118 OG SER A 141 -8.119 -14.849 -5.644 1.00 0.00 O
1119
  ATOM 1119 OXT SER A 141 -7.945 -13.227 -8.039 1.00 0.00 O
 
1120
  TER
1121
  ATOM 1121 N LEU B 1 -4.763 3.220 -10.441 1.00 0.00 N
1122
  ATOM 1122 CA LEU B 1 -4.378 4.060 -9.313 1.00 0.00 C
6YQV_8K2/6YQV_8K2_esmfold_fixed_aligned.pdb CHANGED
@@ -230,7 +230,6 @@ ATOM 229 CG1 ILE A 28 -7.668 -0.930 35.249 1.00 0.00 C
230
  ATOM 230 CG2 ILE A 28 -6.491 -2.911 36.280 1.00 0.00 C
231
  ATOM 231 CD1 ILE A 28 -7.480 -1.349 33.797 1.00 0.00 C
232
  ATOM 232 OXT ILE A 28 -4.802 -0.605 38.143 1.00 0.00 O
233
-
234
  TER
235
  ATOM 234 N ILE B 1 5.058 -8.836 18.224 1.00 0.00 N
236
  ATOM 235 CA ILE B 1 4.316 -8.412 19.406 1.00 0.00 C
@@ -2258,7 +2257,6 @@ ATOM 2256 CE1 PHE B 250 33.508 8.888 13.498 1.00 0.00 C
2258
  ATOM 2257 CE2 PHE B 250 32.255 8.195 15.423 1.00 0.00 C
2259
  ATOM 2258 CZ PHE B 250 33.426 8.173 14.683 1.00 0.00 C
2260
  ATOM 2259 OXT PHE B 250 28.889 13.374 13.808 1.00 0.00 O
2261
-
2262
  TER
2263
  ATOM 2261 N ASP C 1 7.155 -11.895 1.899 1.00 0.00 N
2264
  ATOM 2262 CA ASP C 1 6.851 -11.327 0.590 1.00 0.00 C
 
230
  ATOM 230 CG2 ILE A 28 -6.491 -2.911 36.280 1.00 0.00 C
231
  ATOM 231 CD1 ILE A 28 -7.480 -1.349 33.797 1.00 0.00 C
232
  ATOM 232 OXT ILE A 28 -4.802 -0.605 38.143 1.00 0.00 O
 
233
  TER
234
  ATOM 234 N ILE B 1 5.058 -8.836 18.224 1.00 0.00 N
235
  ATOM 235 CA ILE B 1 4.316 -8.412 19.406 1.00 0.00 C
 
2257
  ATOM 2257 CE2 PHE B 250 32.255 8.195 15.423 1.00 0.00 C
2258
  ATOM 2258 CZ PHE B 250 33.426 8.173 14.683 1.00 0.00 C
2259
  ATOM 2259 OXT PHE B 250 28.889 13.374 13.808 1.00 0.00 O
 
2260
  TER
2261
  ATOM 2261 N ASP C 1 7.155 -11.895 1.899 1.00 0.00 N
2262
  ATOM 2262 CA ASP C 1 6.851 -11.327 0.590 1.00 0.00 C