Screening Results : Docking based on all models from entry : KIT_HUMAN
Display Selection :
Study :
All_Studies
RUN0
RUN1
RUN2
VALID0
VALID2
Show results:
All Complexes
Atome Selection
Best pKd per Ligand
Best Position per Ligand (LPE)
Selection of Expert
Values:
Resume
Details
Color code: [
Good
|
Correct
|
Uncertain
|
Dubius
] - pKd: [
‹nMol
|
‹μMol
|
‹mMol
| ›mMol]
pKd
LE
LPE < 1.5
LPE < 2.5
All LPE
LPE Spec
ALL_Candidates
103904196
103904201
103904271
103904272
103904275
103904276
103904277
103904279
103904280
103904281
103904283
103904285
103904286
103904287
103904288
103904289
103904290
103904291
103904292
103904293
103904295
103904296
103904297
103904298
103904299
103904300
103904301
103904302
103904303
103904304
103904305
103904306
103904307
103904308
103904309
103904310
103904311
103904312
103904313
103904315
103904316
103904317
103904318
103904319
103904320
103904321
103904322
103904325
103904326
103904333
103904334
103904335
103904336
103904338
103904339
103904341
103904342
103904351
103904354
103904358
103904359
103904362
103904366
103904367
103904370
103904371
103904372
103904373
103904374
103904375
103904376
103904378
103904382
103904385
103904402
103904403
103904405
103904411
103904418
103904422
103904445
103904446
103904447
103904503
103904592
103904595
103904602
103904603
103904604
103904611
103904651
103904684
103904739
103904742
103904752
103904754
103904783
103904784
103904785
103904796
103904811
103904819
103904857
103904858
103904876
103904912
103904913
103904983
103904991
103904993
103904994
103904996
103905026
103905030
103905035
103905055
103905075
103905091
103905094
103905151
103905185
103905219
103905231
103905342
103905346
103905387
103905429
103905455
103905457
103905531
103905539
103905548
103905558
103905586
103905607
103905616
103905649
103905675
103905682
4U0I_0LI
Complex support
[Template
(Ident)
+ Anchor]
Model Quality
(QMean)
Position of Lig.
Study
Measure
1
9.4
0.4
103904358
3VHE
(49%)
+
42Q_A_2
QMean=0.508
P1
:
(8 Cplx.)
RUN2
pKi= 6.4
2
9.2
0.5
103904358
3VHE
(49%)
+
42Q_A_2
QMean=0.508
P1
:
(7 Cplx.)
RUN1
pKi= 6.4
3
9.2
0.5
103904367
3VHE
(49%)
+
42Q_A_2
QMean=0.508
P1
:
(14 Cplx.)
RUN2
pKi= 7.6
4
9.6
0.5
103904358
3VHE
(49%)
+
42Q_A_2
QMean=0.508
P1
:
(10 Cplx.)
RUN0
pKi= 6.4
5
8.3
0.7
103905548
2P2I
(48%)
+
608_D_4
QMean=0.512
P1
:
(11 Cplx.)
RUN2
pKi= 7.4
6
8.4
0.7
103904742
3VHE
(49%)
+
42Q_A_2
QMean=0.508
P1
:
(6 Cplx.)
RUN2
pKi= 9
7
9.6
0.7
103904298
3VHE
(49%)
+
42Q_A_2
QMean=0.508
P1
:
(11 Cplx.)
RUN1
pKi= 8.8
8
8.9
0.7
103904298
3VHE
(49%)
+
42Q_A_2
QMean=0.508
P1
:
(6 Cplx.)
RUN2
pKi= 8.8
9
9.3
0.7
103904376
3VHE
(49%)
+
42Q_A_2
QMean=0.508
P1
:
(13 Cplx.)
RUN1
pKi= 9.7
10
8.8
0.7
103904333
3VHE
(49%)
+
42Q_A_2
QMean=0.508
P1
:
(10 Cplx.)
RUN1
pKi= 6.7
11
9.3
0.7
103904378
3VHE
(49%)
+
42Q_A_2
QMean=0.508
P1
:
(9 Cplx.)
RUN1
pKi= 9.7
12
8.6
0.7
103904275
3VHE
(49%)
+
42Q_A_2
QMean=0.508
P1
:
(10 Cplx.)
RUN2
pKi= 6.9
13
9.5
0.7
103904372
3VHE
(49%)
+
42Q_A_2
QMean=0.508
P1
:
(10 Cplx.)
RUN1
pKi= 9.1
14
8.9
0.8
103904333
3VHE
(49%)
+
42Q_A_2
QMean=0.508
P1
:
(6 Cplx.)
RUN2
pKi= 6.7
15
9.4
0.8
103904367
3VHE
(49%)
+
42Q_A_2
QMean=0.508
P1
:
(9 Cplx.)
RUN0
pKi= 7.6
16
9.7
0.8
103905030
3VHE
(49%)
+
42Q_A_2
QMean=0.508
P1
:
(12 Cplx.)
RUN1
pKi= 8.6
17
8.5
0.8
103904445
3VHE
(49%)
+
42Q_A_2
QMean=0.508
P1
:
(8 Cplx.)
RUN1
pKi= 9.6
18
8.3
0.8
103904373
3VHE
(49%)
+
42Q_A_2
QMean=0.508
P1
:
(5 Cplx.)
RUN1
pKi= 9.3
19
8.9
0.8
103904275
3VHE
(49%)
+
42Q_A_2
QMean=0.508
P1
:
(14 Cplx.)
RUN1
pKi= 6.9
20
8.5
0.8
103905548
3EFL
(48%)
+
706_B_4
QMean=0.543
P1
:
(13 Cplx.)
RUN1
pKi= 7.4
21
9.4
0.9
103905539
4AG8
(49%)
+
AXI_A_2
QMean=0.476
P1
:
(8 Cplx.)
RUN2
pKi= 8
22
8.5
0.9
103904295
3VHE
(49%)
+
42Q_A_2
QMean=0.508
P1
:
(9 Cplx.)
RUN2
pKi= 6.6
23
9.0
0.9
103904299
3VHE
(49%)
+
42Q_A_2
QMean=0.508
P1
:
(5 Cplx.)
RUN1
pKi= 9.5
24
9.4
0.9
103905030
3VHE
(49%)
+
42Q_A_2
QMean=0.508
P1
:
(12 Cplx.)
RUN2
pKi= 8.6
25
8.5
0.9
103904445
3VHE
(49%)
+
42Q_A_2
QMean=0.508
P1
:
(8 Cplx.)
RUN2
pKi= 9.6
26
9.5
0.9
103904306
3VHE
(49%)
+
42Q_A_2
QMean=0.508
P2
:
(5 Cplx.)
RUN1
pKi= 9.1
27
8.3
0.9
103904299
3VHE
(49%)
+
42Q_A_2
QMean=0.508
P2
:
(4 Cplx.)
RUN2
pKi= 9.5
28
8.9
0.9
103904374
3VHE
(49%)
+
42Q_A_2
QMean=0.508
P1
:
(9 Cplx.)
RUN2
pKi= 9
29
9.0
0.9
103904276
3VHE
(49%)
+
42Q_A_2
QMean=0.508
P1
:
(11 Cplx.)
RUN1
pKi= 7.4
30
8.4
0.9
103904276
3VHE
(49%)
+
42Q_A_2
QMean=0.508
P1
:
(10 Cplx.)
RUN2
pKi= 7.4
31
9.6
0.9
103904351
3VHE
(49%)
+
42Q_A_2
QMean=0.508
P1
:
(9 Cplx.)
RUN1
pKi= 6.3
32
8.7
0.9
103904311
3VHE
(49%)
+
42Q_A_2
QMean=0.508
P1
:
(7 Cplx.)
RUN2
pKi= 9.1
33
9.9
0.9
103904385
3VHE
(49%)
+
42Q_A_2
QMean=0.508
P1
:
(10 Cplx.)
RUN1
pKi= 9
34
7.5
0.9
103904373
3VHE
(49%)
+
42Q_A_2
QMean=0.508
P1
:
(4 Cplx.)
RUN2
pKi= 9.3
35
8.9
0.9
103904374
3VHE
(49%)
+
42Q_A_2
QMean=0.508
P1
:
(8 Cplx.)
RUN1
pKi= 9
36
9.1
0.9
103904376
3VHE
(49%)
+
42Q_A_2
QMean=0.508
P1
:
(11 Cplx.)
RUN2
pKi= 9.7
37
9.2
0.9
103904333
3VHE
(49%)
+
42Q_A_2
QMean=0.508
P1
:
(6 Cplx.)
RUN0
pKi= 6.7
38
8.1
0.9
103905219
3VHE
(49%)
+
42Q_A_2
QMean=0.508
P2
:
(5 Cplx.)
RUN2
pKi= 6.7
39
9.1
0.9
103904295
3VHE
(49%)
+
42Q_A_2
QMean=0.508
P1
:
(9 Cplx.)
RUN1
pKi= 6.6
40
8.7
0.9
103904370
3VHE
(49%)
+
42Q_A_2
QMean=0.508
P1
:
(11 Cplx.)
RUN1
pKi= 5.9
41
9.2
1.0
103904371
3VHE
(49%)
+
42Q_A_2
QMean=0.508
P1
:
(12 Cplx.)
RUN1
pKi= 6.8
42
9.3
1.0
103904298
3VHE
(49%)
+
42Q_A_2
QMean=0.508
P1
:
(9 Cplx.)
RUN0
pKi= 8.8
43
9.4
1.0
103904296
3VHE
(49%)
+
42Q_A_2
QMean=0.508
P1
:
(10 Cplx.)
RUN1
pKi= 7.1
44
8.7
1.0
103905548
3EFL
(48%)
+
706_B_4
QMean=0.543
P1
:
(10 Cplx.)
RUN0
pKi= 7.4
45
9.1
1.0
103905539
4AG8
(49%)
+
AXI_A_2
QMean=0.476
P1
:
(7 Cplx.)
RUN1
pKi= 8
46
9.4
1.0
103904351
3VHE
(49%)
+
42Q_A_2
QMean=0.508
P1
:
(7 Cplx.)
RUN2
pKi= 6.3
47
8.6
1.0
103904366
3BE2
(49%)
+
RAJ_A_2
QMean=0.513
P3
:
(4 Cplx.)
RUN2
pKi= 7.4
48
8.6
1.0
103904306
3VHE
(49%)
+
42Q_A_2
QMean=0.508
P3
:
(3 Cplx.)
RUN2
pKi= 9.1
49
9.8
1.0
103904311
3VHE
(49%)
+
42Q_A_2
QMean=0.508
P1
:
(12 Cplx.)
RUN1
pKi= 9.1
50
7.9
1.0
103904742
4ASD
(46%)
+
BAX_A_2
QMean=0.466
P1
:
(6 Cplx.)
RUN0
pKi= 9
51
9.4
1.0
103904339
3VHE
(49%)
+
42Q_A_2
QMean=0.508
P1
:
(13 Cplx.)
RUN1
pKi= 7.5
52
10.6
1.1
103904313
3VHE
(49%)
+
42Q_A_2
QMean=0.508
P1
:
(11 Cplx.)
RUN1
pKi= 9
53
9.2
1.1
103904858
3VHE
(49%)
+
42Q_A_2
QMean=0.508
P1
:
(7 Cplx.)
RUN2
pKi= 9.1
54
8.6
1.1
103905035
3VHE
(49%)
+
42Q_A_2
QMean=0.508
P1
:
(6 Cplx.)
RUN1
pKi= 8.7
55
9.1
1.1
103904857
3VHE
(49%)
+
42Q_A_2
QMean=0.508
P1
:
(12 Cplx.)
RUN1
pKi= 6.7
56
7.3
1.1
103904651
3EWH
(49%)
+
K11_A_2
QMean=0.539
P1
:
(8 Cplx.)
RUN2
pKi= 6.4
57
10.0
1.1
103905030
3VHE
(49%)
+
42Q_A_2
QMean=0.508
P1
:
(11 Cplx.)
RUN0
pKi= 8.6
58
10.1
1.1
103904288
3VHE
(49%)
+
42Q_A_2
QMean=0.508
P1
:
(13 Cplx.)
RUN2
pKi= 8.3
59
9.2
1.1
103904447
3VHE
(49%)
+
42Q_A_2
QMean=0.508
P1
:
(8 Cplx.)
RUN1
pKi= 9.1
60
9.2
1.1
103904446
3VHE
(49%)
+
42Q_A_2
QMean=0.508
P1
:
(8 Cplx.)
RUN1
pKi= 9.1
61
7.7
1.1
103905035
3VHE
(49%)
+
42Q_A_2
QMean=0.508
P1
:
(5 Cplx.)
RUN2
pKi= 8.7
62
8.7
1.1
103904372
3VHE
(49%)
+
42Q_A_2
QMean=0.508
P1
:
(11 Cplx.)
RUN2
pKi= 9.1
63
10.2
1.1
103904308
3VHE
(49%)
+
42Q_A_2
QMean=0.508
P1
:
(9 Cplx.)
RUN1
pKi= 8.9
64
9.0
1.1
103904858
3VHE
(49%)
+
42Q_A_2
QMean=0.508
P1
:
(8 Cplx.)
RUN1
pKi= 9.1
65
8.9
1.1
103904445
3VHE
(49%)
+
42Q_A_2
QMean=0.508
P1
:
(8 Cplx.)
RUN0
pKi= 9.6
66
11.0
1.1
103904319
3VHE
(49%)
+
42Q_A_2
QMean=0.508
P1
:
(10 Cplx.)
RUN1
pKi= 6.6
67
10.0
1.1
103904334
3VHE
(49%)
+
42Q_A_2
QMean=0.508
P1
:
(7 Cplx.)
RUN1
pKi= 6.6
68
9.6
1.1
103904382
3VHE
(49%)
+
42Q_A_2
QMean=0.508
P2
:
(6 Cplx.)
RUN1
pKi= 9.1
69
10.0
1.1
103904312
3VHE
(49%)
+
42Q_A_2
QMean=0.508
P1
:
(7 Cplx.)
RUN1
pKi= 8.8
70
9.8
1.1
103904310
3VHE
(49%)
+
42Q_A_2
QMean=0.508
P1
:
(9 Cplx.)
RUN1
pKi= 8.5
71
10.7
1.1
103904302
3VHE
(49%)
+
42Q_A_2
QMean=0.508
P1
:
(13 Cplx.)
RUN1
pKi= 7
72
9.2
1.1
103904296
3VHE
(49%)
+
42Q_A_2
QMean=0.508
P1
:
(13 Cplx.)
RUN2
pKi= 7.1
73
8.9
1.1
103905455
1T46
(100%)
+
STI_A_4
QMean=0.538
P1
:
(9 Cplx.)
RUN1
pKi= 6.2
74
9.0
1.1
103904301
3VHE
(49%)
+
42Q_A_2
QMean=0.508
P1
:
(6 Cplx.)
RUN1
pKi= 9
75
8.9
1.1
103904375
3VHE
(49%)
+
42Q_A_2
QMean=0.508
P1
:
(8 Cplx.)
RUN1
pKi= 9.1
76
9.0
1.1
103904375
3VHE
(49%)
+
42Q_A_2
QMean=0.508
P1
:
(7 Cplx.)
RUN2
pKi= 9.1
77
9.7
1.2
103904366
3VHE
(49%)
+
42Q_A_2
QMean=0.508
P1
:
(7 Cplx.)
RUN1
pKi= 7.4
78
9.7
1.2
103904335
3VHE
(49%)
+
42Q_A_2
QMean=0.508
P1
:
(14 Cplx.)
RUN1
pKi= 6.9
79
10.8
1.2
103904302
3VHE
(49%)
+
42Q_A_2
QMean=0.508
P1
:
(10 Cplx.)
RUN0
pKi= 7
80
9.4
1.2
103904447
3VHE
(49%)
+
42Q_A_2
QMean=0.508
P1
:
(6 Cplx.)
RUN2
pKi= 9.1
81
9.6
1.2
103904446
3VHE
(49%)
+
42Q_A_2
QMean=0.508
P1
:
(9 Cplx.)
RUN2
pKi= 9.1
82
8.4
1.2
103904295
3VHE
(49%)
+
42Q_A_2
QMean=0.508
P1
:
(12 Cplx.)
RUN0
pKi= 6.6
83
9.6
1.2
103904376
3VHE
(49%)
+
42Q_A_2
QMean=0.508
P1
:
(13 Cplx.)
RUN0
pKi= 9.7
84
8.1
1.2
103904382
3VHE
(49%)
+
42Q_A_2
QMean=0.508
P1
:
(9 Cplx.)
RUN2
pKi= 9.1
85
9.3
1.2
103904312
3VHE
(49%)
+
42Q_A_2
QMean=0.508
P1
:
(10 Cplx.)
RUN2
pKi= 8.8
86
9.5
1.2
103904300
3VHE
(49%)
+
42Q_A_2
QMean=0.508
P1
:
(9 Cplx.)
RUN2
pKi= 7.1
87
10.3
1.2
103904302
3VHE
(49%)
+
42Q_A_2
QMean=0.508
P1
:
(12 Cplx.)
RUN2
pKi= 7
88
9.9
1.2
103904354
3VHE
(49%)
+
42Q_A_2
QMean=0.508
P1
:
(14 Cplx.)
RUN2
pKi= 8
89
10.4
1.2
103904320
3VHE
(49%)
+
42Q_A_2
QMean=0.508
P1
:
(6 Cplx.)
RUN1
pKi= 7.6
90
11.0
1.2
103904297
3VHE
(49%)
+
42Q_A_2
QMean=0.508
P1
:
(7 Cplx.)
RUN1
pKi= 8
91
9.1
1.2
103904385
3VHE
(49%)
+
42Q_A_2
QMean=0.508
P1
:
(12 Cplx.)
RUN2
pKi= 9
92
9.6
1.2
103904277
3VHE
(49%)
+
42Q_A_2
QMean=0.508
P2
:
(5 Cplx.)
RUN1
pKi= 7.4
93
8.9
1.2
103904857
3VHE
(49%)
+
42Q_A_2
QMean=0.508
P1
:
(7 Cplx.)
RUN2
pKi= 6.7
94
9.7
1.2
103904335
3VHE
(49%)
+
42Q_A_2
QMean=0.508
P1
:
(9 Cplx.)
RUN2
pKi= 6.9
95
8.1
1.2
103904370
3VHE
(49%)
+
42Q_A_2
QMean=0.508
P1
:
(6 Cplx.)
RUN2
pKi= 5.9
96
7.4
1.2
103904313
3VHE
(49%)
+
42Q_A_2
QMean=0.508
P1
:
(4 Cplx.)
RUN2
pKi= 9
97
9.6
1.2
103905457
3VHE
(49%)
+
42Q_A_2
QMean=0.508
P1
:
(14 Cplx.)
RUN1
pKi= 8.8
98
9.7
1.2
103904446
3VHE
(49%)
+
42Q_A_2
QMean=0.508
P1
:
(9 Cplx.)
RUN0
pKi= 9.1
99
10.1
1.2
103904285
3VHE
(49%)
+
42Q_A_2
QMean=0.508
P1
:
(12 Cplx.)
RUN1
pKi= 7.3
100
7.0
1.3
103904402
2QU6
(49%)
+
857_B_5
QMean=0.477
P1
:
(6 Cplx.)
RUN1
pKi= 6.8
101
8.6
1.3
103904754
3U6J
(49%)
+
03X_A_2
QMean=0.492
P2
:
(3 Cplx.)
RUN2
pKi= 6.9
102
10.6
1.3
4U0I_0LI
3DTW
(49%)
+
A96_A_3
QMean=0.491
P1
:
(8 Cplx.)
VALID0
-= -
103
9.4
1.3
103904342
3VHE
(49%)
+
42Q_A_2
QMean=0.508
P2
:
(5 Cplx.)
RUN1
pKi= 9.5
104
9.0
1.3
103904378
3BE2
(49%)
+
RAJ_A_2
QMean=0.513
P1
:
(13 Cplx.)
RUN0
pKi= 9.7
105
9.6
1.3
103904447
3VHE
(49%)
+
42Q_A_2
QMean=0.508
P1
:
(10 Cplx.)
RUN0
pKi= 9.1
106
9.4
1.3
103904338
3VHE
(49%)
+
42Q_A_2
QMean=0.508
P1
:
(13 Cplx.)
RUN1
pKi= 9.5
107
10.6
1.3
103904319
3VHE
(49%)
+
42Q_A_2
QMean=0.508
P1
:
(12 Cplx.)
RUN2
pKi= 6.6
108
6.2
1.3
103904611
1OPK
(40%)
+
P16_A_3
QMean=0.523
P1
:
(8 Cplx.)
RUN1
pKi= 5.9
109
8.0
1.3
103904338
3VHE
(49%)
+
42Q_A_2
QMean=0.508
P1
:
(11 Cplx.)
RUN2
pKi= 9.5
110
11.6
1.3
103904304
3VHE
(49%)
+
42Q_A_2
QMean=0.508
P1
:
(10 Cplx.)
RUN1
pKi= 7.7
111
10.5
1.3
103904281
3VHE
(49%)
+
42Q_A_2
QMean=0.508
P2
:
(8 Cplx.)
RUN1
pKi= 7.8
112
7.9
1.3
103904651
3EWH
(49%)
+
K11_A_2
QMean=0.539
P2
:
(5 Cplx.)
RUN0
pKi= 6.4
113
10.4
1.3
103904272
3VHE
(49%)
+
42Q_A_2
QMean=0.508
P1
:
(10 Cplx.)
RUN1
pKi= 7.8
114
10.5
1.3
103904279
3VHE
(49%)
+
42Q_A_2
QMean=0.508
P2
:
(5 Cplx.)
RUN1
pKi= 7.2
115
9.2
1.3
103904385
3VHE
(49%)
+
42Q_A_2
QMean=0.508
P2
:
(7 Cplx.)
RUN0
pKi= 9
116
9.7
1.3
103904351
3VHE
(49%)
+
42Q_A_2
QMean=0.508
P1
:
(11 Cplx.)
RUN0
pKi= 6.3
117
8.9
1.4
103904378
3BE2
(49%)
+
RAJ_A_2
QMean=0.513
P1
:
(15 Cplx.)
RUN2
pKi= 9.7
118
9.3
1.4
103904362
3VHE
(49%)
+
42Q_A_2
QMean=0.508
P1
:
(8 Cplx.)
RUN1
pKi= 6.4
119
9.0
1.4
103904334
3VHE
(49%)
+
42Q_A_2
QMean=0.508
P1
:
(7 Cplx.)
RUN2
pKi= 6.6
120
10.5
1.4
103904290
3VHE
(49%)
+
42Q_A_2
QMean=0.508
P1
:
(9 Cplx.)
RUN1
pKi= 8.1
121
10.2
1.4
103904289
3VHE
(49%)
+
42Q_A_2
QMean=0.508
P1
:
(11 Cplx.)
RUN2
pKi= 8.7
122
10.5
1.4
103904300
3VHE
(49%)
+
42Q_A_2
QMean=0.508
P1
:
(13 Cplx.)
RUN1
pKi= 7.1
123
8.1
1.4
103904742
3EWH
(49%)
+
K11_A_2
QMean=0.539
P1
:
(9 Cplx.)
RUN1
pKi= 9
124
10.5
1.4
103904322
3VHE
(49%)
+
42Q_A_2
QMean=0.508
P1
:
(7 Cplx.)
RUN1
pKi= 7.4
125
10.8
1.4
103904315
3VHE
(49%)
+
42Q_A_2
QMean=0.508
P2
:
(7 Cplx.)
RUN1
pKi= 8.3
126
7.4
1.4
103904651
4HW7
(59%)
+
64M_A_2
QMean=0.494
P1
:
(11 Cplx.)
RUN1
pKi= 6.4
127
8.4
1.4
103905586
3VHE
(49%)
+
42Q_A_2
QMean=0.508
P1
:
(6 Cplx.)
RUN2
pKi= 6.5
128
10.3
1.4
103904287
3VHE
(49%)
+
42Q_A_2
QMean=0.508
P1
:
(11 Cplx.)
RUN1
pKi= 6.2
129
9.2
1.4
103904296
3VHE
(49%)
+
42Q_A_2
QMean=0.508
P1
:
(12 Cplx.)
RUN0
pKi= 7.1
130
9.2
1.4
103904374
3VHE
(49%)
+
42Q_A_2
QMean=0.508
P1
:
(5 Cplx.)
RUN0
pKi= 9
131
10.0
1.4
103904335
3VHE
(49%)
+
42Q_A_2
QMean=0.508
P1
:
(10 Cplx.)
RUN0
pKi= 6.9
132
8.9
1.4
103904308
3BE2
(49%)
+
RAJ_A_2
QMean=0.513
P1
:
(7 Cplx.)
RUN2
pKi= 8.9
133
10.5
1.4
103904288
3VHE
(49%)
+
42Q_A_2
QMean=0.508
P1
:
(13 Cplx.)
RUN0
pKi= 8.3
134
9.4
1.4
103904858
3VHE
(49%)
+
42Q_A_2
QMean=0.508
P1
:
(10 Cplx.)
RUN0
pKi= 9.1
135
9.1
1.4
103904287
3BE2
(49%)
+
RAJ_A_2
QMean=0.513
P2
:
(3 Cplx.)
RUN2
pKi= 6.2
136
9.1
1.4
103904305
3VHE
(49%)
+
42Q_A_2
QMean=0.508
P1
:
(8 Cplx.)
RUN1
pKi= 9.8
137
10.8
1.4
103904317
3VHE
(49%)
+
42Q_A_2
QMean=0.508
P1
:
(14 Cplx.)
RUN1
pKi= 8.1
138
9.3
1.5
103904857
3VHE
(49%)
+
42Q_A_2
QMean=0.508
P1
:
(8 Cplx.)
RUN0
pKi= 6.7
139
10.1
1.5
103904303
3VHE
(49%)
+
42Q_A_2
QMean=0.508
P1
:
(13 Cplx.)
RUN1
pKi= 7.4
140
9.5
1.5
103904280
3VHE
(49%)
+
42Q_A_2
QMean=0.508
P1
:
(14 Cplx.)
RUN1
pKi= 7.6
141
8.4
1.5
103905586
3VHE
(49%)
+
42Q_A_2
QMean=0.508
P2
:
(6 Cplx.)
RUN0
pKi= 6.5
142
8.6
1.5
103904303
3BE2
(49%)
+
RAJ_A_2
QMean=0.513
P1
:
(8 Cplx.)
RUN2
pKi= 7.4
143
8.8
1.5
103904362
3VHE
(49%)
+
42Q_A_2
QMean=0.508
P1
:
(8 Cplx.)
RUN0
pKi= 6.4
144
10.6
1.5
103904318
3VHE
(49%)
+
42Q_A_2
QMean=0.508
P2
:
(7 Cplx.)
RUN1
pKi= 8.8
145
6.7
1.5
103904422
3VO3
(45%)
+
0KF_A_2
QMean=0.387
P1
:
(3 Cplx.)
RUN2
pKi= 6.1
146
8.7
1.5
103904362
3VHE
(49%)
+
42Q_A_2
QMean=0.508
P1
:
(8 Cplx.)
RUN2
pKi= 6.4
147
8.5
1.5
103905586
3VHE
(49%)
+
42Q_A_2
QMean=0.508
P1
:
(11 Cplx.)
RUN1
pKi= 6.5
148
10.1
1.5
103904290
3VHE
(49%)
+
42Q_A_2
QMean=0.508
P1
:
(16 Cplx.)
RUN2
pKi= 8.1
149
10.6
1.5
103905682
3DTW
(49%)
+
A96_A_3
QMean=0.491
P1
:
(12 Cplx.)
RUN1
pKi= 5.8
150
9.7
1.5
103904334
3VHE
(49%)
+
42Q_A_2
QMean=0.508
P1
:
(9 Cplx.)
RUN0
pKi= 6.6
151
9.0
1.5
103904307
3VHE
(49%)
+
42Q_A_2
QMean=0.508
P1
:
(6 Cplx.)
RUN2
pKi= 8.5
152
8.8
1.5
103904367
4AG8
(49%)
+
AXI_A_2
QMean=0.476
P1
:
(8 Cplx.)
RUN1
pKi= 7.6
153
7.5
1.5
103904592
1T46
(100%)
+
STI_A_4
QMean=0.538
P2
:
(5 Cplx.)
RUN1
pKi= 6.2
154
9.1
1.6
103904311
3VHE
(49%)
+
42Q_A_2
QMean=0.508
P1
:
(5 Cplx.)
RUN0
pKi= 9.1
155
10.7
1.6
103904271
2RL5
(49%)
+
2RL_A_2
QMean=0.465
P1
:
(8 Cplx.)
RUN1
pKi= 6.3
156
7.7
1.6
103905219
3U6J
(49%)
+
03X_A_2
QMean=0.492
P3
:
(3 Cplx.)
RUN0
pKi= 6.7
157
9.6
1.6
103904291
3BE2
(49%)
+
RAJ_A_2
QMean=0.513
P1
:
(6 Cplx.)
RUN2
pKi= 8.5
158
8.1
1.6
103904752
3BE2
(49%)
+
RAJ_A_2
QMean=0.513
P1
:
(4 Cplx.)
RUN2
pKi= 6.2
159
8.4
1.6
103904275
3VHE
(49%)
+
42Q_A_2
QMean=0.508
P1
:
(9 Cplx.)
RUN0
pKi= 6.9
160
9.7
1.6
103905457
3VHE
(49%)
+
42Q_A_2
QMean=0.508
P1
:
(13 Cplx.)
RUN2
pKi= 8.8
161
6.3
1.6
103904611
1OPK
(40%)
+
P16_A_3
QMean=0.523
P2
:
(3 Cplx.)
RUN0
pKi= 5.9
162
10.0
1.6
103904280
3VHE
(49%)
+
42Q_A_2
QMean=0.508
P1
:
(12 Cplx.)
RUN0
pKi= 7.6
163
9.4
1.6
103904375
3VHE
(49%)
+
42Q_A_2
QMean=0.508
P1
:
(8 Cplx.)
RUN0
pKi= 9.1
164
6.1
1.6
103904611
2QU5
(49%)
+
276_A_2
QMean=0.483
P1
:
(8 Cplx.)
RUN2
pKi= 5.9
165
9.6
1.6
103904280
3BE2
(49%)
+
RAJ_A_2
QMean=0.513
P1
:
(14 Cplx.)
RUN2
pKi= 7.6
166
10.5
1.6
103904292
3VHE
(49%)
+
42Q_A_2
QMean=0.508
P1
:
(10 Cplx.)
RUN1
pKi= 8
167
9.8
1.6
103904322
3BE2
(49%)
+
RAJ_A_2
QMean=0.513
P1
:
(12 Cplx.)
RUN2
pKi= 7.4
168
7.7
1.6
103904196
3DTW
(49%)
+
A96_A_3
QMean=0.491
P1
:
(8 Cplx.)
RUN2
pKi= 6.2
169
6.7
1.6
103904994
3CPC
(49%)
+
C52_B_4
QMean=0.496
P1
:
(3 Cplx.)
RUN1
pKi= 6.8
170
8.5
1.6
103904339
2RL5
(49%)
+
2RL_A_2
QMean=0.465
P1
:
(12 Cplx.)
RUN2
pKi= 7.5
171
7.8
1.6
103904336
3B8Q
(49%)
+
900_A_3
QMean=0.498
P2
:
(6 Cplx.)
RUN1
pKi= 7.6
172
7.3
1.6
103904310
3BE2
(49%)
+
RAJ_A_2
QMean=0.513
P4
:
(3 Cplx.)
RUN2
pKi= 8.5
173
10.6
1.6
4U0I_0LI
3VHE
(49%)
+
42Q_A_2
QMean=0.508
P1
:
(15 Cplx.)
VALID2
-= -
174
9.7
1.6
103904366
3VHE
(49%)
+
42Q_A_2
QMean=0.508
P1
:
(10 Cplx.)
RUN0
pKi= 7.4
175
7.8
1.7
103904371
3CPC
(49%)
+
C52_B_4
QMean=0.496
P1
:
(7 Cplx.)
RUN2
pKi= 6.8
176
9.3
1.7
103904754
3B8Q
(49%)
+
900_A_3
QMean=0.498
P1
:
(6 Cplx.)
RUN1
pKi= 6.9
177
5.8
1.7
103904913
2XIR
(49%)
+
00J_A_2
QMean=0.461
P2
:
(4 Cplx.)
RUN1
pKi= 5.9
178
10.4
1.7
103904291
3VHE
(49%)
+
42Q_A_2
QMean=0.508
P1
:
(10 Cplx.)
RUN1
pKi= 8.5
179
8.2
1.7
103904276
3VHE
(49%)
+
42Q_A_2
QMean=0.508
P1
:
(8 Cplx.)
RUN0
pKi= 7.4
180
10.5
1.7
103904320
3BE2
(49%)
+
RAJ_A_2
QMean=0.513
P1
:
(5 Cplx.)
RUN2
pKi= 7.6
181
8.8
1.7
103905219
3BE2
(49%)
+
RAJ_A_2
QMean=0.513
P1
:
(7 Cplx.)
RUN1
pKi= 6.7
182
6.9
1.7
103904201
4HW7
(59%)
+
64M_A_2
QMean=0.494
P2
:
(3 Cplx.)
RUN1
pKi= 6
183
9.5
1.7
103904286
3VHE
(49%)
+
42Q_A_2
QMean=0.508
P2
:
(5 Cplx.)
RUN1
pKi= 6.1
184
10.3
1.7
103905457
3VHE
(49%)
+
42Q_A_2
QMean=0.508
P1
:
(16 Cplx.)
RUN0
pKi= 8.8
185
6.2
1.7
103904405
1T46
(100%)
+
STI_A_4
QMean=0.538
P1
:
(3 Cplx.)
RUN2
pKi= 7.2
186
9.3
1.7
103904341
1T46
(100%)
+
STI_A_4
QMean=0.538
P1
:
(9 Cplx.)
RUN2
pKi= 7.4
187
6.9
1.8
103905455
3VO3
(45%)
+
0KF_A_2
QMean=0.387
P1
:
(3 Cplx.)
RUN0
pKi= 6.2
188
8.8
1.8
103904339
3VHE
(49%)
+
42Q_A_2
QMean=0.508
P1
:
(11 Cplx.)
RUN0
pKi= 7.5
189
7.8
1.8
103904359
3BE2
(49%)
+
RAJ_A_2
QMean=0.513
P1
:
(9 Cplx.)
RUN1
pKi= 6.1
190
8.3
1.8
103904297
1OPK
(40%)
+
P16_A_3
QMean=0.523
P1
:
(4 Cplx.)
RUN2
pKi= 8
191
11.2
1.8
103904341
3VHE
(49%)
+
42Q_A_2
QMean=0.508
P1
:
(13 Cplx.)
RUN1
pKi= 7.4
192
9.1
1.8
103904305
3VHE
(49%)
+
42Q_A_2
QMean=0.508
P1
:
(4 Cplx.)
RUN0
pKi= 9.8
193
9.7
1.8
103904293
4HW7
(59%)
+
64M_A_2
QMean=0.494
P1
:
(8 Cplx.)
RUN1
pKi= 8.1
194
7.9
1.8
103904286
3VHE
(49%)
+
42Q_A_2
QMean=0.508
P1
:
(6 Cplx.)
RUN2
pKi= 6.1
195
8.0
1.9
103904342
3U6J
(49%)
+
03X_A_2
QMean=0.492
P2
:
(4 Cplx.)
RUN2
pKi= 9.5
196
9.7
1.9
103904312
3VHE
(49%)
+
42Q_A_2
QMean=0.508
P1
:
(10 Cplx.)
RUN0
pKi= 8.8
197
9.8
1.9
103904326
1T46
(100%)
+
STI_A_4
QMean=0.538
P1
:
(11 Cplx.)
RUN1
pKi= 7.9
198
7.9
1.9
103904299
3VHE
(49%)
+
42Q_A_2
QMean=0.508
P1
:
(4 Cplx.)
RUN0
pKi= 9.5
199
7.0
1.9
103905231
1T46
(100%)
+
STI_A_4
QMean=0.538
P4
:
(3 Cplx.)
RUN0
pKi= 6.5
200
9.5
1.9
103904307
1T46
(100%)
+
STI_A_4
QMean=0.538
P1
:
(7 Cplx.)
RUN1
pKi= 8.5
201
8.2
1.9
103904796
3EWH
(49%)
+
K11_A_2
QMean=0.539
P1
:
(5 Cplx.)
RUN1
pKi= 6.4
202
9.8
1.9
103904354
1T46
(100%)
+
STI_A_4
QMean=0.538
P1
:
(9 Cplx.)
RUN1
pKi= 8
203
8.0
1.9
103904336
3VHE
(49%)
+
42Q_A_2
QMean=0.508
P2
:
(5 Cplx.)
RUN2
pKi= 7.6
204
8.3
1.9
103905455
3CP9
(49%)
+
C19_B_4
QMean=0.518
P1
:
(7 Cplx.)
RUN2
pKi= 6.2
205
5.4
1.9
103905387
2P2I
(48%)
+
608_D_4
QMean=0.512
P2
:
(3 Cplx.)
RUN1
pKi= 6
206
8.1
1.9
103905075
3CPC
(49%)
+
C52_B_4
QMean=0.496
P1
:
(4 Cplx.)
RUN1
pKi= 6
207
7.0
1.9
103904912
1OPK
(40%)
+
P16_A_3
QMean=0.523
P1
:
(5 Cplx.)
RUN1
pKi= 6.6
208
10.8
1.9
103904289
4HW7
(59%)
+
64M_A_2
QMean=0.494
P1
:
(13 Cplx.)
RUN1
pKi= 8.7
209
9.1
1.9
103904996
2QU5
(49%)
+
276_A_2
QMean=0.483
P2
:
(3 Cplx.)
RUN0
pKi= 6
210
9.8
1.9
103904292
3VHE
(49%)
+
42Q_A_2
QMean=0.508
P1
:
(10 Cplx.)
RUN2
pKi= 8
211
8.2
1.9
103904316
3BE2
(49%)
+
RAJ_A_2
QMean=0.513
P2
:
(3 Cplx.)
RUN1
pKi= 6
212
10.3
1.9
103904319
3VHE
(49%)
+
42Q_A_2
QMean=0.508
P1
:
(13 Cplx.)
RUN0
pKi= 6.6
213
7.6
1.9
103904991
3CPC
(49%)
+
C52_B_4
QMean=0.496
P3
:
(4 Cplx.)
RUN2
pKi= 7.8
214
8.7
1.9
103904382
3VHE
(49%)
+
42Q_A_2
QMean=0.508
P1
:
(7 Cplx.)
RUN0
pKi= 9.1
215
9.0
1.9
103904305
3VHE
(49%)
+
42Q_A_2
QMean=0.508
P1
:
(6 Cplx.)
RUN2
pKi= 9.8
216
9.4
1.9
103904996
3CP9
(49%)
+
C19_B_4
QMean=0.518
P1
:
(8 Cplx.)
RUN2
pKi= 6
217
8.9
1.9
103904279
3BE2
(49%)
+
RAJ_A_2
QMean=0.513
P1
:
(6 Cplx.)
RUN2
pKi= 7.2
218
7.4
1.9
103904359
4HW7
(59%)
+
64M_A_2
QMean=0.494
P1
:
(9 Cplx.)
RUN2
pKi= 6.1
219
9.4
1.9
103905346
1T46
(100%)
+
STI_A_4
QMean=0.538
P1
:
(3 Cplx.)
RUN2
pKi= 7.7
220
6.6
2.0
103904739
3VHE
(49%)
+
42Q_A_2
QMean=0.508
P2
:
(3 Cplx.)
RUN2
pKi= 6.6
221
7.4
2.0
103904196
3B8Q
(49%)
+
900_A_3
QMean=0.498
P1
:
(8 Cplx.)
RUN1
pKi= 6.2
222
8.1
2.0
103904602
1T46
(100%)
+
STI_A_4
QMean=0.538
P1
:
(4 Cplx.)
RUN2
pKi= 7.1
223
8.5
2.0
103904603
3VO3
(45%)
+
0KF_A_2
QMean=0.387
P1
:
(5 Cplx.)
RUN2
pKi= 5.9
224
9.9
2.0
103904784
3CPC
(49%)
+
C52_B_4
QMean=0.496
P1
:
(4 Cplx.)
RUN2
pKi= 6
225
7.5
2.0
103904201
4HW7
(59%)
+
64M_A_2
QMean=0.494
P2
:
(4 Cplx.)
RUN2
pKi= 6
226
5.6
2.0
103904405
3VO3
(45%)
+
0KF_A_2
QMean=0.387
P2
:
(3 Cplx.)
RUN1
pKi= 7.2
227
6.3
2.0
103905055
2RL5
(49%)
+
2RL_A_2
QMean=0.465
P2
:
(5 Cplx.)
RUN1
pKi= 6.3
228
9.7
2.0
103904283
4HW7
(59%)
+
64M_A_2
QMean=0.494
P3
:
(3 Cplx.)
RUN1
pKi= 7.1
229
9.7
2.0
103904320
1T46
(100%)
+
STI_A_4
QMean=0.538
P1
:
(6 Cplx.)
RUN0
pKi= 7.6
230
8.1
2.0
103904991
3CPB
(49%)
+
C92_A_3
QMean=0.503
P1
:
(4 Cplx.)
RUN0
pKi= 7.8
231
8.9
2.0
103904371
3VHE
(49%)
+
42Q_A_2
QMean=0.508
P1
:
(13 Cplx.)
RUN0
pKi= 6.8
232
8.5
2.0
103904993
3VHE
(49%)
+
42Q_A_2
QMean=0.508
P1
:
(5 Cplx.)
RUN2
pKi= 6.3
233
8.9
2.0
103904994
3EWH
(49%)
+
K11_A_2
QMean=0.539
P2
:
(3 Cplx.)
RUN2
pKi= 6.8
234
8.6
2.0
103905539
3CP9
(49%)
+
C19_B_4
QMean=0.518
P1
:
(9 Cplx.)
RUN0
pKi= 8
235
9.9
2.0
103904317
3VHE
(49%)
+
42Q_A_2
QMean=0.508
P1
:
(14 Cplx.)
RUN2
pKi= 8.1
236
6.6
2.0
103904996
4HW7
(59%)
+
64M_A_2
QMean=0.494
P2
:
(3 Cplx.)
RUN1
pKi= 6
237
6.5
2.0
103904403
4HW7
(59%)
+
64M_A_2
QMean=0.494
P3
:
(3 Cplx.)
RUN1
pKi= 6.4
238
6.9
2.0
103904402
2P2I
(48%)
+
608_D_4
QMean=0.512
P2
:
(4 Cplx.)
RUN0
pKi= 6.8
239
9.1
2.0
103904315
3VHE
(49%)
+
42Q_A_2
QMean=0.508
P1
:
(8 Cplx.)
RUN2
pKi= 8.3
240
6.9
2.1
103905185
4AG8
(49%)
+
AXI_A_2
QMean=0.476
P1
:
(7 Cplx.)
RUN0
pKi= 5.8
241
7.2
2.1
103904277
3VHE
(49%)
+
42Q_A_2
QMean=0.508
P2
:
(4 Cplx.)
RUN2
pKi= 7.4
242
9.1
2.1
103904272
3VHE
(49%)
+
42Q_A_2
QMean=0.508
P1
:
(7 Cplx.)
RUN2
pKi= 7.8
243
8.3
2.1
103904338
3EWH
(49%)
+
K11_A_2
QMean=0.539
P1
:
(8 Cplx.)
RUN0
pKi= 9.5
244
9.9
2.1
103904292
3VHE
(49%)
+
42Q_A_2
QMean=0.508
P1
:
(8 Cplx.)
RUN0
pKi= 8
245
7.4
2.1
103904201
4HW7
(59%)
+
64M_A_2
QMean=0.494
P1
:
(5 Cplx.)
RUN0
pKi= 6
246
7.8
2.1
103904819
1OPK
(40%)
+
P16_A_3
QMean=0.523
P1
:
(19 Cplx.)
RUN2
pKi= 6.1
247
7.7
2.1
103904993
1OPK
(40%)
+
P16_A_3
QMean=0.523
P2
:
(3 Cplx.)
RUN0
pKi= 6.3
248
9.3
2.1
103904272
3VHE
(49%)
+
42Q_A_2
QMean=0.508
P1
:
(8 Cplx.)
RUN0
pKi= 7.8
249
9.5
2.1
103904326
4HW7
(59%)
+
64M_A_2
QMean=0.494
P1
:
(12 Cplx.)
RUN2
pKi= 7.9
250
5.4
2.1
103905558
3VHE
(49%)
+
42Q_A_2
QMean=0.508
P2
:
(3 Cplx.)
RUN1
pKi= 6.4
251
7.6
2.1
103904359
4HW7
(59%)
+
64M_A_2
QMean=0.494
P1
:
(6 Cplx.)
RUN0
pKi= 6.1
252
8.9
2.1
103904285
3VHE
(49%)
+
42Q_A_2
QMean=0.508
P1
:
(9 Cplx.)
RUN2
pKi= 7.3
253
6.8
2.1
103904402
3CP9
(49%)
+
C19_B_4
QMean=0.518
P2
:
(5 Cplx.)
RUN2
pKi= 6.8
254
9.7
2.1
103904285
3VHE
(49%)
+
42Q_A_2
QMean=0.508
P1
:
(9 Cplx.)
RUN0
pKi= 7.3
255
7.6
2.1
103905075
3EFL
(48%)
+
706_B_4
QMean=0.543
P2
:
(4 Cplx.)
RUN2
pKi= 6
256
7.0
2.1
103904370
3BE2
(49%)
+
RAJ_A_2
QMean=0.513
P1
:
(6 Cplx.)
RUN0
pKi= 5.9
257
8.2
2.1
103904301
1OPK
(40%)
+
P16_A_3
QMean=0.523
P2
:
(4 Cplx.)
RUN2
pKi= 9
258
9.1
2.1
103904283
1T46
(100%)
+
STI_A_4
QMean=0.538
P2
:
(5 Cplx.)
RUN2
pKi= 7.1
259
7.2
2.2
103904307
3CPC
(49%)
+
C52_B_4
QMean=0.496
P1
:
(5 Cplx.)
RUN0
pKi= 8.5
260
8.9
2.2
103904785
1OPK
(40%)
+
P16_A_3
QMean=0.523
P1
:
(4 Cplx.)
RUN2
pKi= 6.9
261
8.8
2.2
103904309
3BE2
(49%)
+
RAJ_A_2
QMean=0.513
P1
:
(16 Cplx.)
RUN1
pKi= 8.3
262
9.3
2.2
103904300
3VHE
(49%)
+
42Q_A_2
QMean=0.508
P1
:
(11 Cplx.)
RUN0
pKi= 7.1
263
9.7
2.2
103904290
3VHE
(49%)
+
42Q_A_2
QMean=0.508
P1
:
(15 Cplx.)
RUN0
pKi= 8.1
264
7.9
2.2
103904196
3B8Q
(49%)
+
900_A_3
QMean=0.498
P2
:
(5 Cplx.)
RUN0
pKi= 6.2
265
7.7
2.2
103905429
3EFL
(48%)
+
706_B_4
QMean=0.543
P1
:
(5 Cplx.)
RUN2
pKi= 6.9
266
7.6
2.2
103905649
4HW7
(59%)
+
64M_A_2
QMean=0.494
P1
:
(8 Cplx.)
RUN2
pKi= 6.5
267
8.1
2.2
103904796
3EFL
(48%)
+
706_B_4
QMean=0.543
P2
:
(4 Cplx.)
RUN2
pKi= 6.4
268
10.5
2.2
103904354
3VHE
(49%)
+
42Q_A_2
QMean=0.508
P1
:
(9 Cplx.)
RUN0
pKi= 8
269
10.2
2.2
103904288
4HW7
(59%)
+
64M_A_2
QMean=0.494
P1
:
(13 Cplx.)
RUN1
pKi= 8.3
270
8.2
2.2
103904994
3RI1
(43%)
+
3RH_A_3
QMean=0.542
P1
:
(4 Cplx.)
RUN0
pKi= 6.8
271
6.7
2.2
103904403
4HW7
(59%)
+
64M_A_2
QMean=0.494
P2
:
(3 Cplx.)
RUN2
pKi= 6.4
272
8.7
2.2
103905342
3CP9
(49%)
+
C19_B_4
QMean=0.518
P1
:
(7 Cplx.)
RUN2
pKi= 5.5
273
10.0
2.2
103904303
3VHE
(49%)
+
42Q_A_2
QMean=0.508
P1
:
(9 Cplx.)
RUN0
pKi= 7.4
274
7.2
2.2
103904991
3CPC
(49%)
+
C52_B_4
QMean=0.496
P1
:
(4 Cplx.)
RUN1
pKi= 7.8
275
8.0
2.2
103905342
4HW7
(59%)
+
64M_A_2
QMean=0.494
P2
:
(3 Cplx.)
RUN1
pKi= 5.5
276
5.7
2.2
103904983
3CP9
(49%)
+
C19_B_4
QMean=0.518
P1
:
(4 Cplx.)
RUN1
pKi= 6.4
277
7.0
2.2
103904912
1OPK
(40%)
+
P16_A_3
QMean=0.523
P1
:
(10 Cplx.)
RUN2
pKi= 6.6
278
7.8
2.2
103905682
3B8Q
(49%)
+
900_A_3
QMean=0.498
P1
:
(4 Cplx.)
RUN2
pKi= 5.8
279
7.6
2.2
103905035
3BE2
(49%)
+
RAJ_A_2
QMean=0.513
P1
:
(6 Cplx.)
RUN0
pKi= 8.7
280
8.3
2.2
103904336
3VHE
(49%)
+
42Q_A_2
QMean=0.508
P2
:
(3 Cplx.)
RUN0
pKi= 7.6
281
6.8
2.2
103904783
3BE2
(49%)
+
RAJ_A_2
QMean=0.513
P1
:
(7 Cplx.)
RUN1
pKi= 6.3
282
6.9
2.2
103904783
3BE2
(49%)
+
RAJ_A_2
QMean=0.513
P1
:
(9 Cplx.)
RUN2
pKi= 6.3
283
7.6
2.2
103904286
4HW7
(59%)
+
64M_A_2
QMean=0.494
P3
:
(3 Cplx.)
RUN0
pKi= 6.1
284
9.5
2.2
103904341
4HW7
(59%)
+
64M_A_2
QMean=0.494
P2
:
(4 Cplx.)
RUN0
pKi= 7.4
285
7.9
2.2
103904422
3CPC
(49%)
+
C52_B_4
QMean=0.496
P1
:
(5 Cplx.)
RUN1
pKi= 6.1
286
10.3
2.2
103904325
3CPB
(49%)
+
C92_A_3
QMean=0.503
P1
:
(12 Cplx.)
RUN2
pKi= 6.3
287
7.9
2.2
103904310
3VHE
(49%)
+
42Q_A_2
QMean=0.508
P2
:
(4 Cplx.)
RUN0
pKi= 8.5
288
8.8
2.2
103904752
4HVS
(78%)
+
647_A_2
QMean=0.509
P2
:
(4 Cplx.)
RUN1
pKi= 6.2
289
7.1
2.2
103904309
4HW7
(59%)
+
64M_A_2
QMean=0.494
P1
:
(5 Cplx.)
RUN2
pKi= 8.3
290
9.0
2.2
103904318
1T46
(100%)
+
STI_A_4
QMean=0.538
P2
:
(4 Cplx.)
RUN0
pKi= 8.8
291
7.6
2.3
103904739
4HW7
(59%)
+
64M_A_2
QMean=0.494
P1
:
(7 Cplx.)
RUN0
pKi= 6.6
292
6.5
2.3
103904373
3CPC
(49%)
+
C52_B_4
QMean=0.496
P2
:
(3 Cplx.)
RUN0
pKi= 9.3
293
8.7
2.3
103904318
1T46
(100%)
+
STI_A_4
QMean=0.538
P1
:
(6 Cplx.)
RUN2
pKi= 8.8
294
6.6
2.3
103905231
1T46
(100%)
+
STI_A_4
QMean=0.538
P2
:
(3 Cplx.)
RUN2
pKi= 6.5
295
9.7
2.3
103904321
1T46
(100%)
+
STI_A_4
QMean=0.538
P1
:
(11 Cplx.)
RUN1
pKi= 6.2
296
8.0
2.3
103904819
1OPK
(40%)
+
P16_A_3
QMean=0.523
P1
:
(19 Cplx.)
RUN1
pKi= 6.1
297
7.6
2.3
103904785
2QU6
(49%)
+
857_B_5
QMean=0.477
P1
:
(3 Cplx.)
RUN1
pKi= 6.9
298
8.5
2.3
103904811
2QU5
(49%)
+
276_A_2
QMean=0.483
P2
:
(3 Cplx.)
RUN2
pKi= 7.7
299
6.0
2.3
103904876
3CP9
(49%)
+
C19_B_4
QMean=0.518
P1
:
(4 Cplx.)
RUN2
pKi= 6.7
300
7.2
2.3
103904684
3VHE
(49%)
+
42Q_A_2
QMean=0.508
P4
:
(3 Cplx.)
RUN2
pKi= 7.7
301
10.2
2.3
103904317
3VHE
(49%)
+
42Q_A_2
QMean=0.508
P1
:
(11 Cplx.)
RUN0
pKi= 8.1
302
9.8
2.3
103904287
3VHE
(49%)
+
42Q_A_2
QMean=0.508
P1
:
(8 Cplx.)
RUN0
pKi= 6.2
303
7.5
2.3
103904301
3TT0
(41%)
+
07J_B_7
QMean=0.483
P3
:
(4 Cplx.)
RUN0
pKi= 9
304
7.8
2.3
103905649
3U6J
(49%)
+
03X_A_2
QMean=0.492
P1
:
(9 Cplx.)
RUN1
pKi= 6.5
305
6.4
2.3
103905055
3CPB
(49%)
+
C92_A_3
QMean=0.503
P2
:
(4 Cplx.)
RUN2
pKi= 6.3
306
8.7
2.3
103904372
3VHE
(49%)
+
42Q_A_2
QMean=0.508
P1
:
(14 Cplx.)
RUN0
pKi= 9.1
307
7.6
2.3
103904784
2QU6
(49%)
+
857_B_5
QMean=0.477
P1
:
(3 Cplx.)
RUN1
pKi= 6
308
7.6
2.3
103904592
3EFL
(48%)
+
706_B_4
QMean=0.543
P1
:
(7 Cplx.)
RUN2
pKi= 6.2
309
7.7
2.3
103904306
4HW7
(59%)
+
64M_A_2
QMean=0.494
P2
:
(3 Cplx.)
RUN0
pKi= 9.1
310
8.7
2.4
103904603
2QU5
(49%)
+
276_A_2
QMean=0.483
P1
:
(4 Cplx.)
RUN0
pKi= 5.9
311
10.3
2.4
103904289
3VHE
(49%)
+
42Q_A_2
QMean=0.508
P1
:
(14 Cplx.)
RUN0
pKi= 8.7
312
6.7
2.4
103905185
4AG8
(49%)
+
AXI_A_2
QMean=0.476
P2
:
(4 Cplx.)
RUN2
pKi= 5.8
313
6.5
2.4
103905231
1OPK
(40%)
+
P16_A_3
QMean=0.523
P1
:
(3 Cplx.)
RUN1
pKi= 6.5
314
8.3
2.4
103905342
4HW7
(59%)
+
64M_A_2
QMean=0.494
P1
:
(4 Cplx.)
RUN0
pKi= 5.5
315
6.1
2.4
103904595
3EFL
(48%)
+
706_B_4
QMean=0.543
P1
:
(5 Cplx.)
RUN2
pKi= 6.3
316
9.7
2.4
103904321
1OPK
(40%)
+
P16_A_3
QMean=0.523
P1
:
(9 Cplx.)
RUN0
pKi= 6.2
317
8.0
2.4
103905094
1OPK
(40%)
+
P16_A_3
QMean=0.523
P1
:
(16 Cplx.)
RUN2
pKi= 6.5
318
8.6
2.4
103904739
2HZ0
(31%)
+
GIN_B_4
QMean=0.394
P1
:
(10 Cplx.)
RUN1
pKi= 6.6
319
7.6
2.4
103904316
3EWH
(49%)
+
K11_A_2
QMean=0.539
P4
:
(3 Cplx.)
RUN2
pKi= 6
320
10.0
2.4
103904754
3U6J
(49%)
+
03X_A_2
QMean=0.492
P1
:
(4 Cplx.)
RUN0
pKi= 6.9
321
8.5
2.4
103904752
2QU5
(49%)
+
276_A_2
QMean=0.483
P1
:
(6 Cplx.)
RUN0
pKi= 6.2
322
7.2
2.4
103904309
4HW7
(59%)
+
64M_A_2
QMean=0.494
P3
:
(3 Cplx.)
RUN0
pKi= 8.3
323
10.3
2.4
103905346
3VNT
(45%)
+
0JA_A_2
QMean=0.382
P1
:
(4 Cplx.)
RUN0
pKi= 7.7
324
9.7
2.4
103904293
4HW7
(59%)
+
64M_A_2
QMean=0.494
P1
:
(11 Cplx.)
RUN2
pKi= 8.1
325
6.3
2.4
103904595
3VO3
(45%)
+
0KF_A_2
QMean=0.387
P3
:
(3 Cplx.)
RUN0
pKi= 6.3
326
9.8
2.4
103904293
4HW7
(59%)
+
64M_A_2
QMean=0.494
P1
:
(10 Cplx.)
RUN0
pKi= 8.1
327
6.3
2.5
103904503
1Y6B
(47%)
+
AAX_B_2
QMean=0.545
P1
:
(5 Cplx.)
RUN2
pKi= 6
328
8.1
2.5
103905094
1OPK
(40%)
+
P16_A_3
QMean=0.523
P1
:
(16 Cplx.)
RUN0
pKi= 6.5
329
8.1
2.5
103905429
3CP9
(49%)
+
C19_B_4
QMean=0.518
P1
:
(7 Cplx.)
RUN1
pKi= 6.9
330
9.2
2.5
103904811
3BE2
(49%)
+
RAJ_A_2
QMean=0.513
P1
:
(3 Cplx.)
RUN1
pKi= 7.7
331
5.9
2.5
103904503
1OPK
(40%)
+
P16_A_3
QMean=0.523
P1
:
(4 Cplx.)
RUN1
pKi= 6
332
8.3
2.5
103905649
3U6J
(49%)
+
03X_A_2
QMean=0.492
P1
:
(7 Cplx.)
RUN0
pKi= 6.5
333
8.6
2.5
103905094
1OPK
(40%)
+
P16_A_3
QMean=0.523
P1
:
(12 Cplx.)
RUN1
pKi= 6.5
334
6.2
2.5
103905185
3VHE
(49%)
+
42Q_A_2
QMean=0.508
P3
:
(3 Cplx.)
RUN1
pKi= 5.8
335
9.6
2.5
103904322
3EWH
(49%)
+
K11_A_2
QMean=0.539
P2
:
(7 Cplx.)
RUN0
pKi= 7.4
336
9.7
2.5
103904326
4AG8
(49%)
+
AXI_A_2
QMean=0.476
P1
:
(11 Cplx.)
RUN0
pKi= 7.9
337
7.2
2.5
103904604
4AG8
(49%)
+
AXI_A_2
QMean=0.476
P1
:
(8 Cplx.)
RUN2
pKi= 6.3
338
10.4
2.5
103904325
2RL5
(49%)
+
2RL_A_2
QMean=0.465
P1
:
(11 Cplx.)
RUN0
pKi= 6.3
339
6.7
2.5
103904595
1T46
(100%)
+
STI_A_4
QMean=0.538
P2
:
(3 Cplx.)
RUN1
pKi= 6.3
Correlation coefficient (Pearson) between mesured and calculated pKd: R=0.35
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