Screening Results : Docking based on all models from entry : JAK2_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
103904189
103904190
103904192
103904193
103904198
103904199
103904200
103904201
103904202
103904203
103904205
103904209
103904214
103904215
103904216
103904217
103904219
103904220
103904271
103904272
103904274
103904275
103904276
103904277
103904279
103904285
103904289
103904292
103904297
103904300
103904302
103904307
103904308
103904309
103904310
103904313
103904320
103904325
103904335
103904336
103904358
103904366
103904370
103904402
103904403
103904404
103904405
103904406
103904441
103904442
103904458
103904462
103904465
103904466
103904468
103904471
103904472
103904479
103904482
103904483
103904485
103904487
103904489
103904505
103904506
103904508
103904511
103904512
103904514
103904519
103904523
103904525
103904526
103904567
103904568
103904590
103904591
103904592
103904593
103904594
103904595
103904596
103904598
103904599
103904601
103904602
103904603
103904604
103904605
103904610
103904612
103904614
103904636
103904639
103904640
103904644
103904649
103904658
103904662
103904684
103904722
103904723
103904725
103904731
103904735
103904736
103904739
103904741
103904742
103904743
103904752
103904754
103904782
103904784
103904785
103904789
103904806
103904807
103904815
103904818
103904819
103904821
103904825
103904826
103904859
103904862
103904863
103904864
103904865
103904867
103904868
103904880
103904904
103904905
103904906
103904917
103904918
103904923
103904925
103904953
103904976
103904977
103904984
103904985
103904988
103905004
103905009
103905010
103905011
103905025
103905026
103905032
103905033
103905055
103905073
103905089
103905093
103905094
103905095
103905107
103905111
103905112
103905113
103905117
103905122
103905136
103905137
103905159
103905160
103905172
103905182
103905200
103905203
103905212
103905213
103905214
103905215
103905219
103905226
103905230
103905232
103905233
103905245
103905246
103905247
103905250
103905251
103905259
103905272
103905273
103905274
103905275
103905276
103905282
103905283
103905295
103905297
103905306
103905313
103905361
103905362
103905366
103905368
103905404
103905406
103905407
103905419
103905420
103905428
103905429
103905449
103905450
103905456
103905460
103905474
103905478
103905479
103905488
103905504
103905508
103905511
103905521
103905528
103905531
103905543
103905552
103905557
103905558
103905560
103905574
103905575
103905576
103905594
103905598
103905601
103905603
103905604
103905605
103905607
103905608
103905610
103905616
103905620
103905627
103905639
103905648
103905652
103905657
103905668
103905680
103905682
103905683
103905684
4C61_LMM
4C62_XWW
4D0W_VVQ
4D0X_953
4D1S_BJG
4JI9_1M3
4JIA_1K3
4P7E_2HB
5AEP_QUP
Complex support
[Template
(Ident)
+ Anchor]
Model Quality
(QMean)
Position of Lig.
Study
Measure
1
8.1
1.8
103904917
4HVH
(61%)
+
19R_A_2
QMean=0.507
P1
:
(4 Cplx.)
RUN1
pKi= 9.9
2
8.4
1.9
103904917
4HVG
(61%)
+
19Q_A_2
QMean=0.522
P1
:
(4 Cplx.)
RUN0
pKi= 9.9
3
8.2
1.8
103904917
4GII
(53%)
+
0X6_A_2
QMean=0.485
P1
:
(7 Cplx.)
RUN2
pKi= 9.9
4
8.4
2.1
103904592
3EQR
(40%)
+
T74_A_3
QMean=0.429
P1
:
(7 Cplx.)
RUN0
pKi= 9.1
5
8.1
1.8
103905531
4HVG
(61%)
+
19Q_A_2
QMean=0.522
P1
:
(11 Cplx.)
RUN1
pKi= 9.1
6
6.2
1.5
103905276
4HVD
(61%)
+
933_A_3
QMean=0.517
P2
:
(3 Cplx.)
RUN2
pKi= 9.1
7
7.5
2.4
103905276
1M52
(35%)
+
P17_A_5
QMean=0.457
P2
:
(3 Cplx.)
RUN0
pKi= 9.1
8
8.4
2.0
103904592
4BBE
(99%)
+
3O4_A_5
QMean=0.474
P3
:
(3 Cplx.)
RUN2
pKi= 9.1
9
8.3
2.3
103904591
4AOJ
(34%)
+
V4Z_C_10
QMean=0.516
P1
:
(5 Cplx.)
RUN1
pKi= 9.1
10
5.5
2.1
103904918
4ID7
(40%)
+
1G0_A_2
QMean=0.458
P1
:
(5 Cplx.)
RUN2
pKi= 9.1
11
8.4
1.6
103904591
4BBE
(99%)
+
3O4_A_5
QMean=0.474
P1
:
(6 Cplx.)
RUN0
pKi= 9.1
12
7.3
2.2
103904591
4E1Z
(53%)
+
0MX_A_2
QMean=0.494
P1
:
(4 Cplx.)
RUN2
pKi= 9.1
13
6.7
1.8
103904918
3LXL
(62%)
+
IZA_A_2
QMean=0.516
P1
:
(5 Cplx.)
RUN1
pKi= 9.1
14
8.1
1.5
103905531
4GJ3
(53%)
+
0XP_A_2
QMean=0.479
P1
:
(11 Cplx.)
RUN2
pKi= 9.1
15
6.2
1.5
103905276
4GII
(53%)
+
0X6_A_2
QMean=0.485
P2
:
(3 Cplx.)
RUN1
pKi= 9.1
16
7.8
1.8
103905531
4HVH
(61%)
+
19R_A_2
QMean=0.507
P1
:
(6 Cplx.)
RUN0
pKi= 9.1
17
7.8
2.2
103904472
1FPU
(35%)
+
PRC_C_3
QMean=0.462
P2
:
(3 Cplx.)
RUN2
pKi= 8.8
18
7.4
1.0
103904472
4E20
(53%)
+
0MY_A_2
QMean=0.475
P2
:
(3 Cplx.)
RUN1
pKi= 8.8
19
7.8
0.8
103905272
4AOJ
(34%)
+
V4Z_C_10
QMean=0.516
P1
:
(3 Cplx.)
RUN0
pKi= 8.7
20
7.7
1.2
103905272
4E1Z
(53%)
+
0MX_A_2
QMean=0.494
P1
:
(5 Cplx.)
RUN1
pKi= 8.7
21
7.8
0.8
103905272
4AOJ
(34%)
+
V4Z_C_10
QMean=0.516
P1
:
(10 Cplx.)
RUN2
pKi= 8.7
22
7.7
1.9
103904599
4BBF
(99%)
+
O19_D_8
QMean=0.527
P1
:
(4 Cplx.)
RUN0
pKi= 8.6
23
7.5
2.0
103904599
4E20
(53%)
+
0MY_A_2
QMean=0.475
P1
:
(4 Cplx.)
RUN2
pKi= 8.6
24
7.2
2.1
103904406
4E20
(53%)
+
0MY_A_2
QMean=0.475
P1
:
(5 Cplx.)
RUN2
pKi= 8.6
25
7.7
0.7
103905610
3NZ0
(52%)
+
IZA_A_2
QMean=0.442
P2
:
(6 Cplx.)
RUN0
pKi= 8.6
26
7.5
2.2
103904406
4BBE
(99%)
+
3O4_D_8
QMean=0.472
P1
:
(6 Cplx.)
RUN0
pKi= 8.6
27
7.7
1.7
103905610
3LXK
(62%)
+
MI1_A_2
QMean=0.470
P1
:
(10 Cplx.)
RUN1
pKi= 8.6
28
7.5
1.7
103905610
3LXK
(62%)
+
MI1_A_2
QMean=0.470
P1
:
(10 Cplx.)
RUN2
pKi= 8.6
29
7.1
2.3
103904599
4GJ2
(53%)
+
0XH_A_2
QMean=0.468
P1
:
(4 Cplx.)
RUN1
pKi= 8.6
30
7.0
2.3
103904406
4GJ3
(53%)
+
0XP_A_2
QMean=0.479
P1
:
(5 Cplx.)
RUN1
pKi= 8.6
31
6.4
2.0
103905273
4E1Z
(53%)
+
0MX_A_2
QMean=0.494
P1
:
(3 Cplx.)
RUN1
pKi= 8.5
32
6.6
1.6
103905273
4HVD
(61%)
+
933_A_3
QMean=0.517
P3
:
(3 Cplx.)
RUN2
pKi= 8.5
33
7.9
2.1
103905488
4BBE
(99%)
+
3O4_A_5
QMean=0.474
P3
:
(3 Cplx.)
RUN0
pKi= 8.4
34
8.2
1.4
103905488
3LXL
(62%)
+
IZA_A_2
QMean=0.516
P2
:
(4 Cplx.)
RUN2
pKi= 8.4
35
9.2
2.1
103904596
4BBE
(99%)
+
3O4_A_5
QMean=0.474
P1
:
(7 Cplx.)
RUN0
pKi= 8.4
36
6.3
1.4
103904605
4GJ2
(53%)
+
0XH_A_2
QMean=0.468
P1
:
(5 Cplx.)
RUN2
pKi= 8.4
37
6.9
2.0
103905488
4GII
(53%)
+
0X6_A_2
QMean=0.485
P1
:
(4 Cplx.)
RUN1
pKi= 8.4
38
8.1
2.2
103904596
4GIH
(53%)
+
0X5_A_2
QMean=0.467
P1
:
(6 Cplx.)
RUN1
pKi= 8.4
39
5.9
1.9
103905419
4HVG
(61%)
+
19Q_A_2
QMean=0.522
P2
:
(3 Cplx.)
RUN2
pKi= 8.4
40
5.3
0.6
103905419
3LXK
(62%)
+
MI1_A_2
QMean=0.470
P1
:
(4 Cplx.)
RUN1
pKi= 8.4
41
8.0
2.2
103904739
3UGC
(99%)
+
046_A_2
QMean=0.554
P1
:
(4 Cplx.)
RUN1
pKi= 8.4
42
8.9
2.0
103904596
4GIH
(53%)
+
0X5_A_2
QMean=0.467
P1
:
(5 Cplx.)
RUN2
pKi= 8.4
43
6.9
2.0
103904605
3EQR
(40%)
+
T74_A_3
QMean=0.429
P2
:
(5 Cplx.)
RUN0
pKi= 8.4
44
6.2
2.0
103904605
3LXK
(62%)
+
MI1_A_2
QMean=0.470
P1
:
(4 Cplx.)
RUN1
pKi= 8.4
45
9.1
1.4
103905251
4E20
(53%)
+
0MY_A_2
QMean=0.475
P2
:
(5 Cplx.)
RUN2
pKi= 8.3
46
8.1
2.3
103905111
2HYY
(35%)
+
STI_D_8
QMean=0.460
P1
:
(12 Cplx.)
RUN0
pKi= 8.3
47
7.0
2.3
103905111
4GIH
(53%)
+
0X5_A_2
QMean=0.467
P1
:
(8 Cplx.)
RUN1
pKi= 8.3
48
7.1
2.1
103905603
2Z60
(35%)
+
P3Y_A_2
QMean=0.472
P3
:
(3 Cplx.)
RUN1
pKi= 8.3
49
8.7
1.5
103905251
4E20
(53%)
+
0MY_A_2
QMean=0.475
P1
:
(9 Cplx.)
RUN1
pKi= 8.3
50
9.2
1.4
103905251
4BBE
(99%)
+
3O4_A_5
QMean=0.474
P1
:
(8 Cplx.)
RUN0
pKi= 8.3
51
7.4
2.0
103905111
3CS9
(35%)
+
NIL_A_5
QMean=0.444
P1
:
(5 Cplx.)
RUN2
pKi= 8.3
52
6.9
2.2
103904612
3EQR
(40%)
+
T74_B_5
QMean=0.466
P1
:
(7 Cplx.)
RUN0
pKi= 8.2
53
6.3
1.6
103904612
4GJ2
(53%)
+
0XH_A_2
QMean=0.468
P1
:
(4 Cplx.)
RUN2
pKi= 8.2
54
6.4
2.1
103904612
4GJ2
(53%)
+
0XH_A_2
QMean=0.468
P1
:
(4 Cplx.)
RUN1
pKi= 8.2
55
7.4
2.3
103904402
4GJ2
(53%)
+
0XH_A_2
QMean=0.468
P1
:
(6 Cplx.)
RUN2
pKi= 8
56
7.6
1.8
103904402
4BBF
(99%)
+
O19_D_8
QMean=0.527
P1
:
(4 Cplx.)
RUN0
pKi= 8
57
8.2
2.0
103904309
3CS9
(35%)
+
NIL_A_5
QMean=0.444
P1
:
(4 Cplx.)
RUN1
pKi= 8
58
5.9
2.2
103904309
4GII
(53%)
+
0X6_A_2
QMean=0.485
P2
:
(4 Cplx.)
RUN0
pKi= 8
59
7.3
1.6
103905137
2Z60
(35%)
+
P3Y_A_2
QMean=0.472
P1
:
(4 Cplx.)
RUN1
pKi= 7.9
60
6.9
1.8
103905504
2F4J
(35%)
+
VX6_B_2
QMean=0.467
P1
:
(6 Cplx.)
RUN0
pKi= 7.9
61
7.0
1.4
103905004
2G2H
(35%)
+
P16_A_3
QMean=0.457
P2
:
(4 Cplx.)
RUN2
pKi= 7.9
62
8.5
2.4
103905137
2HYY
(35%)
+
STI_A_5
QMean=0.423
P2
:
(4 Cplx.)
RUN0
pKi= 7.9
63
6.5
1.6
103905504
4E20
(53%)
+
0MY_A_2
QMean=0.475
P2
:
(3 Cplx.)
RUN1
pKi= 7.9
64
9.0
2.3
103905250
4HVD
(61%)
+
933_A_3
QMean=0.517
P1
:
(6 Cplx.)
RUN2
pKi= 7.9
65
8.1
2.3
103904465
2HZI
(35%)
+
JIN_A_3
QMean=0.444
P2
:
(4 Cplx.)
RUN0
pKi= 7.9
66
8.7
1.5
103905250
4E20
(53%)
+
0MY_A_2
QMean=0.475
P2
:
(5 Cplx.)
RUN1
pKi= 7.9
67
5.8
1.5
103905504
4GII
(53%)
+
0X6_A_2
QMean=0.485
P1
:
(4 Cplx.)
RUN2
pKi= 7.9
68
7.4
2.0
103905004
3KF4
(35%)
+
B90_B_4
QMean=0.433
P1
:
(13 Cplx.)
RUN0
pKi= 7.9
69
7.1
1.7
103904465
4GIH
(53%)
+
0X5_A_2
QMean=0.467
P1
:
(4 Cplx.)
RUN1
pKi= 7.9
70
6.0
1.2
103904465
4E1Z
(53%)
+
0MX_A_2
QMean=0.494
P3
:
(3 Cplx.)
RUN2
pKi= 7.9
71
6.6
1.8
103905004
4GII
(53%)
+
0X6_A_2
QMean=0.485
P1
:
(7 Cplx.)
RUN1
pKi= 7.9
72
9.2
2.3
103905250
4HVG
(61%)
+
19Q_A_2
QMean=0.522
P1
:
(6 Cplx.)
RUN0
pKi= 7.9
73
6.2
1.5
103905055
4E1Z
(53%)
+
0MX_A_2
QMean=0.494
P2
:
(4 Cplx.)
RUN1
pKi= 7.8
74
6.7
1.7
103904610
4BBF
(99%)
+
O19_D_8
QMean=0.527
P1
:
(10 Cplx.)
RUN0
pKi= 7.8
75
6.8
1.5
103905055
4E1Z
(53%)
+
0MX_A_2
QMean=0.494
P2
:
(4 Cplx.)
RUN2
pKi= 7.8
76
6.4
2.2
103904610
4GII
(53%)
+
0X6_A_2
QMean=0.485
P1
:
(8 Cplx.)
RUN2
pKi= 7.8
77
7.4
1.3
103904644
4BBE
(99%)
+
3O4_A_5
QMean=0.474
P1
:
(5 Cplx.)
RUN1
pKi= 7.8
78
6.1
1.6
103904610
4BBE
(99%)
+
3O4_A_5
QMean=0.474
P1
:
(6 Cplx.)
RUN1
pKi= 7.8
79
8.2
1.6
103904644
4BBE
(99%)
+
3O4_A_5
QMean=0.474
P2
:
(5 Cplx.)
RUN2
pKi= 7.8
80
7.8
1.8
103904644
3LXK
(62%)
+
MI1_A_2
QMean=0.470
P1
:
(5 Cplx.)
RUN0
pKi= 7.8
81
7.2
2.0
103904985
2Z60
(35%)
+
P3Y_A_2
QMean=0.472
P3
:
(3 Cplx.)
RUN2
pKi= 7.7
82
7.6
2.4
103904603
4GJ3
(53%)
+
0XP_A_2
QMean=0.479
P1
:
(5 Cplx.)
RUN2
pKi= 7.7
83
8.0
1.8
103904279
3CS9
(35%)
+
NIL_A_5
QMean=0.444
P1
:
(4 Cplx.)
RUN1
pKi= 7.7
84
6.8
2.2
103904603
4GII
(53%)
+
0X6_A_2
QMean=0.485
P1
:
(5 Cplx.)
RUN1
pKi= 7.7
85
9.0
2.2
103904603
4BBE
(99%)
+
3O4_A_5
QMean=0.474
P2
:
(4 Cplx.)
RUN0
pKi= 7.7
86
6.8
2.2
103904636
4GJ2
(53%)
+
0XH_A_2
QMean=0.468
P2
:
(4 Cplx.)
RUN1
pKi= 7.6
87
7.1
2.3
103904636
4GII
(53%)
+
0X6_A_2
QMean=0.485
P2
:
(5 Cplx.)
RUN0
pKi= 7.6
88
7.2
1.1
103905558
4E1Z
(53%)
+
0MX_A_2
QMean=0.494
P3
:
(3 Cplx.)
RUN1
pKi= 7.6
89
6.2
1.4
103904595
4GJ2
(53%)
+
0XH_A_2
QMean=0.468
P1
:
(4 Cplx.)
RUN1
pKi= 7.6
90
7.2
1.5
103904595
4GIH
(53%)
+
0X5_A_2
QMean=0.467
P2
:
(4 Cplx.)
RUN2
pKi= 7.6
91
7.0
1.6
103904636
2G2H
(35%)
+
P16_A_3
QMean=0.457
P3
:
(3 Cplx.)
RUN2
pKi= 7.6
92
6.7
1.4
103905558
4AOJ
(34%)
+
V4Z_C_10
QMean=0.516
P2
:
(3 Cplx.)
RUN2
pKi= 7.6
93
7.2
1.1
103904404
4GJ2
(53%)
+
0XH_A_2
QMean=0.468
P1
:
(4 Cplx.)
RUN2
pKi= 7.5
94
7.3
2.2
103904594
3EQR
(40%)
+
T74_B_5
QMean=0.466
P1
:
(5 Cplx.)
RUN0
pKi= 7.5
95
8.1
2.0
103904785
4GJ3
(53%)
+
0XP_A_2
QMean=0.479
P3
:
(3 Cplx.)
RUN2
pKi= 7.5
96
6.7
1.5
103904604
4BBE
(99%)
+
3O4_A_5
QMean=0.474
P2
:
(3 Cplx.)
RUN2
pKi= 7.5
97
5.9
1.2
103904604
4GIH
(53%)
+
0X5_A_2
QMean=0.467
P2
:
(3 Cplx.)
RUN1
pKi= 7.5
98
7.4
1.9
103904604
3EQR
(40%)
+
T74_B_5
QMean=0.466
P1
:
(4 Cplx.)
RUN0
pKi= 7.5
99
5.8
1.9
103904594
4GJ3
(53%)
+
0XP_A_2
QMean=0.479
P1
:
(4 Cplx.)
RUN1
pKi= 7.5
100
7.7
1.2
103904404
4BBF
(99%)
+
O19_D_8
QMean=0.527
P3
:
(3 Cplx.)
RUN0
pKi= 7.5
101
7.2
1.0
103904405
4BBE
(99%)
+
3O4_A_5
QMean=0.474
P1
:
(5 Cplx.)
RUN2
pKi= 7.5
102
6.4
1.8
103904404
2F4J
(35%)
+
VX6_B_2
QMean=0.467
P1
:
(4 Cplx.)
RUN1
pKi= 7.5
103
6.9
1.4
103904192
4HVH
(61%)
+
19R_A_2
QMean=0.507
P1
:
(3 Cplx.)
RUN2
pKi= 7.5
104
9.3
2.3
103904785
1M52
(35%)
+
P17_A_5
QMean=0.457
P2
:
(3 Cplx.)
RUN0
pKi= 7.5
105
6.5
1.6
103904594
4GJ3
(53%)
+
0XP_A_2
QMean=0.479
P2
:
(4 Cplx.)
RUN2
pKi= 7.5
106
8.6
2.0
103904785
4GJ2
(53%)
+
0XH_A_2
QMean=0.468
P1
:
(3 Cplx.)
RUN1
pKi= 7.5
107
7.6
1.2
103904405
4BBF
(99%)
+
O19_D_8
QMean=0.527
P2
:
(5 Cplx.)
RUN0
pKi= 7.5
108
5.9
2.2
103904405
2G2H
(35%)
+
P16_A_3
QMean=0.457
P2
:
(4 Cplx.)
RUN1
pKi= 7.5
109
6.3
1.4
103904192
4HVH
(61%)
+
19R_A_2
QMean=0.507
P1
:
(4 Cplx.)
RUN1
pKi= 7.5
110
6.4
1.6
103904593
4GJ2
(53%)
+
0XH_A_2
QMean=0.468
P1
:
(4 Cplx.)
RUN2
pKi= 7.4
111
6.6
2.2
103904593
4GIH
(53%)
+
0X5_A_2
QMean=0.467
P1
:
(3 Cplx.)
RUN1
pKi= 7.4
112
10.5
2.1
103905313
3CS9
(35%)
+
NIL_A_5
QMean=0.444
P1
:
(4 Cplx.)
RUN2
pKi= 7.4
113
7.2
2.3
103905136
3CS9
(35%)
+
NIL_A_5
QMean=0.444
P2
:
(3 Cplx.)
RUN1
pKi= 7.4
114
9.5
2.1
103905313
3CS9
(35%)
+
NIL_A_5
QMean=0.444
P1
:
(3 Cplx.)
RUN1
pKi= 7.4
115
7.2
2.0
103904593
3EQR
(40%)
+
T74_A_3
QMean=0.429
P2
:
(4 Cplx.)
RUN0
pKi= 7.4
116
6.7
2.3
103905136
4BBE
(99%)
+
3O4_A_5
QMean=0.474
P1
:
(3 Cplx.)
RUN2
pKi= 7.4
117
7.8
1.9
103905574
3LXL
(62%)
+
IZA_A_2
QMean=0.516
P1
:
(5 Cplx.)
RUN2
pKi= 7.4
118
11.7
1.2
103905313
2HZI
(35%)
+
JIN_B_4
QMean=0.447
P2
:
(5 Cplx.)
RUN0
pKi= 7.4
119
7.2
2.4
103904310
3CS9
(35%)
+
NIL_A_5
QMean=0.444
P1
:
(3 Cplx.)
RUN1
pKi= 7.4
120
7.0
2.2
103904906
4AOJ
(34%)
+
V4Z_C_10
QMean=0.516
P1
:
(9 Cplx.)
RUN1
pKi= 7.3
121
7.3
2.2
103904906
4AOJ
(34%)
+
V4Z_C_10
QMean=0.516
P1
:
(8 Cplx.)
RUN2
pKi= 7.3
122
6.3
1.0
103904471
4E1Z
(53%)
+
0MX_A_2
QMean=0.494
P3
:
(3 Cplx.)
RUN2
pKi= 7.3
123
6.9
0.9
103904489
4E20
(53%)
+
0MY_A_2
QMean=0.475
P2
:
(3 Cplx.)
RUN2
pKi= 7.3
124
8.0
2.1
103904458
3UGC
(99%)
+
046_A_2
QMean=0.554
P1
:
(5 Cplx.)
RUN1
pKi= 7.3
125
7.9
2.4
103904471
3QRJ
(35%)
+
919_B_4
QMean=0.455
P1
:
(5 Cplx.)
RUN0
pKi= 7.3
126
7.3
2.5
103904904
3UGC
(99%)
+
046_A_2
QMean=0.554
P1
:
(12 Cplx.)
RUN2
pKi= 7.3
127
6.5
0.9
103904471
4E20
(53%)
+
0MY_A_2
QMean=0.475
P1
:
(3 Cplx.)
RUN1
pKi= 7.3
128
7.5
2.1
103904489
4E20
(53%)
+
0MY_A_2
QMean=0.475
P3
:
(3 Cplx.)
RUN0
pKi= 7.3
129
10.0
1.9
103904289
3CS9
(35%)
+
NIL_A_5
QMean=0.444
P1
:
(6 Cplx.)
RUN1
pKi= 7.3
130
7.0
2.2
103904904
4AOJ
(34%)
+
V4Z_C_10
QMean=0.516
P1
:
(6 Cplx.)
RUN1
pKi= 7.3
131
11.0
1.6
103904289
3CS9
(35%)
+
NIL_A_5
QMean=0.444
P1
:
(12 Cplx.)
RUN0
pKi= 7.3
132
10.9
1.5
103904289
3CS9
(35%)
+
NIL_A_5
QMean=0.444
P1
:
(6 Cplx.)
RUN2
pKi= 7.3
133
7.3
2.2
103904906
3KF4
(35%)
+
B90_A_3
QMean=0.464
P1
:
(9 Cplx.)
RUN0
pKi= 7.3
134
8.1
1.8
103904458
3UGC
(99%)
+
046_A_2
QMean=0.554
P1
:
(5 Cplx.)
RUN2
pKi= 7.3
135
7.3
2.4
103904904
3KF4
(35%)
+
B90_A_3
QMean=0.464
P1
:
(9 Cplx.)
RUN0
pKi= 7.3
136
7.5
2.2
103904818
4GII
(53%)
+
0X6_A_2
QMean=0.485
P2
:
(4 Cplx.)
RUN1
pKi= 7.2
137
7.9
1.8
103904313
3UGC
(99%)
+
046_A_2
QMean=0.554
P1
:
(4 Cplx.)
RUN1
pKi= 7.2
138
8.5
2.4
103904313
1M52
(35%)
+
P17_A_5
QMean=0.457
P2
:
(5 Cplx.)
RUN0
pKi= 7.2
139
8.6
2.4
103904818
3QRI
(35%)
+
919_A_5
QMean=0.456
P2
:
(3 Cplx.)
RUN0
pKi= 7.2
140
6.8
1.6
103904818
4ID7
(40%)
+
1G0_A_2
QMean=0.458
P1
:
(4 Cplx.)
RUN2
pKi= 7.2
141
6.9
1.8
103904462
3CS9
(35%)
+
NIL_A_5
QMean=0.444
P1
:
(4 Cplx.)
RUN1
pKi= 7.2
142
6.0
1.5
103904403
4BBF
(99%)
+
O19_A_5
QMean=0.530
P1
:
(5 Cplx.)
RUN1
pKi= 7.2
143
6.3
1.5
103904201
4GJ2
(53%)
+
0XH_A_2
QMean=0.468
P2
:
(3 Cplx.)
RUN1
pKi= 7.2
144
7.0
1.4
103904403
4BBF
(99%)
+
O19_A_5
QMean=0.530
P1
:
(3 Cplx.)
RUN2
pKi= 7.2
145
7.2
1.2
103904403
4BBF
(99%)
+
O19_A_5
QMean=0.530
P1
:
(8 Cplx.)
RUN0
pKi= 7.2
146
8.1
2.4
103904313
3PYY
(35%)
+
STI_A_5
QMean=0.495
P1
:
(3 Cplx.)
RUN2
pKi= 7.2
147
6.9
0.8
103904487
4E20
(53%)
+
0MY_A_2
QMean=0.475
P3
:
(3 Cplx.)
RUN1
pKi= 7.1
148
9.0
2.0
103904366
3CS9
(35%)
+
NIL_D_8
QMean=0.436
P1
:
(12 Cplx.)
RUN0
pKi= 7.1
149
7.4
2.2
103905684
4GIH
(53%)
+
0X5_A_2
QMean=0.467
P3
:
(3 Cplx.)
RUN1
pKi= 7.1
150
5.3
2.1
103905639
4E1Z
(53%)
+
0MX_A_2
QMean=0.494
P1
:
(10 Cplx.)
RUN2
pKi= 7.1
151
6.6
2.3
103904649
4FYO
(36%)
+
0VF_A_2
QMean=0.472
P4
:
(3 Cplx.)
RUN0
pKi= 7.1
152
7.5
1.9
103905684
4GIH
(53%)
+
0X5_A_2
QMean=0.467
P2
:
(3 Cplx.)
RUN2
pKi= 7.1
153
7.3
2.0
103904308
3CS9
(35%)
+
NIL_A_5
QMean=0.444
P1
:
(4 Cplx.)
RUN2
pKi= 7.1
154
6.8
1.9
103904487
4E20
(53%)
+
0MY_A_2
QMean=0.475
P2
:
(3 Cplx.)
RUN0
pKi= 7.1
155
4.7
2.3
103905639
4E1Z
(53%)
+
0MX_A_2
QMean=0.494
P1
:
(10 Cplx.)
RUN1
pKi= 7.1
156
7.0
1.0
103904649
4GII
(53%)
+
0X6_A_2
QMean=0.485
P1
:
(7 Cplx.)
RUN2
pKi= 7.1
157
8.4
1.9
103904366
3CS9
(35%)
+
NIL_A_5
QMean=0.444
P1
:
(6 Cplx.)
RUN2
pKi= 7.1
158
8.6
2.0
103904308
3CS9
(35%)
+
NIL_A_5
QMean=0.444
P1
:
(5 Cplx.)
RUN1
pKi= 7.1
159
6.1
1.5
103904649
4GIH
(53%)
+
0X5_A_2
QMean=0.467
P2
:
(3 Cplx.)
RUN1
pKi= 7.1
160
8.3
1.9
103904366
3CS9
(35%)
+
NIL_A_5
QMean=0.444
P1
:
(4 Cplx.)
RUN1
pKi= 7.1
161
6.5
0.9
103904487
4E1Z
(53%)
+
0MX_A_2
QMean=0.494
P1
:
(3 Cplx.)
RUN2
pKi= 7.1
162
6.1
2.1
103905639
2HZI
(35%)
+
JIN_B_4
QMean=0.447
P2
:
(4 Cplx.)
RUN0
pKi= 7.1
163
7.8
2.4
103905616
4HVH
(61%)
+
19R_A_2
QMean=0.507
P1
:
(7 Cplx.)
RUN2
pKi= 7
164
7.6
2.4
103905245
4GIH
(53%)
+
0X5_A_2
QMean=0.467
P1
:
(3 Cplx.)
RUN0
pKi= 7
165
7.0
2.0
103904988
2Z60
(35%)
+
P3Y_A_2
QMean=0.472
P3
:
(3 Cplx.)
RUN1
pKi= 7
166
8.1
2.3
103905245
4GJ3
(53%)
+
0XP_A_2
QMean=0.479
P1
:
(5 Cplx.)
RUN2
pKi= 7
167
7.7
2.5
103905247
4GJ3
(53%)
+
0XP_A_2
QMean=0.479
P1
:
(5 Cplx.)
RUN1
pKi= 7
168
7.9
2.3
103905247
4GII
(53%)
+
0X6_A_2
QMean=0.485
P4
:
(3 Cplx.)
RUN2
pKi= 7
169
6.6
2.3
103905657
4GIH
(53%)
+
0X5_A_2
QMean=0.467
P1
:
(3 Cplx.)
RUN1
pKi= 7
170
8.0
2.4
103905616
2F4J
(35%)
+
VX6_B_2
QMean=0.467
P2
:
(4 Cplx.)
RUN0
pKi= 7
171
7.6
2.3
103905245
4GJ2
(53%)
+
0XH_A_2
QMean=0.468
P1
:
(3 Cplx.)
RUN1
pKi= 7
172
7.6
1.8
103904505
4GIH
(53%)
+
0X5_A_2
QMean=0.467
P1
:
(3 Cplx.)
RUN2
pKi= 6.9
173
6.5
1.6
103904205
4GII
(53%)
+
0X6_A_2
QMean=0.485
P1
:
(6 Cplx.)
RUN2
pKi= 6.9
174
8.4
2.1
103905214
2G2H
(35%)
+
P16_A_3
QMean=0.457
P1
:
(5 Cplx.)
RUN0
pKi= 6.9
175
6.7
2.2
103905160
4GII
(53%)
+
0X6_A_2
QMean=0.485
P2
:
(3 Cplx.)
RUN1
pKi= 6.9
176
7.5
2.1
103905607
4BBE
(99%)
+
3O4_A_5
QMean=0.474
P1
:
(6 Cplx.)
RUN1
pKi= 6.9
177
9.0
2.4
103904505
3K5V
(35%)
+
STI_B_7
QMean=0.456
P3
:
(3 Cplx.)
RUN0
pKi= 6.9
178
7.7
2.1
103904205
1FPU
(35%)
+
PRC_C_3
QMean=0.462
P1
:
(9 Cplx.)
RUN0
pKi= 6.9
179
7.4
2.2
103905214
4GIH
(53%)
+
0X5_A_2
QMean=0.467
P1
:
(3 Cplx.)
RUN2
pKi= 6.9
180
6.4
1.6
103904205
4HVH
(61%)
+
19R_A_2
QMean=0.507
P2
:
(3 Cplx.)
RUN1
pKi= 6.9
181
8.6
1.8
103905160
3EQR
(40%)
+
T74_B_5
QMean=0.466
P1
:
(4 Cplx.)
RUN0
pKi= 6.9
182
10.4
1.8
103904320
3CS9
(35%)
+
NIL_D_8
QMean=0.436
P1
:
(8 Cplx.)
RUN0
pKi= 6.8
183
9.0
1.8
103904320
3CS9
(35%)
+
NIL_A_5
QMean=0.444
P2
:
(3 Cplx.)
RUN1
pKi= 6.8
184
6.8
1.6
103904216
4HVH
(61%)
+
19R_A_2
QMean=0.507
P1
:
(4 Cplx.)
RUN1
pKi= 6.8
185
11.0
2.4
103904320
3UGC
(99%)
+
046_A_2
QMean=0.554
P2
:
(4 Cplx.)
RUN2
pKi= 6.8
186
6.5
1.3
103905212
2Z60
(35%)
+
P3Y_A_2
QMean=0.472
P1
:
(7 Cplx.)
RUN2
pKi= 6.8
187
7.9
2.2
103904483
3QRI
(35%)
+
919_A_5
QMean=0.456
P2
:
(4 Cplx.)
RUN0
pKi= 6.8
188
6.2
1.0
103904482
4E1Z
(53%)
+
0MX_A_2
QMean=0.494
P1
:
(5 Cplx.)
RUN2
pKi= 6.8
189
6.4
0.9
103904483
4E1Z
(53%)
+
0MX_A_2
QMean=0.494
P1
:
(3 Cplx.)
RUN2
pKi= 6.8
190
6.9
1.8
103904511
4GJ3
(53%)
+
0XP_A_2
QMean=0.479
P1
:
(3 Cplx.)
RUN1
pKi= 6.8
191
7.2
2.1
103904511
2Z60
(35%)
+
P3Y_A_2
QMean=0.472
P1
:
(4 Cplx.)
RUN0
pKi= 6.8
192
7.5
0.7
103904511
4E1Z
(53%)
+
0MX_A_2
QMean=0.494
P2
:
(3 Cplx.)
RUN2
pKi= 6.8
193
6.6
1.4
103905212
2Z60
(35%)
+
P3Y_A_2
QMean=0.472
P2
:
(4 Cplx.)
RUN0
pKi= 6.8
194
6.7
1.5
103904216
4HVD
(61%)
+
933_A_3
QMean=0.517
P2
:
(3 Cplx.)
RUN2
pKi= 6.8
195
6.0
1.2
103904482
4E1Z
(53%)
+
0MX_A_2
QMean=0.494
P3
:
(3 Cplx.)
RUN0
pKi= 6.8
196
9.4
2.0
103904598
4GIH
(53%)
+
0X5_A_2
QMean=0.467
P1
:
(5 Cplx.)
RUN2
pKi= 6.8
197
6.7
1.2
103904483
4E20
(53%)
+
0MY_A_2
QMean=0.475
P1
:
(5 Cplx.)
RUN1
pKi= 6.8
198
5.7
2.0
103905212
4HVG
(61%)
+
19Q_A_2
QMean=0.522
P2
:
(4 Cplx.)
RUN1
pKi= 6.8
199
6.2
1.1
103904482
4E1Z
(53%)
+
0MX_A_2
QMean=0.494
P3
:
(3 Cplx.)
RUN1
pKi= 6.8
200
8.0
2.1
103904277
3UGC
(99%)
+
046_A_2
QMean=0.554
P1
:
(4 Cplx.)
RUN1
pKi= 6.8
201
7.5
2.4
103904953
2F4J
(35%)
+
VX6_B_2
QMean=0.467
P2
:
(3 Cplx.)
RUN2
pKi= 6.8
202
7.6
2.3
103905159
4GJ2
(53%)
+
0XH_A_2
QMean=0.468
P1
:
(4 Cplx.)
RUN2
pKi= 6.7
203
6.7
2.4
103905112
3CS9
(35%)
+
NIL_A_5
QMean=0.444
P2
:
(6 Cplx.)
RUN2
pKi= 6.7
204
7.4
2.0
103904193
4BBE
(99%)
+
3O4_A_5
QMean=0.474
P1
:
(6 Cplx.)
RUN1
pKi= 6.7
205
8.5
1.8
103905159
3EQR
(40%)
+
T74_B_5
QMean=0.466
P2
:
(3 Cplx.)
RUN0
pKi= 6.7
206
7.6
2.5
103904193
3CS9
(35%)
+
NIL_A_5
QMean=0.444
P1
:
(8 Cplx.)
RUN0
pKi= 6.7
207
6.5
2.2
103904189
4GIH
(53%)
+
0X5_A_2
QMean=0.467
P1
:
(4 Cplx.)
RUN2
pKi= 6.7
208
5.4
1.7
103905112
4BBF
(99%)
+
O19_A_5
QMean=0.530
P2
:
(4 Cplx.)
RUN1
pKi= 6.7
209
7.0
1.6
103904193
4HVD
(61%)
+
933_A_3
QMean=0.517
P1
:
(4 Cplx.)
RUN2
pKi= 6.7
210
5.6
1.2
103904614
4GJ2
(53%)
+
0XH_A_2
QMean=0.468
P1
:
(4 Cplx.)
RUN2
pKi= 6.7
211
3.9
2.2
103905608
4BBE
(99%)
+
3O4_A_5
QMean=0.474
P1
:
(4 Cplx.)
RUN1
pKi= 6.7
212
6.3
2.1
103905113
4GIH
(53%)
+
0X5_A_2
QMean=0.467
P2
:
(5 Cplx.)
RUN1
pKi= 6.7
213
7.1
2.2
103904614
4BBF
(99%)
+
O19_C_7
QMean=0.475
P1
:
(9 Cplx.)
RUN0
pKi= 6.7
214
7.3
2.0
103904189
4BBE
(99%)
+
3O4_A_5
QMean=0.474
P1
:
(6 Cplx.)
RUN1
pKi= 6.7
215
6.9
2.2
103905159
4GJ2
(53%)
+
0XH_A_2
QMean=0.468
P2
:
(3 Cplx.)
RUN1
pKi= 6.7
216
6.0
1.3
103904614
4GIH
(53%)
+
0X5_A_2
QMean=0.467
P1
:
(5 Cplx.)
RUN1
pKi= 6.7
217
8.3
1.6
103904335
3UGC
(99%)
+
046_A_2
QMean=0.554
P1
:
(3 Cplx.)
RUN1
pKi= 6.6
218
8.6
2.0
103904335
3UGC
(99%)
+
046_A_2
QMean=0.554
P1
:
(5 Cplx.)
RUN2
pKi= 6.6
219
7.9
1.5
103904742
3UGC
(99%)
+
046_A_2
QMean=0.554
P1
:
(5 Cplx.)
RUN2
pKi= 6.6
220
6.7
2.4
103905648
4BBE
(99%)
+
3O4_A_5
QMean=0.474
P1
:
(4 Cplx.)
RUN1
pKi= 6.6
221
6.1
1.5
103904203
4HVH
(61%)
+
19R_A_2
QMean=0.507
P3
:
(3 Cplx.)
RUN1
pKi= 6.6
222
7.8
2.4
103905094
3CS9
(35%)
+
NIL_A_5
QMean=0.444
P1
:
(6 Cplx.)
RUN2
pKi= 6.6
223
5.9
1.2
103904203
4GIH
(53%)
+
0X5_A_2
QMean=0.467
P2
:
(4 Cplx.)
RUN2
pKi= 6.6
224
7.7
2.2
103905094
2G2H
(35%)
+
P16_A_3
QMean=0.457
P2
:
(4 Cplx.)
RUN1
pKi= 6.6
225
7.2
1.6
103904742
3UGC
(99%)
+
046_A_2
QMean=0.554
P1
:
(6 Cplx.)
RUN1
pKi= 6.6
226
9.1
2.2
103904754
2HZI
(35%)
+
JIN_B_4
QMean=0.447
P2
:
(3 Cplx.)
RUN0
pKi= 6.5
227
8.8
1.8
103904300
3UGC
(99%)
+
046_A_2
QMean=0.554
P1
:
(5 Cplx.)
RUN1
pKi= 6.5
228
6.0
2.4
103905420
3KF4
(35%)
+
B90_B_4
QMean=0.433
P2
:
(4 Cplx.)
RUN1
pKi= 6.5
229
7.6
1.8
103904508
3QRI
(35%)
+
919_A_5
QMean=0.456
P1
:
(7 Cplx.)
RUN0
pKi= 6.5
230
6.6
1.5
103904508
4BBE
(99%)
+
3O4_A_5
QMean=0.474
P1
:
(5 Cplx.)
RUN1
pKi= 6.5
231
5.7
2.3
103905420
3LXK
(62%)
+
MI1_A_2
QMean=0.470
P2
:
(4 Cplx.)
RUN0
pKi= 6.5
232
6.9
1.7
103904220
4GJ3
(53%)
+
0XP_A_2
QMean=0.479
P1
:
(4 Cplx.)
RUN1
pKi= 6.5
233
5.3
1.6
103904508
4GJ2
(53%)
+
0XH_A_2
QMean=0.468
P2
:
(3 Cplx.)
RUN2
pKi= 6.5
234
5.5
1.5
103905420
4GIH
(53%)
+
0X5_A_2
QMean=0.467
P1
:
(5 Cplx.)
RUN2
pKi= 6.5
235
6.7
1.6
103904525
4BBE
(99%)
+
3O4_A_5
QMean=0.474
P1
:
(5 Cplx.)
RUN1
pKi= 6.5
236
8.1
2.0
103904754
1FPU
(35%)
+
PRC_C_3
QMean=0.462
P1
:
(3 Cplx.)
RUN1
pKi= 6.5
237
6.3
1.1
103904525
4E1Z
(53%)
+
0MX_A_2
QMean=0.494
P2
:
(3 Cplx.)
RUN0
pKi= 6.5
238
6.4
1.1
103904525
4E1Z
(53%)
+
0MX_A_2
QMean=0.494
P3
:
(3 Cplx.)
RUN2
pKi= 6.5
239
6.3
1.6
103904220
1FPU
(35%)
+
PRC_C_3
QMean=0.462
P3
:
(3 Cplx.)
RUN2
pKi= 6.5
240
5.9
2.2
103905407
3UGC
(99%)
+
046_A_2
QMean=0.554
P1
:
(14 Cplx.)
RUN1
pKi= 6.4
241
7.9
2.3
103905215
1FPU
(35%)
+
PRC_C_3
QMean=0.462
P1
:
(4 Cplx.)
RUN1
pKi= 6.4
242
6.3
1.1
103905404
2Z60
(35%)
+
P3Y_A_2
QMean=0.472
P2
:
(3 Cplx.)
RUN1
pKi= 6.4
243
6.8
2.2
103904276
3KFA
(35%)
+
B91_B_4
QMean=0.437
P1
:
(3 Cplx.)
RUN2
pKi= 6.4
244
8.0
1.6
103904276
3UGC
(99%)
+
046_A_2
QMean=0.554
P1
:
(4 Cplx.)
RUN1
pKi= 6.4
245
8.6
2.3
103904466
2G2H
(35%)
+
P16_A_3
QMean=0.457
P1
:
(5 Cplx.)
RUN2
pKi= 6.4
246
6.2
1.3
103905404
4GIH
(53%)
+
0X5_A_2
QMean=0.467
P2
:
(3 Cplx.)
RUN2
pKi= 6.4
247
8.1
2.1
103905557
4GIH
(53%)
+
0X5_A_2
QMean=0.467
P2
:
(4 Cplx.)
RUN1
pKi= 6.4
248
7.7
2.1
103904466
2HZI
(35%)
+
JIN_B_4
QMean=0.447
P1
:
(6 Cplx.)
RUN0
pKi= 6.4
249
7.1
1.9
103905010
2G2H
(35%)
+
P16_A_3
QMean=0.457
P1
:
(13 Cplx.)
RUN1
pKi= 6.4
250
6.8
1.6
103905011
2G2H
(35%)
+
P16_A_3
QMean=0.457
P1
:
(10 Cplx.)
RUN1
pKi= 6.4
251
7.3
2.2
103905557
4GIH
(53%)
+
0X5_A_2
QMean=0.467
P2
:
(5 Cplx.)
RUN2
pKi= 6.4
252
7.7
1.8
103905010
4GII
(53%)
+
0X6_A_2
QMean=0.485
P1
:
(6 Cplx.)
RUN2
pKi= 6.4
253
6.5
1.6
103904214
4HVG
(61%)
+
19Q_A_2
QMean=0.522
P1
:
(4 Cplx.)
RUN1
pKi= 6.4
254
8.4
2.2
103904466
2G2H
(35%)
+
P16_A_3
QMean=0.457
P1
:
(4 Cplx.)
RUN1
pKi= 6.4
255
6.2
2.0
103904789
4GII
(53%)
+
0X6_A_2
QMean=0.485
P2
:
(4 Cplx.)
RUN2
pKi= 6.4
256
5.8
2.2
103905407
3UGC
(99%)
+
046_A_2
QMean=0.554
P1
:
(13 Cplx.)
RUN2
pKi= 6.4
257
8.2
2.2
103904276
3UGC
(99%)
+
046_A_2
QMean=0.554
P1
:
(5 Cplx.)
RUN0
pKi= 6.4
258
6.7
2.4
103904662
4GII
(53%)
+
0X6_A_2
QMean=0.485
P2
:
(3 Cplx.)
RUN2
pKi= 6.4
259
7.3
1.7
103905011
2G2H
(35%)
+
P16_A_3
QMean=0.457
P1
:
(7 Cplx.)
RUN2
pKi= 6.4
260
5.6
2.1
103904789
4GII
(53%)
+
0X6_A_2
QMean=0.485
P3
:
(3 Cplx.)
RUN1
pKi= 6.4
261
7.7
2.1
103905215
4BBE
(99%)
+
3O4_A_5
QMean=0.474
P4
:
(3 Cplx.)
RUN0
pKi= 6.4
262
6.6
2.2
103904658
4BBE
(99%)
+
3O4_A_5
QMean=0.474
P1
:
(3 Cplx.)
RUN2
pKi= 6.4
263
7.2
1.9
103905404
3QRJ
(35%)
+
919_B_4
QMean=0.455
P1
:
(5 Cplx.)
RUN0
pKi= 6.4
264
6.2
1.5
103904214
4HVH
(61%)
+
19R_A_2
QMean=0.507
P4
:
(3 Cplx.)
RUN2
pKi= 6.4
265
7.1
1.9
103904640
4GJ2
(53%)
+
0XH_A_2
QMean=0.468
P2
:
(4 Cplx.)
RUN1
pKi= 6.3
266
8.6
2.4
103904285
3CS9
(35%)
+
NIL_A_5
QMean=0.444
P1
:
(5 Cplx.)
RUN1
pKi= 6.3
267
7.2
1.9
103904297
2G2H
(35%)
+
P16_A_3
QMean=0.457
P1
:
(3 Cplx.)
RUN2
pKi= 6.3
268
8.2
2.5
103905219
3PYY
(35%)
+
STI_A_5
QMean=0.495
P1
:
(4 Cplx.)
RUN1
pKi= 6.3
269
5.7
2.2
103905117
2G2H
(35%)
+
P16_A_3
QMean=0.457
P5
:
(3 Cplx.)
RUN2
pKi= 6.3
270
6.5
1.7
103904567
4GJ2
(53%)
+
0XH_A_2
QMean=0.468
P1
:
(3 Cplx.)
RUN1
pKi= 6.3
271
7.7
2.2
103904640
3UGC
(99%)
+
046_A_2
QMean=0.554
P3
:
(3 Cplx.)
RUN2
pKi= 6.3
272
6.1
2.0
103904209
4GJ2
(53%)
+
0XH_A_2
QMean=0.468
P1
:
(7 Cplx.)
RUN1
pKi= 6.3
273
7.7
2.4
103904640
4GJ2
(53%)
+
0XH_A_2
QMean=0.468
P2
:
(3 Cplx.)
RUN0
pKi= 6.3
274
6.4
1.8
103904307
4GII
(53%)
+
0X6_A_2
QMean=0.485
P1
:
(3 Cplx.)
RUN2
pKi= 6.3
275
9.1
1.6
103904307
3UGC
(99%)
+
046_A_2
QMean=0.554
P1
:
(4 Cplx.)
RUN1
pKi= 6.3
276
5.6
2.3
103905552
4GJ2
(53%)
+
0XH_A_2
QMean=0.468
P1
:
(8 Cplx.)
RUN2
pKi= 6.3
277
6.4
2.4
103904285
1FPU
(35%)
+
PRC_C_3
QMean=0.462
P2
:
(3 Cplx.)
RUN2
pKi= 6.3
278
7.3
2.3
103904567
4GIH
(53%)
+
0X5_A_2
QMean=0.467
P1
:
(4 Cplx.)
RUN2
pKi= 6.3
279
6.3
2.2
103905680
3LXL
(62%)
+
IZA_A_2
QMean=0.516
P2
:
(4 Cplx.)
RUN2
pKi= 6.3
280
9.0
1.7
103904297
3UGC
(99%)
+
046_A_2
QMean=0.554
P1
:
(5 Cplx.)
RUN1
pKi= 6.3
281
6.3
2.5
103905680
4GII
(53%)
+
0X6_A_2
QMean=0.485
P2
:
(3 Cplx.)
RUN1
pKi= 6.3
282
4.5
2.2
103905117
2F4J
(35%)
+
VX6_B_2
QMean=0.467
P3
:
(3 Cplx.)
RUN1
pKi= 6.3
283
7.6
2.4
103905575
4GIH
(53%)
+
0X5_A_2
QMean=0.467
P1
:
(6 Cplx.)
RUN1
pKi= 6.2
284
7.4
2.4
103905575
4GJ2
(53%)
+
0XH_A_2
QMean=0.468
P2
:
(4 Cplx.)
RUN0
pKi= 6.2
285
7.3
2.1
103904519
2G2H
(35%)
+
P16_A_3
QMean=0.457
P1
:
(3 Cplx.)
RUN1
pKi= 6.2
286
8.2
2.1
103905033
1FPU
(35%)
+
PRC_C_3
QMean=0.462
P1
:
(5 Cplx.)
RUN0
pKi= 6.2
287
7.4
2.2
103905259
3UGC
(99%)
+
046_A_2
QMean=0.554
P1
:
(4 Cplx.)
RUN2
pKi= 6.2
288
6.9
2.1
103905460
2HZI
(35%)
+
JIN_B_4
QMean=0.447
P1
:
(10 Cplx.)
RUN0
pKi= 6.2
289
7.5
2.1
103905575
2Z60
(35%)
+
P3Y_A_2
QMean=0.472
P3
:
(4 Cplx.)
RUN2
pKi= 6.2
290
7.1
2.2
103905259
3UGC
(99%)
+
046_A_2
QMean=0.554
P1
:
(3 Cplx.)
RUN1
pKi= 6.2
291
6.5
1.3
103904215
2Z60
(35%)
+
P3Y_A_2
QMean=0.472
P1
:
(13 Cplx.)
RUN1
pKi= 6.2
292
8.5
1.5
103905033
3UGC
(99%)
+
046_A_2
QMean=0.554
P1
:
(4 Cplx.)
RUN1
pKi= 6.2
293
6.5
2.2
103904215
1FPU
(35%)
+
PRC_C_3
QMean=0.462
P1
:
(10 Cplx.)
RUN2
pKi= 6.2
294
6.5
1.4
103904590
4BBE
(99%)
+
3O4_A_5
QMean=0.474
P1
:
(4 Cplx.)
RUN2
pKi= 6.2
295
6.8
1.8
103904815
2G2H
(35%)
+
P16_A_3
QMean=0.457
P1
:
(6 Cplx.)
RUN2
pKi= 6.2
296
6.5
2.0
103904519
4E1Z
(53%)
+
0MX_A_2
QMean=0.494
P2
:
(3 Cplx.)
RUN2
pKi= 6.2
297
6.0
2.5
103904292
4GIH
(53%)
+
0X5_A_2
QMean=0.467
P1
:
(4 Cplx.)
RUN2
pKi= 6.2
298
7.2
2.0
103904512
2G2H
(35%)
+
P16_A_3
QMean=0.457
P1
:
(3 Cplx.)
RUN2
pKi= 6.2
299
6.0
2.5
103904806
4BBF
(99%)
+
O19_A_5
QMean=0.530
P1
:
(7 Cplx.)
RUN1
pKi= 6.2
300
6.7
2.3
103904370
3CS9
(35%)
+
NIL_A_5
QMean=0.444
P2
:
(3 Cplx.)
RUN2
pKi= 6.2
301
6.4
2.1
103904741
4GJ3
(53%)
+
0XP_A_2
QMean=0.479
P1
:
(4 Cplx.)
RUN1
pKi= 6.2
302
6.7
2.1
103905182
2G2H
(35%)
+
P16_A_3
QMean=0.457
P1
:
(7 Cplx.)
RUN1
pKi= 6.2
303
6.2
1.9
103905460
4BBE
(99%)
+
3O4_A_5
QMean=0.474
P1
:
(6 Cplx.)
RUN1
pKi= 6.2
304
6.4
2.1
103904370
4BBE
(99%)
+
3O4_A_5
QMean=0.474
P2
:
(3 Cplx.)
RUN0
pKi= 6.2
305
6.3
2.4
103904806
4GIH
(53%)
+
0X5_A_2
QMean=0.467
P1
:
(5 Cplx.)
RUN2
pKi= 6.2
306
6.1
1.4
103904590
4GIH
(53%)
+
0X5_A_2
QMean=0.467
P1
:
(3 Cplx.)
RUN1
pKi= 6.2
307
6.9
1.3
103905033
4E20
(53%)
+
0MY_A_2
QMean=0.475
P1
:
(3 Cplx.)
RUN2
pKi= 6.2
308
7.5
1.6
103904590
4BBF
(99%)
+
O19_C_7
QMean=0.475
P1
:
(5 Cplx.)
RUN0
pKi= 6.2
309
8.9
2.1
103904292
3CS9
(35%)
+
NIL_A_5
QMean=0.444
P1
:
(4 Cplx.)
RUN1
pKi= 6.2
310
7.5
2.5
103905182
2HYY
(35%)
+
STI_D_8
QMean=0.460
P1
:
(6 Cplx.)
RUN0
pKi= 6.2
311
6.6
1.7
103905182
4FYO
(36%)
+
0VF_A_2
QMean=0.472
P1
:
(5 Cplx.)
RUN2
pKi= 6.2
312
8.3
2.2
103904741
3CS9
(35%)
+
NIL_A_5
QMean=0.444
P1
:
(5 Cplx.)
RUN2
pKi= 6.2
313
6.6
1.8
103905460
4BBE
(99%)
+
3O4_A_5
QMean=0.474
P1
:
(7 Cplx.)
RUN2
pKi= 6.2
314
5.9
2.0
103905107
4GII
(53%)
+
0X6_A_2
QMean=0.485
P1
:
(4 Cplx.)
RUN2
pKi= 6.1
315
6.8
2.2
103905095
3KF4
(35%)
+
B90_B_4
QMean=0.433
P1
:
(7 Cplx.)
RUN1
pKi= 6.1
316
6.8
1.9
103904526
3KFA
(35%)
+
B91_B_4
QMean=0.437
P2
:
(3 Cplx.)
RUN1
pKi= 6.1
317
7.6
2.5
103905233
4BBF
(99%)
+
O19_C_7
QMean=0.475
P1
:
(4 Cplx.)
RUN0
pKi= 6.1
318
7.4
1.6
103904523
4BBF
(99%)
+
O19_A_5
QMean=0.530
P1
:
(3 Cplx.)
RUN2
pKi= 6.1
319
7.3
2.0
103905233
4BBE
(99%)
+
3O4_A_5
QMean=0.474
P1
:
(5 Cplx.)
RUN2
pKi= 6.1
320
10.2
1.9
103904302
3CS9
(35%)
+
NIL_A_5
QMean=0.444
P1
:
(4 Cplx.)
RUN2
pKi= 6.1
321
6.7
1.6
103905233
4GII
(53%)
+
0X6_A_2
QMean=0.485
P1
:
(4 Cplx.)
RUN1
pKi= 6.1
322
7.1
2.1
103904526
3UGC
(99%)
+
046_A_2
QMean=0.554
P3
:
(3 Cplx.)
RUN0
pKi= 6.1
323
5.4
0.7
103905449
4GJ2
(53%)
+
0XH_A_2
QMean=0.468
P1
:
(4 Cplx.)
RUN2
pKi= 6.1
324
6.3
1.6
103905449
4GJ2
(53%)
+
0XH_A_2
QMean=0.468
P2
:
(4 Cplx.)
RUN1
pKi= 6.1
325
7.8
2.0
103905246
4GIH
(53%)
+
0X5_A_2
QMean=0.467
P1
:
(3 Cplx.)
RUN1
pKi= 6.1
326
6.8
1.6
103904190
4HVH
(61%)
+
19R_A_2
QMean=0.507
P1
:
(4 Cplx.)
RUN1
pKi= 6.1
327
5.6
2.4
103905605
4GII
(53%)
+
0X6_A_2
QMean=0.485
P1
:
(8 Cplx.)
RUN1
pKi= 6.1
328
9.2
1.7
103904302
3UGC
(99%)
+
046_A_2
QMean=0.554
P1
:
(4 Cplx.)
RUN1
pKi= 6.1
329
5.2
1.9
103905107
4GJ3
(53%)
+
0XP_A_2
QMean=0.479
P1
:
(4 Cplx.)
RUN1
pKi= 6.1
330
8.0
2.5
103904200
3CS9
(35%)
+
NIL_A_5
QMean=0.444
P1
:
(13 Cplx.)
RUN0
pKi= 6.1
331
6.7
2.2
103905095
3KF4
(35%)
+
B90_B_4
QMean=0.433
P1
:
(7 Cplx.)
RUN2
pKi= 6.1
332
6.8
2.2
103904862
3KF4
(35%)
+
B90_B_4
QMean=0.433
P1
:
(5 Cplx.)
RUN2
pKi= 6.1
333
6.8
1.6
103904200
4HVH
(61%)
+
19R_A_2
QMean=0.507
P1
:
(5 Cplx.)
RUN1
pKi= 6.1
334
6.0
1.7
103905449
4BBF
(99%)
+
O19_C_7
QMean=0.475
P1
:
(6 Cplx.)
RUN0
pKi= 6.1
335
5.6
2.1
103905226
4GJ3
(53%)
+
0XP_A_2
QMean=0.479
P3
:
(3 Cplx.)
RUN1
pKi= 6.1
336
7.0
1.6
103904202
4GJ2
(53%)
+
0XH_A_2
QMean=0.468
P1
:
(8 Cplx.)
RUN2
pKi= 6.1
337
8.1
2.4
103904190
3CS9
(35%)
+
NIL_A_5
QMean=0.444
P1
:
(13 Cplx.)
RUN0
pKi= 6.1
338
7.2
2.0
103905428
4GIH
(53%)
+
0X5_A_2
QMean=0.467
P1
:
(4 Cplx.)
RUN1
pKi= 6.1
339
6.3
1.9
103904526
3UGC
(99%)
+
046_A_2
QMean=0.554
P2
:
(3 Cplx.)
RUN2
pKi= 6.1
340
6.3
2.3
103905226
4GII
(53%)
+
0X6_A_2
QMean=0.485
P1
:
(5 Cplx.)
RUN2
pKi= 6.1
341
10.8
2.3
103904302
3CS9
(35%)
+
NIL_B_6
QMean=0.438
P1
:
(11 Cplx.)
RUN0
pKi= 6.1
342
7.7
1.9
103905246
4GII
(53%)
+
0X6_A_2
QMean=0.485
P2
:
(3 Cplx.)
RUN2
pKi= 6.1
343
6.4
2.0
103904202
4BBF
(99%)
+
O19_A_5
QMean=0.530
P3
:
(3 Cplx.)
RUN0
pKi= 6.1
344
6.4
2.1
103904862
4E20
(53%)
+
0MY_A_2
QMean=0.475
P3
:
(3 Cplx.)
RUN1
pKi= 6.1
345
9.1
2.4
103904523
1IEP
(35%)
+
STI_B_10
QMean=0.425
P1
:
(3 Cplx.)
RUN0
pKi= 6.1
346
7.4
2.2
103905428
4GII
(53%)
+
0X6_A_2
QMean=0.485
P1
:
(3 Cplx.)
RUN2
pKi= 6.1
347
6.8
1.8
103904200
4HVG
(61%)
+
19Q_A_2
QMean=0.522
P3
:
(3 Cplx.)
RUN2
pKi= 6.1
348
6.8
1.4
103904190
4HVH
(61%)
+
19R_A_2
QMean=0.507
P4
:
(3 Cplx.)
RUN2
pKi= 6.1
349
8.1
1.9
103904202
1FPU
(35%)
+
PRC_C_3
QMean=0.462
P2
:
(3 Cplx.)
RUN1
pKi= 6.1
350
7.0
1.6
103904639
2G2H
(35%)
+
P16_A_3
QMean=0.457
P3
:
(3 Cplx.)
RUN1
pKi= 6
351
8.2
2.4
103905478
3CS9
(35%)
+
NIL_A_5
QMean=0.444
P1
:
(4 Cplx.)
RUN2
pKi= 6
352
5.5
2.1
103905368
4GIH
(53%)
+
0X5_A_2
QMean=0.467
P1
:
(3 Cplx.)
RUN0
pKi= 6
353
7.3
1.2
103905479
2Z60
(35%)
+
P3Y_A_2
QMean=0.472
P1
:
(9 Cplx.)
RUN2
pKi= 6
354
6.3
2.3
103904684
3KF4
(35%)
+
B90_B_4
QMean=0.433
P1
:
(5 Cplx.)
RUN1
pKi= 6
355
7.5
1.9
103904639
2HZI
(35%)
+
JIN_A_3
QMean=0.444
P2
:
(4 Cplx.)
RUN0
pKi= 6
356
7.1
2.2
103905478
3UE4
(35%)
+
DB8_B_4
QMean=0.446
P2
:
(4 Cplx.)
RUN0
pKi= 6
357
5.9
1.9
103905368
4HVG
(61%)
+
19Q_A_2
QMean=0.522
P1
:
(4 Cplx.)
RUN2
pKi= 6
358
7.1
1.5
103905362
2Z60
(35%)
+
P3Y_A_2
QMean=0.472
P1
:
(6 Cplx.)
RUN0
pKi= 6
359
8.1
2.1
103904752
2G2H
(35%)
+
P16_A_3
QMean=0.457
P1
:
(3 Cplx.)
RUN0
pKi= 6
360
7.8
2.0
103904782
2Z60
(35%)
+
P3Y_A_2
QMean=0.472
P1
:
(6 Cplx.)
RUN1
pKi= 6
361
7.7
2.2
103904782
2HZI
(35%)
+
JIN_A_3
QMean=0.444
P2
:
(5 Cplx.)
RUN0
pKi= 6
362
7.1
1.7
103905172
4GII
(53%)
+
0X6_A_2
QMean=0.485
P2
:
(3 Cplx.)
RUN2
pKi= 6
363
7.5
1.7
103905479
2Z60
(35%)
+
P3Y_A_2
QMean=0.472
P1
:
(8 Cplx.)
RUN1
pKi= 6
364
7.6
2.0
103904782
2Z60
(35%)
+
P3Y_A_2
QMean=0.472
P1
:
(4 Cplx.)
RUN2
pKi= 6
365
6.8
2.1
103904639
4GJ3
(53%)
+
0XP_A_2
QMean=0.479
P1
:
(4 Cplx.)
RUN2
pKi= 6
366
7.0
1.8
103905009
2Z60
(35%)
+
P3Y_A_2
QMean=0.472
P1
:
(10 Cplx.)
RUN0
pKi= 6
367
7.1
1.8
103905009
2Z60
(35%)
+
P3Y_A_2
QMean=0.472
P1
:
(7 Cplx.)
RUN1
pKi= 6
368
7.2
2.3
103904684
2HZI
(35%)
+
JIN_B_4
QMean=0.447
P2
:
(3 Cplx.)
RUN0
pKi= 6
369
5.9
1.1
103905089
4BBF
(99%)
+
O19_A_5
QMean=0.530
P3
:
(3 Cplx.)
RUN2
pKi= 6
370
6.5
2.4
103905682
4GII
(53%)
+
0X6_A_2
QMean=0.485
P1
:
(3 Cplx.)
RUN1
pKi= 6
371
8.3
2.3
103904752
3IK3
(35%)
+
0LI_B_4
QMean=0.469
P1
:
(3 Cplx.)
RUN2
pKi= 6
372
5.5
2.1
103905089
4HVG
(61%)
+
19Q_A_2
QMean=0.522
P1
:
(4 Cplx.)
RUN1
pKi= 6
373
7.5
1.8
103905479
2Z60
(35%)
+
P3Y_A_2
QMean=0.472
P1
:
(12 Cplx.)
RUN0
pKi= 6
374
6.7
2.4
103905478
3IK3
(35%)
+
0LI_B_4
QMean=0.469
P1
:
(4 Cplx.)
RUN1
pKi= 6
375
6.4
1.9
103905362
2G2H
(35%)
+
P16_A_3
QMean=0.457
P1
:
(4 Cplx.)
RUN2
pKi= 6
376
7.4
2.4
103905683
4ID7
(40%)
+
1G0_A_2
QMean=0.458
P1
:
(3 Cplx.)
RUN1
pKi= 6
377
6.3
2.2
103905089
2Z60
(35%)
+
P3Y_A_2
QMean=0.472
P3
:
(3 Cplx.)
RUN0
pKi= 6
378
6.1
1.4
103905362
2Z60
(35%)
+
P3Y_A_2
QMean=0.472
P3
:
(3 Cplx.)
RUN1
pKi= 6
379
8.5
1.7
103904485
2F4J
(35%)
+
VX6_B_2
QMean=0.467
P2
:
(3 Cplx.)
RUN1
pKi= 6
380
8.9
2.0
103904752
1FPU
(35%)
+
PRC_C_3
QMean=0.462
P2
:
(4 Cplx.)
RUN1
pKi= 6
381
7.2
1.8
103905009
2Z60
(35%)
+
P3Y_A_2
QMean=0.472
P1
:
(6 Cplx.)
RUN2
pKi= 6
382
7.0
2.2
103905172
4GJ2
(53%)
+
0XH_A_2
QMean=0.468
P1
:
(4 Cplx.)
RUN1
pKi= 6
383
6.1
1.7
103905368
4HVG
(61%)
+
19Q_A_2
QMean=0.522
P2
:
(3 Cplx.)
RUN1
pKi= 6
384
7.2
2.1
103904275
3CS9
(35%)
+
NIL_A_5
QMean=0.444
P1
:
(4 Cplx.)
RUN1
pKi= 5.9
385
6.0
1.3
103905450
4GJ2
(53%)
+
0XH_A_2
QMean=0.468
P1
:
(5 Cplx.)
RUN2
pKi= 5.9
386
6.8
2.2
103905406
4E1Z
(53%)
+
0MX_A_2
QMean=0.494
P1
:
(4 Cplx.)
RUN1
pKi= 5.9
387
7.5
1.9
103904479
3LXL
(62%)
+
IZA_A_2
QMean=0.516
P1
:
(4 Cplx.)
RUN2
pKi= 5.9
388
7.6
1.7
103904723
4GJ3
(53%)
+
0XP_A_2
QMean=0.479
P1
:
(3 Cplx.)
RUN1
pKi= 5.9
389
5.3
1.4
103905032
4E20
(53%)
+
0MY_A_2
QMean=0.475
P1
:
(8 Cplx.)
RUN1
pKi= 5.9
390
8.4
1.5
103905025
4GII
(53%)
+
0X6_A_2
QMean=0.485
P1
:
(5 Cplx.)
RUN1
pKi= 5.9
391
7.0
2.2
103904217
4BBE
(99%)
+
3O4_A_5
QMean=0.474
P1
:
(4 Cplx.)
RUN2
pKi= 5.9
392
6.4
1.5
103904731
2G2H
(35%)
+
P16_A_3
QMean=0.457
P3
:
(3 Cplx.)
RUN2
pKi= 5.9
393
6.7
2.4
103904217
4BBF
(99%)
+
O19_A_5
QMean=0.530
P3
:
(3 Cplx.)
RUN0
pKi= 5.9
394
7.9
2.4
103904275
3UGC
(99%)
+
046_A_2
QMean=0.554
P1
:
(9 Cplx.)
RUN0
pKi= 5.9
395
5.8
2.1
103904199
4GJ3
(53%)
+
0XP_A_2
QMean=0.479
P1
:
(4 Cplx.)
RUN1
pKi= 5.9
396
5.7
1.0
103905450
4GJ3
(53%)
+
0XP_A_2
QMean=0.479
P2
:
(3 Cplx.)
RUN1
pKi= 5.9
397
6.0
2.1
103905576
4GIH
(53%)
+
0X5_A_2
QMean=0.467
P4
:
(3 Cplx.)
RUN0
pKi= 5.9
398
6.1
2.1
103905594
4BBE
(99%)
+
3O4_A_5
QMean=0.474
P2
:
(3 Cplx.)
RUN2
pKi= 5.9
399
6.8
2.2
103905406
4GJ3
(53%)
+
0XP_A_2
QMean=0.479
P1
:
(5 Cplx.)
RUN2
pKi= 5.9
400
7.7
2.2
103904468
2G2H
(35%)
+
P16_B_4
QMean=0.466
P2
:
(3 Cplx.)
RUN0
pKi= 5.9
401
7.3
1.7
103905543
4BBF
(99%)
+
O19_D_8
QMean=0.527
P3
:
(3 Cplx.)
RUN0
pKi= 5.9
402
8.6
2.1
103905025
4HVH
(61%)
+
19R_A_2
QMean=0.507
P1
:
(7 Cplx.)
RUN2
pKi= 5.9
403
5.9
1.9
103904864
4GII
(53%)
+
0X6_A_2
QMean=0.485
P1
:
(4 Cplx.)
RUN1
pKi= 5.9
404
7.4
1.4
103904923
4GJ3
(53%)
+
0XP_A_2
QMean=0.479
P2
:
(3 Cplx.)
RUN1
pKi= 5.9
405
7.1
1.4
103904468
4GJ2
(53%)
+
0XH_A_2
QMean=0.468
P1
:
(4 Cplx.)
RUN1
pKi= 5.9
406
7.6
1.7
103904722
4GJ3
(53%)
+
0XP_A_2
QMean=0.479
P1
:
(4 Cplx.)
RUN1
pKi= 5.9
407
6.4
2.3
103904864
4BBF
(99%)
+
O19_A_5
QMean=0.530
P1
:
(6 Cplx.)
RUN2
pKi= 5.9
408
6.8
1.9
103905543
4GII
(53%)
+
0X6_A_2
QMean=0.485
P3
:
(3 Cplx.)
RUN2
pKi= 5.9
409
8.8
2.1
103904479
2HZI
(35%)
+
JIN_B_4
QMean=0.447
P1
:
(4 Cplx.)
RUN0
pKi= 5.9
410
6.5
1.7
103904275
4GJ3
(53%)
+
0XP_A_2
QMean=0.479
P2
:
(4 Cplx.)
RUN2
pKi= 5.9
411
5.7
1.3
103905576
4GJ2
(53%)
+
0XH_A_2
QMean=0.468
P2
:
(5 Cplx.)
RUN1
pKi= 5.9
412
7.3
1.8
103904731
3EQR
(40%)
+
T74_B_5
QMean=0.466
P2
:
(6 Cplx.)
RUN0
pKi= 5.9
413
7.7
2.4
103904217
4GJ3
(53%)
+
0XP_A_2
QMean=0.479
P1
:
(6 Cplx.)
RUN1
pKi= 5.9
414
7.0
1.9
103905429
4GJ3
(53%)
+
0XP_A_2
QMean=0.479
P1
:
(3 Cplx.)
RUN1
pKi= 5.9
415
7.1
2.0
103904199
4GJ3
(53%)
+
0XP_A_2
QMean=0.479
P1
:
(6 Cplx.)
RUN2
pKi= 5.9
416
7.0
2.4
103905598
2G2H
(35%)
+
P16_A_3
QMean=0.457
P1
:
(5 Cplx.)
RUN1
pKi= 5.9
417
7.4
1.9
103904468
4GII
(53%)
+
0X6_A_2
QMean=0.485
P1
:
(5 Cplx.)
RUN2
pKi= 5.9
418
6.9
1.6
103905543
4GIH
(53%)
+
0X5_A_2
QMean=0.467
P1
:
(3 Cplx.)
RUN1
pKi= 5.9
419
7.6
1.8
103904479
4GIH
(53%)
+
0X5_A_2
QMean=0.467
P2
:
(3 Cplx.)
RUN1
pKi= 5.9
420
6.0
1.2
103904736
4GII
(53%)
+
0X6_A_2
QMean=0.485
P1
:
(3 Cplx.)
RUN1
pKi= 5.9
421
7.4
2.5
103905406
4BBF
(99%)
+
O19_C_7
QMean=0.475
P2
:
(3 Cplx.)
RUN0
pKi= 5.9
422
6.2
1.5
103904736
4BBE
(99%)
+
3O4_A_5
QMean=0.474
P1
:
(5 Cplx.)
RUN2
pKi= 5.9
423
6.6
1.9
103904731
4AOJ
(34%)
+
V4Z_C_10
QMean=0.516
P3
:
(3 Cplx.)
RUN1
pKi= 5.9
424
5.1
1.6
103905032
4E20
(53%)
+
0MY_A_2
QMean=0.475
P1
:
(6 Cplx.)
RUN2
pKi= 5.9
425
7.2
2.4
103904863
3CS9
(35%)
+
NIL_A_5
QMean=0.444
P1
:
(4 Cplx.)
RUN1
pKi= 5.9
426
7.6
1.8
103904336
3CS9
(35%)
+
NIL_A_5
QMean=0.444
P2
:
(3 Cplx.)
RUN1
pKi= 5.8
427
8.9
1.6
103904358
3UGC
(99%)
+
046_A_2
QMean=0.554
P1
:
(5 Cplx.)
RUN1
pKi= 5.8
428
8.9
1.7
103904272
3CS9
(35%)
+
NIL_A_5
QMean=0.444
P1
:
(5 Cplx.)
RUN1
pKi= 5.8
429
8.8
1.5
103904274
3CS9
(35%)
+
NIL_A_5
QMean=0.444
P1
:
(4 Cplx.)
RUN1
pKi= 5.8
430
7.4
1.9
103904274
4BBE
(99%)
+
3O4_A_5
QMean=0.474
P1
:
(4 Cplx.)
RUN2
pKi= 5.8
431
7.8
1.7
103904358
4E20
(53%)
+
0MY_A_2
QMean=0.475
P2
:
(3 Cplx.)
RUN0
pKi= 5.8
432
8.5
2.0
103904826
4HVD
(61%)
+
933_A_3
QMean=0.517
P2
:
(3 Cplx.)
RUN2
pKi= 5.8
433
8.0
1.6
103904271
4GJ3
(53%)
+
0XP_A_2
QMean=0.479
P2
:
(3 Cplx.)
RUN1
pKi= 5.8
434
8.1
1.8
103904325
4GII
(53%)
+
0X6_A_2
QMean=0.485
P1
:
(3 Cplx.)
RUN2
pKi= 5.8
435
8.0
2.1
103904325
4GJ3
(53%)
+
0XP_A_2
QMean=0.479
P1
:
(3 Cplx.)
RUN1
pKi= 5.8
436
9.2
1.5
103904358
3UGC
(99%)
+
046_A_2
QMean=0.554
P1
:
(4 Cplx.)
RUN2
pKi= 5.8
437
7.7
2.5
103904272
2HZI
(35%)
+
JIN_B_4
QMean=0.447
P2
:
(4 Cplx.)
RUN0
pKi= 5.8
438
6.8
2.2
103904336
4GII
(53%)
+
0X6_A_2
QMean=0.485
P1
:
(5 Cplx.)
RUN2
pKi= 5.8
439
9.6
2.2
103904325
2HYY
(35%)
+
STI_C_7
QMean=0.438
P1
:
(4 Cplx.)
RUN0
pKi= 5.8
440
6.9
2.4
103904925
2G2H
(35%)
+
P16_A_3
QMean=0.457
P1
:
(9 Cplx.)
RUN1
pKi= 5.7
441
6.3
2.2
103905620
3KF4
(35%)
+
B90_B_4
QMean=0.433
P3
:
(3 Cplx.)
RUN2
pKi= 5.7
442
7.0
2.2
103905604
2G2H
(35%)
+
P16_A_3
QMean=0.457
P2
:
(5 Cplx.)
RUN1
pKi= 5.7
443
6.9
2.0
103904925
2G2H
(35%)
+
P16_A_3
QMean=0.457
P2
:
(4 Cplx.)
RUN2
pKi= 5.7
444
6.2
2.3
103905620
3EQR
(40%)
+
T74_B_5
QMean=0.466
P2
:
(3 Cplx.)
RUN0
pKi= 5.7
445
6.7
2.5
103905604
2G2H
(35%)
+
P16_A_3
QMean=0.457
P2
:
(3 Cplx.)
RUN2
pKi= 5.7
446
5.7
1.8
103904821
3LXL
(62%)
+
IZA_A_2
QMean=0.516
P2
:
(3 Cplx.)
RUN2
pKi= 5.6
447
5.8
2.5
103904441
2G2H
(35%)
+
P16_A_3
QMean=0.457
P2
:
(5 Cplx.)
RUN2
pKi= 5.6
448
6.8
2.1
103905093
4GII
(53%)
+
0X6_A_2
QMean=0.485
P2
:
(3 Cplx.)
RUN2
pKi= 5.6
449
8.3
1.6
103905213
4BBF
(99%)
+
O19_D_8
QMean=0.527
P2
:
(4 Cplx.)
RUN0
pKi= 5.6
450
6.4
2.0
103905275
2QOH
(35%)
+
P3Y_A_3
QMean=0.432
P2
:
(3 Cplx.)
RUN0
pKi= 5.6
451
6.2
2.5
103905093
4GII
(53%)
+
0X6_A_2
QMean=0.485
P1
:
(4 Cplx.)
RUN1
pKi= 5.6
452
6.4
2.5
103904880
4GII
(53%)
+
0X6_A_2
QMean=0.485
P2
:
(3 Cplx.)
RUN2
pKi= 5.6
453
6.1
1.4
103905275
4GII
(53%)
+
0X6_A_2
QMean=0.485
P1
:
(5 Cplx.)
RUN1
pKi= 5.6
454
5.8
1.9
103904821
4BBF
(99%)
+
O19_A_5
QMean=0.530
P2
:
(3 Cplx.)
RUN1
pKi= 5.6
455
5.4
2.3
103904807
4BBF
(99%)
+
O19_A_5
QMean=0.530
P2
:
(3 Cplx.)
RUN2
pKi= 5.6
456
4.7
2.2
103905361
3LXL
(62%)
+
IZA_A_2
QMean=0.516
P2
:
(4 Cplx.)
RUN1
pKi= 5.6
457
5.5
2.2
103904441
2G2H
(35%)
+
P16_A_3
QMean=0.457
P2
:
(3 Cplx.)
RUN1
pKi= 5.6
458
8.6
2.5
103904865
2G2H
(35%)
+
P16_A_3
QMean=0.457
P1
:
(3 Cplx.)
RUN2
pKi= 5.6
459
6.6
2.4
103904880
4GII
(53%)
+
0X6_A_2
QMean=0.485
P1
:
(6 Cplx.)
RUN0
pKi= 5.6
460
7.1
2.2
103904868
4BBE
(99%)
+
3O4_A_5
QMean=0.474
P3
:
(3 Cplx.)
RUN0
pKi= 5.6
461
8.2
1.1
103905213
4BBE
(99%)
+
3O4_A_5
QMean=0.474
P4
:
(3 Cplx.)
RUN2
pKi= 5.6
462
8.0
1.9
103904219
4GJ2
(53%)
+
0XH_A_2
QMean=0.468
P1
:
(3 Cplx.)
RUN2
pKi= 5.6
463
6.3
2.2
103904868
4GII
(53%)
+
0X6_A_2
QMean=0.485
P1
:
(3 Cplx.)
RUN2
pKi= 5.6
464
7.4
1.5
103905213
2F4J
(35%)
+
VX6_B_2
QMean=0.467
P3
:
(3 Cplx.)
RUN1
pKi= 5.6
465
6.0
2.4
103904807
4GII
(53%)
+
0X6_A_2
QMean=0.485
P1
:
(4 Cplx.)
RUN1
pKi= 5.6
466
6.2
2.2
103905361
3EQP
(40%)
+
T95_B_3
QMean=0.418
P1
:
(12 Cplx.)
RUN0
pKi= 5.6
467
6.1
1.2
103905275
4GII
(53%)
+
0X6_A_2
QMean=0.485
P1
:
(6 Cplx.)
RUN2
pKi= 5.6
468
7.5
2.5
103904865
4GJ2
(53%)
+
0XH_A_2
QMean=0.468
P1
:
(3 Cplx.)
RUN1
pKi= 5.6
469
5.9
1.8
103904735
3PYY
(35%)
+
STI_A_5
QMean=0.495
P2
:
(4 Cplx.)
RUN2
pKi= 5.1
470
5.8
2.3
103904735
2HZI
(35%)
+
JIN_A_3
QMean=0.444
P1
:
(8 Cplx.)
RUN0
pKi= 5.1
471
5.9
0.7
103904735
4E1Z
(53%)
+
0MX_A_2
QMean=0.494
P1
:
(5 Cplx.)
RUN1
pKi= 5.1
472
4.4
2.0
103905528
4E20
(53%)
+
0MY_A_2
QMean=0.475
P2
:
(6 Cplx.)
RUN2
pKi= 5
473
6.7
2.4
103905283
2HYY
(35%)
+
STI_C_7
QMean=0.438
P1
:
(13 Cplx.)
RUN0
pKi= 4.9
474
5.8
1.9
103905283
2Z60
(35%)
+
P3Y_A_2
QMean=0.472
P1
:
(8 Cplx.)
RUN1
pKi= 4.9
475
5.8
2.0
103905283
2Z60
(35%)
+
P3Y_A_2
QMean=0.472
P1
:
(8 Cplx.)
RUN2
pKi= 4.9
476
4.4
2.4
103905306
4BBE
(99%)
+
3O4_A_5
QMean=0.474
P2
:
(4 Cplx.)
RUN2
pKi= 4.8
477
4.2
2.4
103905306
4BBE
(99%)
+
3O4_A_5
QMean=0.474
P2
:
(4 Cplx.)
RUN1
pKi= 4.8
478
5.6
1.9
103904198
4E20
(53%)
+
0MY_A_2
QMean=0.475
P1
:
(4 Cplx.)
RUN0
pKi= 4.7
479
5.6
1.7
103904198
4GJ2
(53%)
+
0XH_A_2
QMean=0.468
P1
:
(6 Cplx.)
RUN2
pKi= 4.7
480
5.6
1.8
103904198
4GJ2
(53%)
+
0XH_A_2
QMean=0.468
P2
:
(5 Cplx.)
RUN1
pKi= 4.7
481
5.5
2.2
103904506
4BBE
(99%)
+
3O4_A_5
QMean=0.474
P1
:
(3 Cplx.)
RUN1
pKi= 4.6
482
4.4
1.4
103904442
4E1Z
(53%)
+
0MX_A_2
QMean=0.494
P1
:
(5 Cplx.)
RUN1
pKi= 4.6
483
6.3
2.5
103905230
3PYY
(35%)
+
STI_A_5
QMean=0.495
P1
:
(4 Cplx.)
RUN2
pKi= 4.5
484
5.6
1.4
103905122
4GJ2
(53%)
+
0XH_A_2
QMean=0.468
P1
:
(5 Cplx.)
RUN2
pKi= 4.5
485
5.6
1.6
103905122
4GIH
(53%)
+
0X5_A_2
QMean=0.467
P1
:
(5 Cplx.)
RUN0
pKi= 4.5
486
6.6
2.2
103905230
1FPU
(35%)
+
PRC_C_3
QMean=0.462
P2
:
(3 Cplx.)
RUN1
pKi= 4.5
487
4.5
1.8
103905652
4E20
(53%)
+
0MY_A_2
QMean=0.475
P4
:
(3 Cplx.)
RUN2
pKi= 4.5
488
5.4
1.9
103905295
2Z60
(35%)
+
P3Y_A_2
QMean=0.472
P2
:
(3 Cplx.)
RUN1
pKi= 4.5
489
5.5
1.3
103905122
4GJ2
(53%)
+
0XH_A_2
QMean=0.468
P1
:
(5 Cplx.)
RUN1
pKi= 4.5
490
4.4
2.0
103905652
3KF4
(35%)
+
B90_B_4
QMean=0.433
P3
:
(3 Cplx.)
RUN1
pKi= 4.5
491
6.3
2.3
103905230
3IK3
(35%)
+
0LI_B_4
QMean=0.469
P3
:
(3 Cplx.)
RUN0
pKi= 4.5
492
4.2
2.4
103905297
1FPU
(35%)
+
PRC_C_3
QMean=0.462
P2
:
(4 Cplx.)
RUN1
pKi= 4.4
493
4.1
2.3
103905282
3NYX
(52%)
+
TZ1_A_2
QMean=0.450
P1
:
(16 Cplx.)
RUN0
pKi= 4.4
494
6.5
1.7
103905274
4GIH
(53%)
+
0X5_A_2
QMean=0.467
P1
:
(10 Cplx.)
RUN1
pKi= 4.3
495
5.6
2.0
103905274
4GIH
(53%)
+
0X5_A_2
QMean=0.467
P1
:
(5 Cplx.)
RUN2
pKi= 4.3
496
5.9
2.2
103905274
4BBF
(99%)
+
O19_D_8
QMean=0.527
P1
:
(11 Cplx.)
RUN0
pKi= 4.3
497
7.0
2.3
103905200
2HZI
(35%)
+
JIN_A_3
QMean=0.444
P2
:
(5 Cplx.)
RUN0
pKi= 4.2
498
5.0
1.5
103905474
4BBF
(99%)
+
O19_A_5
QMean=0.530
P4
:
(3 Cplx.)
RUN1
pKi= 4.2
499
5.4
2.0
103905200
4GII
(53%)
+
0X6_A_2
QMean=0.485
P1
:
(6 Cplx.)
RUN2
pKi= 4.2
500
5.2
1.8
103905474
3LXL
(62%)
+
IZA_A_2
QMean=0.516
P3
:
(3 Cplx.)
RUN0
pKi= 4.2
501
4.7
1.2
103905200
4E20
(53%)
+
0MY_A_2
QMean=0.475
P1
:
(6 Cplx.)
RUN1
pKi= 4.2
502
4.7
1.8
103905456
4GJ2
(53%)
+
0XH_A_2
QMean=0.468
P1
:
(6 Cplx.)
RUN1
pKi= 4.1
503
4.9
1.5
103905456
4GJ2
(53%)
+
0XH_A_2
QMean=0.468
P2
:
(4 Cplx.)
RUN2
pKi= 4.1
504
4.8
2.1
103905073
4BBE
(99%)
+
3O4_A_5
QMean=0.474
P1
:
(5 Cplx.)
RUN2
pKi= 4.1
505
5.2
2.2
103905073
4BBF
(99%)
+
O19_C_7
QMean=0.475
P3
:
(3 Cplx.)
RUN0
pKi= 4.1
506
4.9
1.9
103905073
4BBE
(99%)
+
3O4_A_5
QMean=0.474
P1
:
(6 Cplx.)
RUN1
pKi= 4.1
507
4.9
2.4
103905203
2G2H
(35%)
+
P16_B_4
QMean=0.466
P2
:
(5 Cplx.)
RUN0
pKi= 4.1
508
5.7
2.4
103904976
4FYO
(36%)
+
0VF_A_2
QMean=0.472
P2
:
(5 Cplx.)
RUN2
pKi= 4
509
4.3
2.2
103905508
4GJ3
(53%)
+
0XP_A_2
QMean=0.479
P1
:
(5 Cplx.)
RUN1
pKi= 4
510
4.4
2.5
103905511
4FYO
(36%)
+
0VF_A_2
QMean=0.472
P2
:
(4 Cplx.)
RUN2
pKi= 4
511
5.3
2.2
103905508
4GII
(53%)
+
0X6_A_2
QMean=0.485
P1
:
(6 Cplx.)
RUN0
pKi= 4
512
4.7
0.9
103904568
4E1Z
(53%)
+
0MX_A_2
QMean=0.494
P4
:
(3 Cplx.)
RUN1
pKi= 4
513
6.2
2.5
103904568
2HYY
(35%)
+
STI_C_7
QMean=0.438
P1
:
(7 Cplx.)
RUN0
pKi= 4
514
5.1
1.7
103905232
2Z60
(35%)
+
P3Y_A_2
QMean=0.472
P3
:
(3 Cplx.)
RUN2
pKi= 4
515
5.1
2.4
103905508
4GII
(53%)
+
0X6_A_2
QMean=0.485
P2
:
(3 Cplx.)
RUN2
pKi= 4
516
5.9
2.1
103905232
1FPU
(35%)
+
PRC_C_3
QMean=0.462
P3
:
(3 Cplx.)
RUN1
pKi= 4
517
5.4
1.6
103904568
2Z60
(35%)
+
P3Y_A_2
QMean=0.472
P2
:
(5 Cplx.)
RUN2
pKi= 4
518
6.8
1.4
4JIA_1K3
4BBE
(99%)
+
3O4_D_8
QMean=0.472
P1
:
(9 Cplx.)
VALID2
-= -
519
6.4
2.3
4D0X_953
4BBE
(99%)
+
3O4_A_5
QMean=0.474
P1
:
(5 Cplx.)
VALID2
-= -
520
7.3
1.5
4JIA_1K3
4BBF
(99%)
+
O19_D_8
QMean=0.527
P2
:
(4 Cplx.)
VALID0
-= -
521
5.9
2.3
4D0W_VVQ
4BBE
(99%)
+
3O4_A_5
QMean=0.474
P3
:
(3 Cplx.)
VALID0
-= -
522
6.3
2.5
4C61_LMM
2G2H
(35%)
+
P16_B_4
QMean=0.466
P2
:
(3 Cplx.)
VALID2
-= -
523
7.1
1.3
4JI9_1M3
4BBE
(99%)
+
3O4_D_8
QMean=0.472
P2
:
(3 Cplx.)
VALID0
-= -
524
6.4
2.4
4D0X_953
4BBE
(99%)
+
3O4_A_5
QMean=0.474
P3
:
(3 Cplx.)
VALID0
-= -
525
6.6
1.4
4C62_XWW
4AOJ
(34%)
+
V4Z_C_10
QMean=0.516
P2
:
(3 Cplx.)
VALID2
-= -
526
6.4
1.5
4P7E_2HB
4BBF
(99%)
+
O19_D_8
QMean=0.527
P4
:
(3 Cplx.)
VALID2
-= -
527
7.1
1.5
4JI9_1M3
4BBF
(99%)
+
O19_A_5
QMean=0.530
P1
:
(7 Cplx.)
VALID2
-= -
528
7.0
1.5
4D1S_BJG
4BBE
(99%)
+
3O4_C_7
QMean=0.478
P3
:
(3 Cplx.)
VALID2
-= -
529
6.0
2.2
4D0W_VVQ
4BBE
(99%)
+
3O4_A_5
QMean=0.474
P2
:
(6 Cplx.)
VALID2
-= -
530
7.2
1.6
4P7E_2HB
4GJ2
(53%)
+
0XH_A_2
QMean=0.468
P1
:
(4 Cplx.)
VALID0
-= -
Correlation coefficient (Pearson) between mesured and calculated pKd: R=0.40
Action on selected entries :
Select Module :
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