Screening Results : Docking based on all models from entry : CSK21_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
103904191
103904192
103904193
103904195
103904196
103904197
103904203
103904204
103904210
103904211
103904215
103904216
103904337
103904340
103904365
103904367
103904369
103904403
103904448
103904450
103904463
103904464
103904465
103904466
103904468
103904471
103904479
103904482
103904483
103904487
103904502
103904505
103904508
103904509
103904510
103904511
103904512
103904513
103904514
103904517
103904519
103904520
103904527
103904528
103904529
103904591
103904592
103904593
103904594
103904595
103904596
103904597
103904600
103904601
103904602
103904603
103904604
103904611
103904620
103904637
103904649
103904658
103904659
103904663
103904677
103904690
103904693
103904703
103904712
103904730
103904737
103904739
103904745
103904746
103904752
103904756
103904786
103904797
103904798
103904806
103904809
103904819
103904855
103904859
103904873
103904882
103904884
103904886
103904887
103904888
103904889
103904895
103904899
103904904
103904906
103904912
103904913
103904922
103904923
103904937
103904938
103904940
103904947
103904950
103904953
103904960
103904963
103904965
103904978
103904979
103904980
103904984
103904985
103904987
103904988
103905007
103905032
103905033
103905041
103905042
103905045
103905047
103905049
103905050
103905051
103905053
103905055
103905084
103905085
103905094
103905113
103905114
103905167
103905168
103905186
103905192
103905204
103905206
103905208
103905209
103905210
103905212
103905215
103905234
103905238
103905250
103905251
103905253
103905259
103905260
103905264
103905269
103905270
103905271
103905284
103905287
103905288
103905289
103905298
103905299
103905300
103905301
103905302
103905303
103905308
103905309
103905310
103905319
103905320
103905370
103905371
103905372
103905376
103905377
103905386
103905415
103905421
103905428
103905441
103905453
103905458
103905459
103905471
103905481
103905487
103905494
103905509
103905512
103905515
103905531
103905536
103905539
103905541
103905546
103905554
103905571
103905576
103905585
103905590
103905594
103905598
103905605
103905607
103905621
103905632
103905636
103905665
103905667
103905675
103905684
3WIK_LCT
3WIL_LCD
4BXA_JRJ
4GRB_0XG
4KWP_EXX
4NH1_ACP
4RLL_E91
Complex support
[Template
(Ident)
+ Anchor]
Model Quality
(QMean)
Position of Lig.
Study
Measure
1
7.8
1.7
103905007
3E3B
(85%)
+
CCK_X_2
QMean=0.697
P1
:
(3 Cplx.)
RUN1
pKi= 7
2
5.8
1.9
103905210
3OWK
(100%)
+
18E_A_2
QMean=0.790
P1
:
(11 Cplx.)
RUN0
pKi= 8.4
3
9.1
2.3
103905007
3AT4
(100%)
+
ATW_A_2
QMean=0.761
P1
:
(5 Cplx.)
RUN0
pKi= 7
4
7.4
2.4
103905487
1OM1
(77%)
+
IQA_A_2
QMean=0.805
P1
:
(11 Cplx.)
RUN0
pKi= 6.4
5
7.3
1.9
103905302
3AT3
(100%)
+
ATK_A_2
QMean=0.757
P1
:
(5 Cplx.)
RUN2
pKi= 6.4
6
6.4
2.4
103904963
3AT4
(100%)
+
ATW_A_2
QMean=0.761
P1
:
(13 Cplx.)
RUN0
pKi= 5.3
7
6.3
1.9
103905049
4FI1
(65%)
+
ATP_A_4
QMean=0.731
P1
:
(8 Cplx.)
RUN2
pKi= 5.7
8
6.8
1.7
103904611
3AT3
(100%)
+
ATK_A_2
QMean=0.757
P1
:
(12 Cplx.)
RUN0
pKi= 4.8
9
7.8
2.0
103905453
3OWJ
(100%)
+
1EL_A_2
QMean=0.764
P1
:
(3 Cplx.)
RUN1
pKi= 6.1
10
6.9
2.4
103905320
3OWJ
(100%)
+
1EL_A_2
QMean=0.764
P1
:
(11 Cplx.)
RUN0
pKi= 5.9
11
7.2
2.2
103905270
3NGA
(100%)
+
3NG_A_3
QMean=0.747
P1
:
(8 Cplx.)
RUN0
pKi= 5.8
12
7.0
2.1
103905033
4DGM
(77%)
+
AGI_A_7
QMean=0.785
P1
:
(5 Cplx.)
RUN2
pKi= 5.9
13
7.0
2.0
103904367
3U4U
(100%)
+
LNH_A_2
QMean=0.746
P1
:
(8 Cplx.)
RUN1
pKi= 6
14
8.8
2.2
103904592
3AT4
(100%)
+
ATW_A_2
QMean=0.761
P1
:
(8 Cplx.)
RUN2
pKi= 8.4
15
7.1
1.9
103905471
3AT4
(100%)
+
ATW_A_2
QMean=0.761
P1
:
(4 Cplx.)
RUN2
pKi= 5.3
16
6.8
2.2
103904950
3OWL
(100%)
+
19E_A_2
QMean=0.781
P1
:
(5 Cplx.)
RUN2
pKi= 6
17
8.9
1.3
103904468
3NGA
(100%)
+
3NG_A_3
QMean=0.747
P1
:
(6 Cplx.)
RUN2
pKi= 6.5
18
8.1
2.2
103905684
3OWJ
(100%)
+
1EL_A_2
QMean=0.764
P1
:
(3 Cplx.)
RUN0
pKi= 6
19
6.6
2.4
103905045
3AT3
(100%)
+
ATK_A_2
QMean=0.757
P1
:
(12 Cplx.)
RUN0
pKi= 5.4
20
7.0
1.1
103904786
3NGA
(100%)
+
3NG_A_3
QMean=0.747
P1
:
(8 Cplx.)
RUN0
pKi= 5.9
21
4.2
1.5
103905571
3E3B
(85%)
+
CCK_X_2
QMean=0.697
P1
:
(5 Cplx.)
RUN1
pKi= 4.9
22
8.0
1.8
103904210
3AT3
(100%)
+
ATK_A_2
QMean=0.757
P1
:
(9 Cplx.)
RUN0
pKi= 5.5
23
7.8
1.5
103905684
3AT4
(100%)
+
ATW_A_2
QMean=0.761
P1
:
(3 Cplx.)
RUN2
pKi= 6
24
5.8
2.4
103904887
3EZV
(31%)
+
EZV_A_2
QMean=0.604
P1
:
(6 Cplx.)
RUN2
pKi= 5.4
25
6.5
2.3
103904884
3E3B
(85%)
+
CCK_X_2
QMean=0.697
P1
:
(7 Cplx.)
RUN2
pKi= 6.8
26
9.4
2.2
103905250
3AT3
(100%)
+
ATK_A_2
QMean=0.757
P1
:
(9 Cplx.)
RUN0
pKi= 7.4
27
5.1
2.5
103905494
3AT3
(100%)
+
ATK_A_2
QMean=0.757
P1
:
(6 Cplx.)
RUN1
pKi= 5.2
28
7.7
2.0
103904595
1M2P
(77%)
+
HNA_A_2
QMean=0.771
P1
:
(5 Cplx.)
RUN1
pKi= 8.4
29
8.4
2.2
103904597
3U4U
(100%)
+
LNH_A_2
QMean=0.746
P1
:
(6 Cplx.)
RUN0
pKi= 5.4
30
6.1
2.1
103904873
3AT4
(100%)
+
ATW_A_2
QMean=0.761
P1
:
(3 Cplx.)
RUN1
pKi= 6.6
31
6.3
1.6
103905546
3NGA
(100%)
+
3NG_A_3
QMean=0.747
P1
:
(4 Cplx.)
RUN1
pKi= 6
32
9.0
0.9
103905250
1GIJ
(31%)
+
2PU_B_2
QMean=0.592
P1
:
(6 Cplx.)
RUN1
pKi= 7.4
33
7.2
2.0
103904819
4ANM
(77%)
+
WUL_A_2
QMean=0.774
P1
:
(4 Cplx.)
RUN2
pKi= 7.2
34
7.6
2.3
103904189
3AT3
(100%)
+
ATK_A_2
QMean=0.757
P1
:
(11 Cplx.)
RUN0
pKi= 6.8
35
8.6
2.4
103905632
3U4U
(100%)
+
LNH_A_2
QMean=0.746
P1
:
(5 Cplx.)
RUN0
pKi= 5.7
36
7.2
1.5
3WIL_LCD
4DGO
(77%)
+
0JW_A_2
QMean=0.788
P1
:
(6 Cplx.)
VALID0
-= -
37
7.8
1.9
103904192
3OWJ
(100%)
+
1EL_A_2
QMean=0.764
P1
:
(8 Cplx.)
RUN0
pKi= 5.8
38
8.1
2.1
103904978
3AT3
(100%)
+
ATK_A_2
QMean=0.757
P1
:
(9 Cplx.)
RUN0
pKi= 5.7
39
7.6
2.0
103904189
3NSZ
(100%)
+
ANP_A_7
QMean=0.752
P1
:
(6 Cplx.)
RUN2
pKi= 6.8
40
7.4
2.4
103905370
3OWK
(100%)
+
18E_A_2
QMean=0.790
P1
:
(9 Cplx.)
RUN0
pKi= 5.4
41
6.8
2.5
103904471
3OFM
(81%)
+
4B0_A_2
QMean=0.737
P1
:
(6 Cplx.)
RUN2
pKi= 5.8
42
6.9
2.1
103904806
3AT3
(100%)
+
ATK_A_2
QMean=0.757
P1
:
(5 Cplx.)
RUN0
pKi= 5.3
43
6.0
1.3
103905259
3AT4
(100%)
+
ATW_A_2
QMean=0.761
P1
:
(6 Cplx.)
RUN1
pKi= 6.4
44
7.8
2.4
103904197
3AT3
(100%)
+
ATK_A_2
QMean=0.757
P1
:
(10 Cplx.)
RUN0
pKi= 6.4
45
7.6
1.7
103905621
1GIJ
(31%)
+
2PU_B_2
QMean=0.592
P1
:
(9 Cplx.)
RUN0
pKi= 6.4
46
6.5
2.3
103905269
3NGA
(100%)
+
3NG_A_3
QMean=0.747
P1
:
(8 Cplx.)
RUN1
pKi= 5.8
47
7.2
1.2
103904737
3R0T
(100%)
+
FU9_A_2
QMean=0.753
P1
:
(6 Cplx.)
RUN1
pKi= 5.8
48
8.2
2.4
103905428
3NGA
(100%)
+
3NG_A_3
QMean=0.747
P1
:
(4 Cplx.)
RUN0
pKi= 6.8
49
5.9
1.2
103905509
3AT4
(100%)
+
ATW_A_2
QMean=0.761
P1
:
(5 Cplx.)
RUN0
pKi= 6.3
50
6.9
1.9
103904806
3AT3
(100%)
+
ATK_A_2
QMean=0.757
P1
:
(7 Cplx.)
RUN2
pKi= 5.3
51
7.0
1.9
103904337
3OWK
(100%)
+
18E_A_2
QMean=0.790
P1
:
(8 Cplx.)
RUN1
pKi= 5.8
52
6.7
2.2
103904987
3NGA
(100%)
+
3NG_A_3
QMean=0.747
P1
:
(10 Cplx.)
RUN0
pKi= 5.3
53
9.4
2.0
103904960
4ANM
(77%)
+
WUL_A_2
QMean=0.774
P1
:
(5 Cplx.)
RUN2
pKi= 7
54
6.6
1.6
103904809
3AXW
(100%)
+
TID_A_2
QMean=0.749
P1
:
(6 Cplx.)
RUN1
pKi= 6.3
55
8.4
1.5
103904712
3AT3
(100%)
+
ATK_A_2
QMean=0.757
P1
:
(5 Cplx.)
RUN1
pKi= 5.9
56
6.6
1.9
103905415
1M2P
(77%)
+
HNA_A_2
QMean=0.771
P1
:
(6 Cplx.)
RUN0
pKi= 6.8
57
5.3
1.7
103905114
3NSZ
(100%)
+
ANP_A_7
QMean=0.752
P1
:
(7 Cplx.)
RUN1
pKi= 5.4
58
8.8
2.4
103904468
3OWJ
(100%)
+
1EL_A_2
QMean=0.764
P1
:
(6 Cplx.)
RUN0
pKi= 6.5
59
6.0
1.3
103905047
3NGA
(100%)
+
3NG_A_3
QMean=0.747
P1
:
(3 Cplx.)
RUN1
pKi= 5.5
60
8.0
1.6
103904511
3NGA
(100%)
+
3NG_A_3
QMean=0.747
P1
:
(5 Cplx.)
RUN0
pKi= 8.5
61
3.9
1.9
103905234
3OWJ
(100%)
+
1EL_A_2
QMean=0.764
P1
:
(4 Cplx.)
RUN1
pKi= 5.4
62
4.2
1.4
103905571
3E3B
(85%)
+
CCK_X_2
QMean=0.697
P1
:
(5 Cplx.)
RUN2
pKi= 4.9
63
6.1
1.5
103905050
4FI1
(65%)
+
ATP_A_4
QMean=0.731
P1
:
(7 Cplx.)
RUN2
pKi= 5.9
64
8.1
2.0
103904978
3AT3
(100%)
+
ATK_A_2
QMean=0.757
P1
:
(7 Cplx.)
RUN1
pKi= 5.7
65
7.4
2.5
103905298
3OWJ
(100%)
+
1EL_A_2
QMean=0.764
P1
:
(4 Cplx.)
RUN2
pKi= 5.9
66
6.9
2.3
103905271
3R0T
(100%)
+
FU9_A_2
QMean=0.753
P1
:
(5 Cplx.)
RUN1
pKi= 5.4
67
6.2
2.4
103905605
3NGA
(100%)
+
3NG_A_3
QMean=0.747
P1
:
(4 Cplx.)
RUN1
pKi= 5.4
68
7.4
1.5
103905371
3U4U
(100%)
+
LNH_A_2
QMean=0.746
P1
:
(9 Cplx.)
RUN2
pKi= 7
69
6.9
2.4
103905459
3OFM
(81%)
+
4B0_A_2
QMean=0.737
P1
:
(6 Cplx.)
RUN1
pKi= 6.4
70
5.3
2.2
103905415
3C13
(100%)
+
EMO_A_4
QMean=0.767
P1
:
(4 Cplx.)
RUN1
pKi= 6.8
71
6.6
1.9
103904517
3NGA
(100%)
+
3NG_A_3
QMean=0.747
P1
:
(7 Cplx.)
RUN1
pKi= 5.5
72
7.4
2.3
103904216
3AT3
(100%)
+
ATK_A_2
QMean=0.757
P1
:
(9 Cplx.)
RUN1
pKi= 7
73
7.0
2.3
103905377
3AT3
(100%)
+
ATK_A_2
QMean=0.757
P1
:
(15 Cplx.)
RUN0
pKi= 5.4
74
7.6
1.0
103904756
3NGA
(100%)
+
3NG_A_3
QMean=0.747
P1
:
(4 Cplx.)
RUN1
pKi= 5.5
75
6.1
1.7
103905085
4FI1
(65%)
+
ATP_A_4
QMean=0.731
P1
:
(9 Cplx.)
RUN1
pKi= 5.4
76
8.2
1.5
103904196
3AT4
(100%)
+
ATW_A_2
QMean=0.761
P1
:
(7 Cplx.)
RUN2
pKi= 5.9
77
6.7
2.1
103904204
3OWK
(100%)
+
18E_A_2
QMean=0.790
P1
:
(3 Cplx.)
RUN2
pKi= 6.6
78
7.5
1.1
103904602
3AT3
(100%)
+
ATK_A_2
QMean=0.757
P1
:
(3 Cplx.)
RUN2
pKi= 5.7
79
8.0
2.1
103904979
3AT3
(100%)
+
ATK_A_2
QMean=0.757
P1
:
(7 Cplx.)
RUN2
pKi= 7
80
8.9
1.7
103904690
4FI1
(65%)
+
ATP_A_4
QMean=0.731
P1
:
(4 Cplx.)
RUN1
pKi= 5.8
81
4.0
1.8
103905376
3EZV
(31%)
+
EZV_A_2
QMean=0.604
P1
:
(4 Cplx.)
RUN1
pKi= 4.8
82
4.4
1.9
103905289
3NGA
(100%)
+
3NG_A_3
QMean=0.747
P1
:
(4 Cplx.)
RUN1
pKi= 6.1
83
7.6
2.3
103904985
3AT3
(100%)
+
ATK_A_2
QMean=0.757
P1
:
(8 Cplx.)
RUN1
pKi= 6.7
84
7.7
1.7
103904337
3AT3
(100%)
+
ATK_A_2
QMean=0.757
P1
:
(9 Cplx.)
RUN0
pKi= 5.8
85
6.0
2.0
103905168
3AT3
(100%)
+
ATK_A_2
QMean=0.757
P1
:
(13 Cplx.)
RUN1
pKi= 5.7
86
8.5
2.4
103904601
3NSZ
(100%)
+
ANP_A_7
QMean=0.752
P1
:
(6 Cplx.)
RUN0
pKi= 7
87
7.2
2.3
103905372
3AT3
(100%)
+
ATK_A_2
QMean=0.757
P1
:
(13 Cplx.)
RUN0
pKi= 5.6
88
7.2
2.4
103905487
1OM1
(77%)
+
IQA_A_2
QMean=0.805
P1
:
(8 Cplx.)
RUN2
pKi= 6.4
89
6.1
2.3
103905636
3U4U
(100%)
+
LNH_A_2
QMean=0.746
P1
:
(14 Cplx.)
RUN0
pKi= 5.7
90
7.4
2.1
103904340
4ANM
(77%)
+
WUL_A_2
QMean=0.774
P1
:
(7 Cplx.)
RUN1
pKi= 5.3
91
5.4
2.5
103905605
3AXW
(100%)
+
TID_A_2
QMean=0.749
P1
:
(5 Cplx.)
RUN2
pKi= 5.4
92
6.5
1.6
103904215
3AT4
(100%)
+
ATW_A_2
QMean=0.761
P1
:
(10 Cplx.)
RUN1
pKi= 6.1
93
6.2
2.1
103905300
4DGO
(77%)
+
0JW_A_2
QMean=0.788
P1
:
(6 Cplx.)
RUN2
pKi= 7.2
94
6.9
1.6
103904215
3AT4
(100%)
+
ATW_A_2
QMean=0.761
P1
:
(11 Cplx.)
RUN2
pKi= 6.1
95
7.8
1.0
103904756
3AT4
(100%)
+
ATW_A_2
QMean=0.761
P1
:
(3 Cplx.)
RUN2
pKi= 5.5
96
7.2
1.3
103904886
3AT4
(100%)
+
ATW_A_2
QMean=0.761
P1
:
(11 Cplx.)
RUN0
pKi= 6.9
97
7.0
1.5
103905607
3U4U
(100%)
+
LNH_A_2
QMean=0.746
P1
:
(6 Cplx.)
RUN1
pKi= 5.6
98
7.9
1.4
103904937
3E3B
(85%)
+
CCK_X_2
QMean=0.697
P1
:
(8 Cplx.)
RUN0
pKi= 6.5
99
9.6
1.7
103905251
1GIJ
(31%)
+
2PU_B_2
QMean=0.592
P1
:
(8 Cplx.)
RUN0
pKi= 5.3
100
7.0
1.6
103904658
3NGA
(100%)
+
3NG_A_3
QMean=0.747
P1
:
(4 Cplx.)
RUN1
pKi= 5.5
101
6.7
1.6
103905536
1GIJ
(31%)
+
2PU_B_2
QMean=0.592
P1
:
(8 Cplx.)
RUN1
pKi= 5.3
102
6.7
2.1
103905049
3NGA
(100%)
+
3NG_A_3
QMean=0.747
P1
:
(12 Cplx.)
RUN0
pKi= 5.7
103
6.7
1.8
103904611
3NSZ
(100%)
+
ANP_A_7
QMean=0.752
P1
:
(10 Cplx.)
RUN2
pKi= 4.8
104
7.4
2.5
103905539
3NGA
(100%)
+
3NG_A_3
QMean=0.747
P1
:
(6 Cplx.)
RUN2
pKi= 5.5
105
6.3
1.6
103904510
1GIJ
(31%)
+
2PU_B_2
QMean=0.592
P1
:
(3 Cplx.)
RUN2
pKi= 6.8
106
8.6
1.9
103904752
3NGA
(100%)
+
3NG_A_3
QMean=0.747
P1
:
(5 Cplx.)
RUN1
pKi= 6.4
107
7.7
2.4
103904593
3AT4
(100%)
+
ATW_A_2
QMean=0.761
P1
:
(7 Cplx.)
RUN0
pKi= 7.6
108
6.0
1.7
103905041
3NSZ
(100%)
+
ANP_A_7
QMean=0.752
P1
:
(8 Cplx.)
RUN1
pKi= 5.3
109
7.5
1.7
103905215
1DAY
(77%)
+
GNP_A_4
QMean=0.736
P1
:
(3 Cplx.)
RUN2
pKi= 5.4
110
8.0
2.3
103904193
3NSZ
(100%)
+
ANP_A_7
QMean=0.752
P1
:
(6 Cplx.)
RUN2
pKi= 6.8
111
6.7
2.4
103905047
1OM1
(77%)
+
IQA_A_2
QMean=0.805
P1
:
(5 Cplx.)
RUN2
pKi= 5.5
112
7.6
1.4
103904502
3AT3
(100%)
+
ATK_A_2
QMean=0.757
P1
:
(12 Cplx.)
RUN0
pKi= 5.4
113
6.6
1.4
103905186
3AT3
(100%)
+
ATK_A_2
QMean=0.757
P1
:
(14 Cplx.)
RUN2
pKi= 5.5
114
8.0
1.9
103904193
3NSZ
(100%)
+
ANP_A_7
QMean=0.752
P1
:
(8 Cplx.)
RUN0
pKi= 6.8
115
9.5
1.8
103905531
3NSZ
(100%)
+
ANP_A_7
QMean=0.752
P1
:
(12 Cplx.)
RUN2
pKi= 5.8
116
7.1
1.2
103904604
4ANM
(77%)
+
WUL_A_2
QMean=0.774
P1
:
(5 Cplx.)
RUN1
pKi= 8
117
5.9
1.8
103905665
3AT4
(100%)
+
ATW_A_2
QMean=0.761
P1
:
(4 Cplx.)
RUN2
pKi= 5.8
118
6.8
1.2
103905212
3R0T
(100%)
+
FU9_A_2
QMean=0.753
P1
:
(8 Cplx.)
RUN1
pKi= 5.8
119
6.6
1.9
103904649
3NSZ
(100%)
+
ANP_A_7
QMean=0.752
P1
:
(4 Cplx.)
RUN1
pKi= 5.5
120
5.5
1.9
103905192
3AXW
(100%)
+
TID_A_2
QMean=0.749
P1
:
(7 Cplx.)
RUN1
pKi= 5.7
121
7.1
1.6
103904471
3AT4
(100%)
+
ATW_A_2
QMean=0.761
P1
:
(5 Cplx.)
RUN1
pKi= 5.8
122
7.1
2.2
103905303
1GIJ
(31%)
+
2PU_B_2
QMean=0.592
P1
:
(6 Cplx.)
RUN2
pKi= 6.1
123
6.8
1.6
103904520
3NGA
(100%)
+
3NG_A_3
QMean=0.747
P1
:
(5 Cplx.)
RUN1
pKi= 5.3
124
7.2
2.0
103904529
1OM1
(77%)
+
IQA_A_2
QMean=0.805
P1
:
(3 Cplx.)
RUN1
pKi= 5.5
125
8.3
1.4
103905298
3R0T
(100%)
+
FU9_A_2
QMean=0.753
P1
:
(6 Cplx.)
RUN1
pKi= 5.9
126
6.6
1.5
103905085
3AT3
(100%)
+
ATK_A_2
QMean=0.757
P1
:
(15 Cplx.)
RUN0
pKi= 5.4
127
6.8
1.6
103904215
3AT4
(100%)
+
ATW_A_2
QMean=0.761
P1
:
(16 Cplx.)
RUN0
pKi= 6.1
128
6.6
1.8
103904191
4DGM
(77%)
+
AGI_A_7
QMean=0.785
P1
:
(6 Cplx.)
RUN0
pKi= 5.8
129
7.8
2.4
103905632
3AT4
(100%)
+
ATW_A_2
QMean=0.761
P1
:
(3 Cplx.)
RUN1
pKi= 5.7
130
6.7
2.0
103905509
1OM1
(77%)
+
IQA_A_2
QMean=0.805
P1
:
(5 Cplx.)
RUN1
pKi= 6.3
131
8.8
1.6
103904591
3E3B
(85%)
+
CCK_X_2
QMean=0.697
P1
:
(6 Cplx.)
RUN1
pKi= 6.9
132
6.2
2.2
103904963
3AT4
(100%)
+
ATW_A_2
QMean=0.761
P1
:
(8 Cplx.)
RUN1
pKi= 5.3
133
7.4
1.5
103905051
3AT3
(100%)
+
ATK_A_2
QMean=0.757
P1
:
(5 Cplx.)
RUN2
pKi= 5.4
134
6.3
1.7
103905050
4FI1
(65%)
+
ATP_A_4
QMean=0.731
P1
:
(13 Cplx.)
RUN0
pKi= 5.9
135
7.3
1.9
103904529
3U4U
(100%)
+
LNH_A_2
QMean=0.746
P1
:
(4 Cplx.)
RUN0
pKi= 5.5
136
6.4
1.6
103904938
4ANM
(77%)
+
WUL_A_2
QMean=0.774
P1
:
(9 Cplx.)
RUN1
pKi= 6.5
137
7.7
2.1
103904855
4ANM
(77%)
+
WUL_A_2
QMean=0.774
P1
:
(6 Cplx.)
RUN1
pKi= 5.6
138
6.3
1.7
103905554
3AT3
(100%)
+
ATK_A_2
QMean=0.757
P1
:
(4 Cplx.)
RUN1
pKi= 5.7
139
7.3
2.1
103904189
3AT4
(100%)
+
ATW_A_2
QMean=0.761
P1
:
(8 Cplx.)
RUN1
pKi= 6.8
140
5.7
1.6
103905415
3OFM
(81%)
+
4B0_A_2
QMean=0.737
P1
:
(5 Cplx.)
RUN2
pKi= 6.8
141
7.3
2.3
103905271
3NGA
(100%)
+
3NG_A_3
QMean=0.747
P1
:
(7 Cplx.)
RUN0
pKi= 5.4
142
8.8
1.8
103904591
3NSZ
(100%)
+
ANP_A_7
QMean=0.752
P1
:
(6 Cplx.)
RUN0
pKi= 6.9
143
6.2
2.4
103904191
1GIJ
(31%)
+
2PU_B_2
QMean=0.592
P1
:
(3 Cplx.)
RUN1
pKi= 5.8
144
7.6
1.3
103904502
3AT4
(100%)
+
ATW_A_2
QMean=0.761
P1
:
(10 Cplx.)
RUN2
pKi= 5.4
145
9.3
1.6
103904463
3NGA
(100%)
+
3NG_A_3
QMean=0.747
P1
:
(3 Cplx.)
RUN2
pKi= 5.3
146
6.4
1.4
103905186
3AT4
(100%)
+
ATW_A_2
QMean=0.761
P1
:
(8 Cplx.)
RUN1
pKi= 5.5
147
6.5
1.6
103905512
3AT4
(100%)
+
ATW_A_2
QMean=0.761
P1
:
(8 Cplx.)
RUN0
pKi= 5.7
148
5.5
2.0
103904798
4FI1
(65%)
+
ATP_A_4
QMean=0.731
P1
:
(5 Cplx.)
RUN1
pKi= 5.4
149
7.2
1.6
103904886
3OWJ
(100%)
+
1EL_A_2
QMean=0.764
P1
:
(12 Cplx.)
RUN1
pKi= 6.9
150
6.7
2.1
103905033
4ANM
(77%)
+
WUL_A_2
QMean=0.774
P1
:
(6 Cplx.)
RUN1
pKi= 5.9
151
7.4
2.2
103904600
3NSZ
(100%)
+
ANP_A_7
QMean=0.752
P1
:
(7 Cplx.)
RUN1
pKi= 7.4
152
7.5
1.6
103905204
3AT4
(100%)
+
ATW_A_2
QMean=0.761
P1
:
(3 Cplx.)
RUN1
pKi= 6
153
5.5
1.6
103905675
4DGO
(77%)
+
0JW_A_2
QMean=0.788
P1
:
(5 Cplx.)
RUN1
pKi= 6.3
154
7.5
2.2
103905539
3NGA
(100%)
+
3NG_A_3
QMean=0.747
P1
:
(7 Cplx.)
RUN0
pKi= 5.5
155
7.6
2.0
103904895
3AT4
(100%)
+
ATW_A_2
QMean=0.761
P1
:
(6 Cplx.)
RUN2
pKi= 7.3
156
7.3
1.6
103904210
3AT4
(100%)
+
ATW_A_2
QMean=0.761
P1
:
(5 Cplx.)
RUN1
pKi= 5.5
157
9.1
1.7
103904596
1GII
(31%)
+
1PU_B_2
QMean=0.631
P1
:
(5 Cplx.)
RUN2
pKi= 6.2
158
7.3
2.0
103904211
3NGA
(100%)
+
3NG_A_3
QMean=0.747
P1
:
(11 Cplx.)
RUN0
pKi= 5.7
159
7.8
2.3
103904367
3AT3
(100%)
+
ATK_A_2
QMean=0.757
P1
:
(11 Cplx.)
RUN0
pKi= 6
160
5.8
2.4
103905192
3AT3
(100%)
+
ATK_A_2
QMean=0.757
P1
:
(14 Cplx.)
RUN0
pKi= 5.7
161
7.2
1.8
103904487
3AXW
(100%)
+
TID_A_2
QMean=0.749
P1
:
(6 Cplx.)
RUN2
pKi= 5.2
162
6.2
1.5
103905041
4FI1
(65%)
+
ATP_A_4
QMean=0.731
P1
:
(9 Cplx.)
RUN0
pKi= 5.3
163
7.1
1.0
4RLL_E91
3NGA
(100%)
+
3NG_A_3
QMean=0.747
P1
:
(5 Cplx.)
VALID2
-= -
164
6.0
2.3
4NH1_ACP
3R0T
(100%)
+
FU9_A_2
QMean=0.753
P1
:
(3 Cplx.)
VALID2
-= -
165
6.4
2.1
103905319
3U4U
(100%)
+
LNH_A_2
QMean=0.746
P1
:
(6 Cplx.)
RUN2
pKi= 5.8
166
7.9
1.9
103904192
3OWJ
(100%)
+
1EL_A_2
QMean=0.764
P1
:
(4 Cplx.)
RUN2
pKi= 5.8
167
8.1
1.9
4RLL_E91
4DGM
(77%)
+
AGI_A_7
QMean=0.785
P1
:
(7 Cplx.)
VALID0
-= -
168
6.8
2.4
103904980
3AT3
(100%)
+
ATK_A_2
QMean=0.757
P1
:
(6 Cplx.)
RUN1
pKi= 6.9
169
8.6
2.4
103904690
1OM1
(77%)
+
IQA_A_2
QMean=0.805
P1
:
(3 Cplx.)
RUN2
pKi= 5.8
170
7.8
2.1
103905215
3NSZ
(100%)
+
ANP_A_7
QMean=0.752
P1
:
(4 Cplx.)
RUN0
pKi= 5.4
171
9.2
1.8
103905541
3NGA
(100%)
+
3NG_A_3
QMean=0.747
P1
:
(4 Cplx.)
RUN2
pKi= 5.3
172
6.5
2.2
103904988
3U4U
(100%)
+
LNH_A_2
QMean=0.746
P1
:
(4 Cplx.)
RUN1
pKi= 6.4
173
7.1
2.0
103904899
3AT3
(100%)
+
ATK_A_2
QMean=0.757
P1
:
(6 Cplx.)
RUN2
pKi= 7.3
174
6.5
1.8
103904987
4FI1
(65%)
+
ATP_A_4
QMean=0.731
P1
:
(7 Cplx.)
RUN2
pKi= 5.3
175
6.5
2.5
103904703
3AT3
(100%)
+
ATK_A_2
QMean=0.757
P1
:
(8 Cplx.)
RUN0
pKi= 7.2
176
7.8
2.2
103904505
1M2R
(77%)
+
MNY_B_2
QMean=0.768
P1
:
(4 Cplx.)
RUN0
pKi= 7.8
177
5.8
2.4
103905675
3AT3
(100%)
+
ATK_A_2
QMean=0.757
P1
:
(8 Cplx.)
RUN0
pKi= 6.3
178
8.0
1.4
103905264
4DGM
(77%)
+
AGI_A_7
QMean=0.785
P1
:
(5 Cplx.)
RUN2
pKi= 6.2
179
6.8
1.9
103904604
4ANM
(77%)
+
WUL_A_2
QMean=0.774
P1
:
(3 Cplx.)
RUN0
pKi= 8
180
4.6
1.9
103905289
3NGA
(100%)
+
3NG_A_3
QMean=0.747
P1
:
(5 Cplx.)
RUN2
pKi= 6.1
181
8.3
1.8
103904505
3OFM
(81%)
+
4B0_A_2
QMean=0.737
P1
:
(7 Cplx.)
RUN1
pKi= 7.8
182
6.8
1.9
103905536
1OM1
(77%)
+
IQA_A_2
QMean=0.805
P1
:
(9 Cplx.)
RUN2
pKi= 5.3
183
7.1
2.2
103904922
3AXW
(100%)
+
TID_A_2
QMean=0.749
P1
:
(4 Cplx.)
RUN1
pKi= 6
184
8.4
1.1
103904195
3AT4
(100%)
+
ATW_A_2
QMean=0.761
P1
:
(4 Cplx.)
RUN2
pKi= 6.3
185
7.4
2.0
103904483
3AT3
(100%)
+
ATK_A_2
QMean=0.757
P1
:
(10 Cplx.)
RUN0
pKi= 5.8
186
6.5
1.4
103905084
3AT3
(100%)
+
ATK_A_2
QMean=0.757
P1
:
(9 Cplx.)
RUN2
pKi= 6
187
4.5
2.3
103905289
3NGA
(100%)
+
3NG_A_3
QMean=0.747
P1
:
(8 Cplx.)
RUN0
pKi= 6.1
188
7.2
2.5
103905585
1GIJ
(31%)
+
2PU_B_2
QMean=0.592
P1
:
(6 Cplx.)
RUN2
pKi= 7.1
189
5.2
1.2
103904482
3AT3
(100%)
+
ATK_A_2
QMean=0.757
P1
:
(4 Cplx.)
RUN1
pKi= 5.8
190
6.4
1.2
103904191
3EZV
(31%)
+
EZV_A_2
QMean=0.604
P1
:
(8 Cplx.)
RUN2
pKi= 5.8
191
8.3
2.0
103905541
3AT3
(100%)
+
ATK_A_2
QMean=0.757
P1
:
(3 Cplx.)
RUN1
pKi= 5.3
192
7.9
1.4
103904210
3AT4
(100%)
+
ATW_A_2
QMean=0.761
P1
:
(7 Cplx.)
RUN2
pKi= 5.5
193
7.9
2.4
103904855
1M2P
(77%)
+
HNA_A_2
QMean=0.771
P1
:
(11 Cplx.)
RUN0
pKi= 5.6
194
6.5
1.9
103905042
3NGA
(100%)
+
3NG_A_3
QMean=0.747
P1
:
(13 Cplx.)
RUN0
pKi= 5.4
195
6.6
2.3
103904940
3AT4
(100%)
+
ATW_A_2
QMean=0.761
P1
:
(13 Cplx.)
RUN0
pKi= 6
196
8.6
1.9
103904505
3OFM
(81%)
+
4B0_A_2
QMean=0.737
P1
:
(4 Cplx.)
RUN2
pKi= 7.8
197
7.5
1.6
103904512
3NGA
(100%)
+
3NG_A_3
QMean=0.747
P1
:
(3 Cplx.)
RUN2
pKi= 5.8
198
8.2
2.0
103904595
1OM1
(77%)
+
IQA_A_2
QMean=0.805
P1
:
(10 Cplx.)
RUN0
pKi= 8.4
199
7.0
2.4
103905270
3NGA
(100%)
+
3NG_A_3
QMean=0.747
P1
:
(5 Cplx.)
RUN1
pKi= 5.8
200
6.3
1.7
103904594
3OWK
(100%)
+
18E_A_2
QMean=0.790
P1
:
(4 Cplx.)
RUN1
pKi= 7.1
201
8.0
1.9
103905632
3U4U
(100%)
+
LNH_A_2
QMean=0.746
P1
:
(6 Cplx.)
RUN2
pKi= 5.7
202
7.6
2.0
103904367
3U4U
(100%)
+
LNH_A_2
QMean=0.746
P1
:
(10 Cplx.)
RUN2
pKi= 6
203
7.1
2.4
103904512
3OFM
(81%)
+
4B0_A_2
QMean=0.737
P1
:
(7 Cplx.)
RUN1
pKi= 5.8
204
7.6
1.9
103904204
3AT3
(100%)
+
ATK_A_2
QMean=0.757
P1
:
(7 Cplx.)
RUN1
pKi= 6.6
205
7.7
2.4
103904197
3R0T
(100%)
+
FU9_A_2
QMean=0.753
P1
:
(9 Cplx.)
RUN1
pKi= 6.4
206
5.6
2.2
103905032
3E3B
(85%)
+
CCK_X_2
QMean=0.697
P1
:
(4 Cplx.)
RUN0
pKi= 5.3
207
6.9
2.0
103905260
3NSZ
(100%)
+
ANP_A_7
QMean=0.752
P1
:
(5 Cplx.)
RUN2
pKi= 6.2
208
7.1
2.3
103905271
3NGA
(100%)
+
3NG_A_3
QMean=0.747
P1
:
(8 Cplx.)
RUN2
pKi= 5.4
209
7.4
2.4
103904922
3OWK
(100%)
+
18E_A_2
QMean=0.790
P1
:
(3 Cplx.)
RUN2
pKi= 6
210
6.9
1.9
103905301
3OFM
(81%)
+
4B0_A_2
QMean=0.737
P1
:
(4 Cplx.)
RUN2
pKi= 6.3
211
7.4
2.1
103904693
4ANM
(77%)
+
WUL_A_2
QMean=0.774
P1
:
(11 Cplx.)
RUN0
pKi= 5.5
212
7.4
2.2
103904211
3OWJ
(100%)
+
1EL_A_2
QMean=0.764
P1
:
(7 Cplx.)
RUN1
pKi= 5.7
213
7.6
2.3
103904984
3AT3
(100%)
+
ATK_A_2
QMean=0.757
P1
:
(9 Cplx.)
RUN1
pKi= 6.7
214
6.4
2.3
103904659
3PWD
(77%)
+
CZ0_A_2
QMean=0.776
P1
:
(3 Cplx.)
RUN1
pKi= 5.5
215
6.0
1.8
103904889
3U4U
(100%)
+
LNH_A_2
QMean=0.746
P1
:
(5 Cplx.)
RUN2
pKi= 5.7
216
6.8
2.1
103905546
1GIJ
(31%)
+
2PU_B_2
QMean=0.592
P1
:
(15 Cplx.)
RUN0
pKi= 6
217
6.5
1.9
103904882
1GIJ
(31%)
+
2PU_B_2
QMean=0.592
P1
:
(4 Cplx.)
RUN2
pKi= 7.1
218
7.9
2.0
103904602
1OM1
(77%)
+
IQA_A_2
QMean=0.805
P1
:
(3 Cplx.)
RUN1
pKi= 5.7
219
6.0
1.4
103905041
4FI1
(65%)
+
ATP_A_4
QMean=0.731
P1
:
(7 Cplx.)
RUN2
pKi= 5.3
220
6.7
2.0
103904855
3AT4
(100%)
+
ATW_A_2
QMean=0.761
P1
:
(4 Cplx.)
RUN2
pKi= 5.6
221
8.5
2.1
103904752
3AT3
(100%)
+
ATK_A_2
QMean=0.757
P1
:
(6 Cplx.)
RUN0
pKi= 6.4
222
6.5
1.8
103905269
3AT4
(100%)
+
ATW_A_2
QMean=0.761
P1
:
(4 Cplx.)
RUN2
pKi= 5.8
223
7.1
2.0
103905288
3NGA
(100%)
+
3NG_A_3
QMean=0.747
P1
:
(6 Cplx.)
RUN0
pKi= 5.2
224
7.8
1.7
103904197
3NSZ
(100%)
+
ANP_A_7
QMean=0.752
P1
:
(6 Cplx.)
RUN2
pKi= 6.4
225
6.0
1.9
103904663
3AT4
(100%)
+
ATW_A_2
QMean=0.761
P1
:
(9 Cplx.)
RUN0
pKi= 5.4
226
6.7
2.2
103905186
1GIJ
(31%)
+
2PU_B_2
QMean=0.592
P1
:
(12 Cplx.)
RUN0
pKi= 5.5
227
6.2
2.3
103904730
3OFM
(81%)
+
4B0_A_2
QMean=0.737
P1
:
(5 Cplx.)
RUN2
pKi= 5.8
228
7.7
1.4
103904195
3AT4
(100%)
+
ATW_A_2
QMean=0.761
P1
:
(4 Cplx.)
RUN1
pKi= 6.3
229
8.0
2.3
103904464
1OM1
(77%)
+
IQA_A_2
QMean=0.805
P1
:
(5 Cplx.)
RUN1
pKi= 6.3
230
7.9
2.3
103904979
3OWJ
(100%)
+
1EL_A_2
QMean=0.764
P1
:
(7 Cplx.)
RUN0
pKi= 7
231
6.9
1.8
103905269
3AT3
(100%)
+
ATK_A_2
QMean=0.757
P1
:
(6 Cplx.)
RUN0
pKi= 5.8
232
7.8
2.4
103904984
3NGA
(100%)
+
3NG_A_3
QMean=0.747
P1
:
(11 Cplx.)
RUN2
pKi= 6.7
233
6.9
0.9
103904786
3NGA
(100%)
+
3NG_A_3
QMean=0.747
P1
:
(8 Cplx.)
RUN2
pKi= 5.9
234
6.1
1.8
103904730
4DGO
(77%)
+
0JW_A_2
QMean=0.788
P1
:
(5 Cplx.)
RUN0
pKi= 5.8
235
6.8
2.5
103905386
3OFM
(81%)
+
4B0_A_2
QMean=0.737
P1
:
(5 Cplx.)
RUN2
pKi= 5.3
236
8.2
1.7
103904596
1GIJ
(31%)
+
2PU_B_2
QMean=0.592
P1
:
(5 Cplx.)
RUN1
pKi= 6.2
237
8.2
2.4
103904597
3U4U
(100%)
+
LNH_A_2
QMean=0.746
P1
:
(7 Cplx.)
RUN2
pKi= 5.4
238
7.1
2.0
103905047
3U4U
(100%)
+
LNH_A_2
QMean=0.746
P1
:
(7 Cplx.)
RUN0
pKi= 5.5
239
7.3
1.7
103904464
3NGA
(100%)
+
3NG_A_3
QMean=0.747
P1
:
(5 Cplx.)
RUN2
pKi= 6.3
240
8.3
2.3
103905684
3AT4
(100%)
+
ATW_A_2
QMean=0.761
P1
:
(3 Cplx.)
RUN1
pKi= 6
241
7.3
2.0
103904203
3NGA
(100%)
+
3NG_A_3
QMean=0.747
P1
:
(5 Cplx.)
RUN0
pKi= 5.6
242
6.3
1.7
103905576
3NGA
(100%)
+
3NG_A_3
QMean=0.747
P1
:
(10 Cplx.)
RUN0
pKi= 6.3
243
5.6
1.5
103905675
3U4U
(100%)
+
LNH_A_2
QMean=0.746
P1
:
(5 Cplx.)
RUN2
pKi= 6.3
244
5.8
1.8
103905192
3NGA
(100%)
+
3NG_A_3
QMean=0.747
P1
:
(8 Cplx.)
RUN2
pKi= 5.7
245
6.3
1.8
103905168
3AT3
(100%)
+
ATK_A_2
QMean=0.757
P1
:
(16 Cplx.)
RUN0
pKi= 5.7
246
7.8
1.9
103904937
3NSZ
(100%)
+
ANP_A_7
QMean=0.752
P1
:
(4 Cplx.)
RUN1
pKi= 6.5
247
7.1
1.8
103904913
3AT3
(100%)
+
ATK_A_2
QMean=0.757
P1
:
(9 Cplx.)
RUN0
pKi= 7.1
248
9.7
1.6
103904603
1GIJ
(31%)
+
2PU_B_2
QMean=0.592
P1
:
(4 Cplx.)
RUN2
pKi= 5.6
249
7.0
1.3
103905621
3NGA
(100%)
+
3NG_A_3
QMean=0.747
P1
:
(8 Cplx.)
RUN1
pKi= 6.4
250
7.1
1.3
103904937
3AT4
(100%)
+
ATW_A_2
QMean=0.761
P1
:
(5 Cplx.)
RUN2
pKi= 6.5
251
8.2
1.2
103904737
3NGA
(100%)
+
3NG_A_3
QMean=0.747
P1
:
(7 Cplx.)
RUN0
pKi= 5.8
252
6.2
2.3
103904601
1OM1
(77%)
+
IQA_A_2
QMean=0.805
P1
:
(4 Cplx.)
RUN1
pKi= 7
253
5.8
2.0
103905167
3AT3
(100%)
+
ATK_A_2
QMean=0.757
P1
:
(13 Cplx.)
RUN0
pKi= 5.5
254
5.7
2.0
103904510
3NSZ
(100%)
+
ANP_A_7
QMean=0.752
P1
:
(6 Cplx.)
RUN1
pKi= 6.8
255
6.8
2.0
103904203
3OWL
(100%)
+
19E_A_2
QMean=0.781
P1
:
(5 Cplx.)
RUN2
pKi= 5.6
256
7.4
2.2
103904502
3OWJ
(100%)
+
1EL_A_2
QMean=0.764
P1
:
(12 Cplx.)
RUN1
pKi= 5.4
257
7.6
1.7
103904594
3AT3
(100%)
+
ATK_A_2
QMean=0.757
P1
:
(10 Cplx.)
RUN0
pKi= 7.1
258
7.9
1.3
103904514
3AT3
(100%)
+
ATK_A_2
QMean=0.757
P1
:
(5 Cplx.)
RUN2
pKi= 8.2
259
7.5
1.7
103904196
3NGA
(100%)
+
3NG_A_3
QMean=0.747
P1
:
(5 Cplx.)
RUN1
pKi= 5.9
260
6.2
1.5
103904693
3AT4
(100%)
+
ATW_A_2
QMean=0.761
P1
:
(3 Cplx.)
RUN2
pKi= 5.5
261
7.0
2.3
103904859
1OM1
(77%)
+
IQA_A_2
QMean=0.805
P1
:
(6 Cplx.)
RUN1
pKi= 5.8
262
6.6
1.6
4GRB_0XG
3AT3
(100%)
+
ATK_A_2
QMean=0.757
P1
:
(13 Cplx.)
VALID0
-= -
263
6.9
2.0
103904980
3NGA
(100%)
+
3NG_A_3
QMean=0.747
P1
:
(15 Cplx.)
RUN0
pKi= 6.9
264
5.7
2.0
103905167
3AT3
(100%)
+
ATK_A_2
QMean=0.757
P1
:
(10 Cplx.)
RUN1
pKi= 5.5
265
6.7
2.2
103905045
3AT3
(100%)
+
ATK_A_2
QMean=0.757
P1
:
(10 Cplx.)
RUN2
pKi= 5.4
266
8.5
1.7
103904196
3AT4
(100%)
+
ATW_A_2
QMean=0.761
P1
:
(11 Cplx.)
RUN0
pKi= 5.9
267
7.9
2.5
103905471
3AT3
(100%)
+
ATK_A_2
QMean=0.757
P1
:
(3 Cplx.)
RUN0
pKi= 5.3
268
6.8
1.5
103904468
3AT4
(100%)
+
ATW_A_2
QMean=0.761
P1
:
(3 Cplx.)
RUN1
pKi= 6.5
269
8.4
2.3
4BXA_JRJ
3NSZ
(100%)
+
ANP_A_7
QMean=0.752
P1
:
(3 Cplx.)
VALID0
-= -
270
8.9
2.3
103904592
1GIJ
(31%)
+
2PU_B_2
QMean=0.592
P1
:
(6 Cplx.)
RUN1
pKi= 8.4
271
7.4
2.3
103905370
3OWK
(100%)
+
18E_A_2
QMean=0.790
P1
:
(7 Cplx.)
RUN2
pKi= 5.4
272
9.3
1.7
103905250
3AT3
(100%)
+
ATK_A_2
QMean=0.757
P1
:
(5 Cplx.)
RUN2
pKi= 7.4
273
6.8
2.4
103904888
4FI1
(65%)
+
ATP_A_4
QMean=0.731
P1
:
(5 Cplx.)
RUN1
pKi= 7.4
274
5.4
2.2
103905210
3OFM
(81%)
+
4B0_A_2
QMean=0.737
P1
:
(8 Cplx.)
RUN1
pKi= 8.4
275
7.7
2.4
103904923
3OWK
(100%)
+
18E_A_2
QMean=0.790
P1
:
(3 Cplx.)
RUN2
pKi= 5.3
276
9.3
1.4
103904479
3NGA
(100%)
+
3NG_A_3
QMean=0.747
P1
:
(6 Cplx.)
RUN2
pKi= 5.4
277
7.3
2.2
103904479
3OFM
(81%)
+
4B0_A_2
QMean=0.737
P1
:
(3 Cplx.)
RUN1
pKi= 5.4
278
5.5
0.8
103905667
3NGA
(100%)
+
3NG_A_3
QMean=0.747
P1
:
(7 Cplx.)
RUN1
pKi= 6.3
279
7.2
1.9
103904483
1GIJ
(31%)
+
2PU_B_2
QMean=0.592
P1
:
(8 Cplx.)
RUN2
pKi= 5.8
280
6.6
1.8
4GRB_0XG
3NGA
(100%)
+
3NG_A_3
QMean=0.747
P1
:
(9 Cplx.)
VALID2
-= -
281
6.1
0.9
3WIK_LCT
3R0T
(100%)
+
FU9_A_2
QMean=0.753
P1
:
(18 Cplx.)
VALID0
-= -
282
6.5
2.5
103905055
3PWD
(77%)
+
CZ0_A_2
QMean=0.776
P1
:
(4 Cplx.)
RUN1
pKi= 6
283
7.5
2.0
103904529
3OFM
(81%)
+
4B0_A_2
QMean=0.737
P1
:
(6 Cplx.)
RUN2
pKi= 5.5
284
8.2
2.2
103904960
3NGA
(100%)
+
3NG_A_3
QMean=0.747
P1
:
(4 Cplx.)
RUN1
pKi= 7
285
8.2
2.3
103905264
3AT3
(100%)
+
ATK_A_2
QMean=0.757
P1
:
(8 Cplx.)
RUN0
pKi= 6.2
286
6.1
1.1
103904809
3R0T
(100%)
+
FU9_A_2
QMean=0.753
P1
:
(4 Cplx.)
RUN2
pKi= 6.3
287
7.6
2.1
103904464
3AT4
(100%)
+
ATW_A_2
QMean=0.761
P1
:
(4 Cplx.)
RUN0
pKi= 6.3
288
6.2
1.9
103905300
3AT3
(100%)
+
ATK_A_2
QMean=0.757
P1
:
(4 Cplx.)
RUN1
pKi= 7.2
289
9.3
1.9
103904463
3NGA
(100%)
+
3NG_A_3
QMean=0.747
P1
:
(4 Cplx.)
RUN0
pKi= 5.3
290
6.3
1.7
103905042
3NGA
(100%)
+
3NG_A_3
QMean=0.747
P1
:
(7 Cplx.)
RUN2
pKi= 5.4
291
7.1
2.5
103905372
3OWJ
(100%)
+
1EL_A_2
QMean=0.764
P1
:
(8 Cplx.)
RUN1
pKi= 5.6
292
9.5
2.4
103904960
3NSZ
(100%)
+
ANP_A_7
QMean=0.752
P1
:
(4 Cplx.)
RUN0
pKi= 7
293
8.3
1.4
103904712
3R0T
(100%)
+
FU9_A_2
QMean=0.753
P1
:
(3 Cplx.)
RUN2
pKi= 5.9
294
6.9
1.2
103905209
3NGA
(100%)
+
3NG_A_3
QMean=0.747
P1
:
(7 Cplx.)
RUN1
pKi= 7.5
295
5.8
1.1
103904528
3AT4
(100%)
+
ATW_A_2
QMean=0.761
P1
:
(7 Cplx.)
RUN1
pKi= 6.2
296
9.5
1.9
103905531
3NSZ
(100%)
+
ANP_A_7
QMean=0.752
P1
:
(10 Cplx.)
RUN0
pKi= 5.8
297
9.1
1.7
103905453
3NGA
(100%)
+
3NG_A_3
QMean=0.747
P1
:
(4 Cplx.)
RUN2
pKi= 6.1
298
6.1
1.3
3WIK_LCT
3NGA
(100%)
+
3NG_A_3
QMean=0.747
P1
:
(14 Cplx.)
VALID2
-= -
299
7.1
1.4
103905621
3EZV
(31%)
+
EZV_A_2
QMean=0.604
P1
:
(12 Cplx.)
RUN2
pKi= 6.4
300
6.9
1.3
103905212
3NGA
(100%)
+
3NG_A_3
QMean=0.747
P1
:
(8 Cplx.)
RUN0
pKi= 5.8
301
6.3
1.9
103905287
3AT3
(100%)
+
ATK_A_2
QMean=0.757
P1
:
(5 Cplx.)
RUN2
pKi= 6.3
302
4.7
2.0
103905494
3OWK
(100%)
+
18E_A_2
QMean=0.790
P1
:
(4 Cplx.)
RUN2
pKi= 5.2
303
4.8
2.1
103905284
3AT4
(100%)
+
ATW_A_2
QMean=0.761
P1
:
(6 Cplx.)
RUN0
pKi= 6.1
304
7.6
1.9
103904216
3NSZ
(100%)
+
ANP_A_7
QMean=0.752
P1
:
(4 Cplx.)
RUN0
pKi= 7
305
7.6
1.6
103904337
3U4U
(100%)
+
LNH_A_2
QMean=0.746
P1
:
(9 Cplx.)
RUN2
pKi= 5.8
306
7.5
2.5
103905094
3NSZ
(100%)
+
ANP_A_7
QMean=0.752
P1
:
(5 Cplx.)
RUN1
pKi= 5.5
307
7.6
2.0
103904369
1OM1
(77%)
+
IQA_A_2
QMean=0.805
P1
:
(6 Cplx.)
RUN2
pKi= 6.1
308
6.4
2.0
103905042
3NSZ
(100%)
+
ANP_A_7
QMean=0.752
P1
:
(9 Cplx.)
RUN1
pKi= 5.4
309
6.6
1.1
103905238
1OM1
(77%)
+
IQA_A_2
QMean=0.805
P1
:
(6 Cplx.)
RUN1
pKi= 5.9
310
7.1
2.0
103905260
3NSZ
(100%)
+
ANP_A_7
QMean=0.752
P1
:
(8 Cplx.)
RUN0
pKi= 6.2
311
8.7
1.4
103904597
3R0T
(100%)
+
FU9_A_2
QMean=0.753
P1
:
(5 Cplx.)
RUN1
pKi= 5.4
312
8.1
1.9
103904195
3OWK
(100%)
+
18E_A_2
QMean=0.790
P1
:
(7 Cplx.)
RUN0
pKi= 6.3
313
7.0
2.3
103905303
1GIJ
(31%)
+
2PU_B_2
QMean=0.592
P1
:
(9 Cplx.)
RUN1
pKi= 6.1
314
7.6
1.9
103905459
3AT3
(100%)
+
ATK_A_2
QMean=0.757
P1
:
(8 Cplx.)
RUN0
pKi= 6.4
315
6.4
1.9
103905377
3NGA
(100%)
+
3NG_A_3
QMean=0.747
P1
:
(10 Cplx.)
RUN1
pKi= 5.4
316
6.3
1.8
103905114
3AT3
(100%)
+
ATK_A_2
QMean=0.757
P1
:
(12 Cplx.)
RUN0
pKi= 5.4
317
5.4
2.4
103905494
3NGA
(100%)
+
3NG_A_3
QMean=0.747
P1
:
(6 Cplx.)
RUN0
pKi= 5.2
318
5.9
2.1
103905319
1GIJ
(31%)
+
2PU_B_2
QMean=0.592
P1
:
(5 Cplx.)
RUN1
pKi= 5.8
319
5.9
2.5
103905481
3NGA
(100%)
+
3NG_A_3
QMean=0.747
P1
:
(7 Cplx.)
RUN1
pKi= 6.2
320
6.3
1.5
103905234
3C13
(100%)
+
EMO_A_4
QMean=0.767
P1
:
(11 Cplx.)
RUN0
pKi= 5.4
321
7.1
1.9
103905441
4FI1
(65%)
+
ATP_A_4
QMean=0.731
P1
:
(8 Cplx.)
RUN0
pKi= 5.6
322
5.9
1.8
103904798
3NGA
(100%)
+
3NG_A_3
QMean=0.747
P1
:
(8 Cplx.)
RUN2
pKi= 5.4
323
8.5
2.2
103904953
3E3B
(85%)
+
CCK_X_2
QMean=0.697
P1
:
(5 Cplx.)
RUN2
pKi= 6.3
324
4.1
2.5
103905376
3EZV
(31%)
+
EZV_A_2
QMean=0.604
P1
:
(4 Cplx.)
RUN2
pKi= 4.8
325
6.9
1.7
103905055
3AT3
(100%)
+
ATK_A_2
QMean=0.757
P1
:
(8 Cplx.)
RUN0
pKi= 6
326
7.4
2.2
103904601
1OM1
(77%)
+
IQA_A_2
QMean=0.805
P1
:
(3 Cplx.)
RUN2
pKi= 7
327
7.1
2.3
103904487
3OWK
(100%)
+
18E_A_2
QMean=0.790
P1
:
(9 Cplx.)
RUN1
pKi= 5.2
328
5.0
2.0
103905284
3AT4
(100%)
+
ATW_A_2
QMean=0.761
P1
:
(6 Cplx.)
RUN1
pKi= 6.1
329
4.9
1.4
103905667
3AT4
(100%)
+
ATW_A_2
QMean=0.761
P1
:
(4 Cplx.)
RUN2
pKi= 6.3
330
8.4
1.5
103904752
3NGA
(100%)
+
3NG_A_3
QMean=0.747
P1
:
(7 Cplx.)
RUN2
pKi= 6.4
331
6.9
2.2
103905386
4FI1
(65%)
+
ATP_A_4
QMean=0.731
P1
:
(4 Cplx.)
RUN1
pKi= 5.3
332
6.5
1.5
103905084
3AT3
(100%)
+
ATK_A_2
QMean=0.757
P1
:
(13 Cplx.)
RUN0
pKi= 6
333
8.2
2.0
103904595
1M2P
(77%)
+
HNA_A_2
QMean=0.771
P1
:
(3 Cplx.)
RUN2
pKi= 8.4
334
7.6
2.3
103904604
3AT4
(100%)
+
ATW_A_2
QMean=0.761
P1
:
(4 Cplx.)
RUN2
pKi= 8
335
6.7
1.9
103904912
3E3B
(85%)
+
CCK_X_2
QMean=0.697
P1
:
(4 Cplx.)
RUN1
pKi= 7.8
336
7.0
2.3
4NH1_ACP
4ANM
(77%)
+
WUL_A_2
QMean=0.774
P1
:
(4 Cplx.)
VALID0
-= -
337
6.2
1.9
103905168
3AT3
(100%)
+
ATK_A_2
QMean=0.757
P1
:
(14 Cplx.)
RUN2
pKi= 5.7
338
7.2
1.6
103905264
1GIJ
(31%)
+
2PU_B_2
QMean=0.592
P1
:
(5 Cplx.)
RUN1
pKi= 6.2
339
7.9
1.8
103904737
3AT3
(100%)
+
ATK_A_2
QMean=0.757
P1
:
(7 Cplx.)
RUN2
pKi= 5.8
340
4.4
2.1
103905571
3R0T
(100%)
+
FU9_A_2
QMean=0.753
P1
:
(7 Cplx.)
RUN0
pKi= 4.9
341
6.3
1.7
103905085
4FI1
(65%)
+
ATP_A_4
QMean=0.731
P1
:
(13 Cplx.)
RUN2
pKi= 5.4
342
7.6
2.3
103904204
3AT3
(100%)
+
ATK_A_2
QMean=0.757
P1
:
(7 Cplx.)
RUN0
pKi= 6.6
343
7.0
2.1
103905594
3MB7
(100%)
+
14I_A_2
QMean=0.761
P1
:
(7 Cplx.)
RUN0
pKi= 6.6
344
6.1
1.8
103904913
3AT3
(100%)
+
ATK_A_2
QMean=0.757
P1
:
(6 Cplx.)
RUN1
pKi= 7.1
345
5.7
1.1
103904528
3AT4
(100%)
+
ATW_A_2
QMean=0.761
P1
:
(6 Cplx.)
RUN2
pKi= 6.2
346
4.8
2.0
103905284
3AT4
(100%)
+
ATW_A_2
QMean=0.761
P1
:
(7 Cplx.)
RUN2
pKi= 6.1
347
8.9
2.1
103904513
3OWJ
(100%)
+
1EL_A_2
QMean=0.764
P1
:
(5 Cplx.)
RUN0
pKi= 6.1
348
7.0
2.0
103904517
3NGA
(100%)
+
3NG_A_3
QMean=0.747
P1
:
(13 Cplx.)
RUN0
pKi= 5.5
349
7.8
1.5
103904886
3AT4
(100%)
+
ATW_A_2
QMean=0.761
P1
:
(9 Cplx.)
RUN2
pKi= 6.9
350
5.6
2.2
103905210
3OFM
(81%)
+
4B0_A_2
QMean=0.737
P1
:
(6 Cplx.)
RUN2
pKi= 8.4
351
7.5
1.4
103904591
3OFM
(81%)
+
4B0_A_2
QMean=0.737
P1
:
(4 Cplx.)
RUN2
pKi= 6.9
352
6.6
1.6
103905084
3NGA
(100%)
+
3NG_A_3
QMean=0.747
P1
:
(13 Cplx.)
RUN1
pKi= 6
353
8.8
1.6
103905007
3R0T
(100%)
+
FU9_A_2
QMean=0.753
P1
:
(4 Cplx.)
RUN2
pKi= 7
354
6.5
1.9
103905665
4FI1
(65%)
+
ATP_A_4
QMean=0.731
P1
:
(5 Cplx.)
RUN1
pKi= 5.8
355
7.3
2.2
103904192
3NSZ
(100%)
+
ANP_A_7
QMean=0.752
P1
:
(5 Cplx.)
RUN1
pKi= 5.8
356
6.8
1.1
103905212
3R0T
(100%)
+
FU9_A_2
QMean=0.753
P1
:
(10 Cplx.)
RUN2
pKi= 5.8
357
8.8
1.4
103904938
3NSZ
(100%)
+
ANP_A_7
QMean=0.752
P1
:
(6 Cplx.)
RUN0
pKi= 6.5
358
6.0
2.2
103905114
3E3B
(85%)
+
CCK_X_2
QMean=0.697
P1
:
(7 Cplx.)
RUN2
pKi= 5.4
359
7.8
2.4
103905371
3AT3
(100%)
+
ATK_A_2
QMean=0.757
P1
:
(10 Cplx.)
RUN0
pKi= 7
360
7.6
2.4
103905253
1GIJ
(31%)
+
2PU_B_2
QMean=0.592
P1
:
(7 Cplx.)
RUN1
pKi= 6.1
361
6.7
2.0
103905554
3PWD
(77%)
+
CZ0_A_2
QMean=0.776
P1
:
(4 Cplx.)
RUN2
pKi= 5.7
362
6.8
1.6
103904508
3NGA
(100%)
+
3NG_A_3
QMean=0.747
P1
:
(6 Cplx.)
RUN2
pKi= 6
363
6.6
1.7
103904520
3NGA
(100%)
+
3NG_A_3
QMean=0.747
P1
:
(8 Cplx.)
RUN2
pKi= 5.3
364
6.7
2.3
103905607
3U4U
(100%)
+
LNH_A_2
QMean=0.746
P1
:
(4 Cplx.)
RUN2
pKi= 5.6
365
7.7
2.3
103904923
3OWK
(100%)
+
18E_A_2
QMean=0.790
P1
:
(5 Cplx.)
RUN1
pKi= 5.3
366
8.2
2.2
103904637
3OWK
(100%)
+
18E_A_2
QMean=0.790
P2
:
(4 Cplx.)
RUN0
pKi= 6.2
367
7.0
2.3
103905585
1GIJ
(31%)
+
2PU_B_2
QMean=0.592
P2
:
(6 Cplx.)
RUN1
pKi= 7.1
368
9.3
1.2
103905251
1GIJ
(31%)
+
2PU_B_2
QMean=0.592
P2
:
(4 Cplx.)
RUN1
pKi= 5.3
369
6.3
1.4
103905259
3AT3
(100%)
+
ATK_A_2
QMean=0.757
P2
:
(4 Cplx.)
RUN2
pKi= 6.4
370
5.2
1.5
103905167
1OM1
(77%)
+
IQA_A_2
QMean=0.805
P2
:
(3 Cplx.)
RUN2
pKi= 5.5
371
6.4
1.6
103904806
3NGA
(100%)
+
3NG_A_3
QMean=0.747
P2
:
(4 Cplx.)
RUN1
pKi= 5.3
372
7.0
1.6
103904912
3EZV
(31%)
+
EZV_A_2
QMean=0.604
P2
:
(3 Cplx.)
RUN2
pKi= 7.8
373
6.1
1.7
103904809
4DGO
(77%)
+
0JW_A_2
QMean=0.788
P2
:
(3 Cplx.)
RUN0
pKi= 6.3
374
7.8
1.7
103905033
1M2P
(77%)
+
HNA_A_2
QMean=0.771
P2
:
(3 Cplx.)
RUN0
pKi= 5.9
375
6.7
0.9
103904819
3AT3
(100%)
+
ATK_A_2
QMean=0.757
P2
:
(3 Cplx.)
RUN1
pKi= 7.2
376
5.4
2.3
103905421
3NSZ
(100%)
+
ANP_A_7
QMean=0.752
P2
:
(3 Cplx.)
RUN2
pKi= 5.6
377
6.9
2.3
103904906
1M2P
(77%)
+
HNA_A_2
QMean=0.771
P2
:
(4 Cplx.)
RUN2
pKi= 5.9
378
8.5
2.4
103905531
3U4U
(100%)
+
LNH_A_2
QMean=0.746
P2
:
(6 Cplx.)
RUN1
pKi= 5.8
379
7.4
2.2
103905515
3AT4
(100%)
+
ATW_A_2
QMean=0.761
P2
:
(5 Cplx.)
RUN1
pKi= 8.2
380
5.8
2.4
103904340
3OWJ
(100%)
+
1EL_A_2
QMean=0.764
P2
:
(3 Cplx.)
RUN2
pKi= 5.3
381
7.4
2.0
103904466
3E3B
(85%)
+
CCK_X_2
QMean=0.697
P2
:
(3 Cplx.)
RUN2
pKi= 6.4
382
5.7
2.3
103905208
3AT3
(100%)
+
ATK_A_2
QMean=0.757
P2
:
(3 Cplx.)
RUN0
pKi= 7.7
383
6.3
1.8
103905209
4DGM
(77%)
+
AGI_A_7
QMean=0.785
P2
:
(3 Cplx.)
RUN0
pKi= 7.5
384
4.8
1.8
103904889
3R0T
(100%)
+
FU9_A_2
QMean=0.753
P2
:
(3 Cplx.)
RUN1
pKi= 5.7
385
5.7
1.8
103905594
3EZV
(31%)
+
EZV_A_2
QMean=0.604
P2
:
(4 Cplx.)
RUN1
pKi= 6.6
386
7.4
1.6
103904193
3AT4
(100%)
+
ATW_A_2
QMean=0.761
P2
:
(6 Cplx.)
RUN1
pKi= 6.8
387
7.1
1.5
103904649
4FI1
(65%)
+
ATP_A_4
QMean=0.731
P2
:
(3 Cplx.)
RUN2
pKi= 5.5
388
6.1
2.2
103904987
3U4U
(100%)
+
LNH_A_2
QMean=0.746
P2
:
(4 Cplx.)
RUN1
pKi= 5.3
389
7.8
1.6
103904466
1M2P
(77%)
+
HNA_A_2
QMean=0.771
P2
:
(3 Cplx.)
RUN1
pKi= 6.4
390
8.0
2.4
103904514
1GIJ
(31%)
+
2PU_B_2
QMean=0.592
P2
:
(4 Cplx.)
RUN0
pKi= 8.2
391
4.4
1.9
103904703
3AT3
(100%)
+
ATK_A_2
QMean=0.757
P2
:
(3 Cplx.)
RUN1
pKi= 7.2
392
5.5
2.1
103905287
1GIJ
(31%)
+
2PU_B_2
QMean=0.592
P2
:
(3 Cplx.)
RUN1
pKi= 6.3
393
6.8
1.4
103905260
3AT4
(100%)
+
ATW_A_2
QMean=0.761
P2
:
(3 Cplx.)
RUN1
pKi= 6.2
394
7.0
2.2
103904693
4ANM
(77%)
+
WUL_A_2
QMean=0.774
P2
:
(4 Cplx.)
RUN1
pKi= 5.5
395
6.1
1.5
103905512
3MB6
(100%)
+
01I_A_2
QMean=0.769
P2
:
(3 Cplx.)
RUN2
pKi= 5.7
396
7.0
1.9
103904508
3NGA
(100%)
+
3NG_A_3
QMean=0.747
P2
:
(5 Cplx.)
RUN0
pKi= 6
397
5.9
1.3
103905238
1GIJ
(31%)
+
2PU_B_2
QMean=0.592
P2
:
(3 Cplx.)
RUN2
pKi= 5.9
398
6.2
1.6
103904611
3E3B
(85%)
+
CCK_X_2
QMean=0.697
P2
:
(5 Cplx.)
RUN1
pKi= 4.8
399
5.6
0.9
103905576
3OWL
(100%)
+
19E_A_2
QMean=0.781
P2
:
(3 Cplx.)
RUN1
pKi= 6.3
400
4.9
1.4
103905667
3AT3
(100%)
+
ATK_A_2
QMean=0.757
P2
:
(3 Cplx.)
RUN0
pKi= 6.3
401
4.9
2.3
103904730
1OM1
(77%)
+
IQA_A_2
QMean=0.805
P2
:
(4 Cplx.)
RUN1
pKi= 5.8
402
5.8
1.6
103905206
4DGO
(77%)
+
0JW_A_2
QMean=0.788
P2
:
(4 Cplx.)
RUN2
pKi= 8.3
403
6.8
1.3
103904593
1OM1
(77%)
+
IQA_A_2
QMean=0.805
P2
:
(3 Cplx.)
RUN1
pKi= 7.6
404
7.5
1.7
103905259
3OWJ
(100%)
+
1EL_A_2
QMean=0.764
P2
:
(5 Cplx.)
RUN0
pKi= 6.4
405
7.5
1.5
103905051
3AT3
(100%)
+
ATK_A_2
QMean=0.757
P2
:
(3 Cplx.)
RUN0
pKi= 5.4
406
5.8
1.3
103905050
1OM1
(77%)
+
IQA_A_2
QMean=0.805
P2
:
(8 Cplx.)
RUN1
pKi= 5.9
407
7.9
2.0
103905204
4ANM
(77%)
+
WUL_A_2
QMean=0.774
P2
:
(3 Cplx.)
RUN0
pKi= 6
408
8.7
2.1
103904513
1OM1
(77%)
+
IQA_A_2
QMean=0.805
P2
:
(3 Cplx.)
RUN2
pKi= 6.1
409
7.6
2.3
103904511
3OFM
(81%)
+
4B0_A_2
QMean=0.737
P2
:
(4 Cplx.)
RUN2
pKi= 8.5
410
7.6
1.9
103905428
4FI1
(65%)
+
ATP_A_4
QMean=0.731
P2
:
(3 Cplx.)
RUN2
pKi= 6.8
411
6.3
1.5
103904403
3U4U
(100%)
+
LNH_A_2
QMean=0.746
P2
:
(3 Cplx.)
RUN2
pKi= 6.9
412
6.9
2.4
103904912
3AT3
(100%)
+
ATK_A_2
QMean=0.757
P2
:
(4 Cplx.)
RUN0
pKi= 7.8
413
6.5
1.4
103904509
3AT3
(100%)
+
ATK_A_2
QMean=0.757
P2
:
(3 Cplx.)
RUN1
pKi= 6.5
414
7.9
2.1
103904466
3NGA
(100%)
+
3NG_A_3
QMean=0.747
P2
:
(4 Cplx.)
RUN0
pKi= 6.4
415
5.6
1.3
103904963
3E3B
(85%)
+
CCK_X_2
QMean=0.697
P2
:
(4 Cplx.)
RUN2
pKi= 5.3
416
7.5
1.5
103905598
1GIJ
(31%)
+
2PU_B_2
QMean=0.592
P2
:
(3 Cplx.)
RUN2
pKi= 6.1
417
8.1
1.3
103904514
3AT4
(100%)
+
ATW_A_2
QMean=0.761
P2
:
(4 Cplx.)
RUN1
pKi= 8.2
418
7.8
1.8
103904365
1OM1
(77%)
+
IQA_A_2
QMean=0.805
P2
:
(6 Cplx.)
RUN2
pKi= 5.6
419
6.1
2.1
103905310
3OFM
(81%)
+
4B0_A_2
QMean=0.737
P2
:
(3 Cplx.)
RUN1
pKi= 7.3
420
7.2
1.8
103905288
3OWK
(100%)
+
18E_A_2
QMean=0.790
P2
:
(3 Cplx.)
RUN2
pKi= 5.2
421
6.7
2.2
103904746
3AT4
(100%)
+
ATW_A_2
QMean=0.761
P2
:
(3 Cplx.)
RUN2
pKi= 5.6
422
7.2
2.3
103904873
3AT4
(100%)
+
ATW_A_2
QMean=0.761
P2
:
(4 Cplx.)
RUN0
pKi= 6.6
423
6.8
1.8
103905539
3AT4
(100%)
+
ATW_A_2
QMean=0.761
P2
:
(3 Cplx.)
RUN1
pKi= 5.5
424
7.5
2.0
103904512
3EZV
(31%)
+
EZV_A_2
QMean=0.604
P2
:
(4 Cplx.)
RUN0
pKi= 5.8
425
7.4
2.1
103905370
3OWK
(100%)
+
18E_A_2
QMean=0.790
P2
:
(5 Cplx.)
RUN1
pKi= 5.4
426
5.7
1.6
103905509
3AT3
(100%)
+
ATK_A_2
QMean=0.757
P2
:
(3 Cplx.)
RUN2
pKi= 6.3
427
4.3
2.5
103905376
3U4U
(100%)
+
LNH_A_2
QMean=0.746
P2
:
(3 Cplx.)
RUN0
pKi= 4.8
428
6.8
0.9
103904594
4FI1
(65%)
+
ATP_A_4
QMean=0.731
P2
:
(4 Cplx.)
RUN2
pKi= 7.1
429
7.2
1.6
103904904
3AT3
(100%)
+
ATK_A_2
QMean=0.757
P2
:
(5 Cplx.)
RUN0
pKi= 5.9
430
5.6
2.0
103904403
3AT4
(100%)
+
ATW_A_2
QMean=0.761
P2
:
(4 Cplx.)
RUN1
pKi= 6.9
431
6.9
1.6
103904637
3R0T
(100%)
+
FU9_A_2
QMean=0.753
P2
:
(3 Cplx.)
RUN1
pKi= 6.2
432
6.8
1.6
103905299
3R0T
(100%)
+
FU9_A_2
QMean=0.753
P2
:
(3 Cplx.)
RUN1
pKi= 6.5
433
6.6
2.3
103905045
1GIJ
(31%)
+
2PU_B_2
QMean=0.592
P2
:
(6 Cplx.)
RUN1
pKi= 5.4
434
5.8
2.0
103905055
3OWK
(100%)
+
18E_A_2
QMean=0.790
P2
:
(3 Cplx.)
RUN2
pKi= 6
435
5.7
1.8
103905576
3OFM
(81%)
+
4B0_A_2
QMean=0.737
P2
:
(5 Cplx.)
RUN2
pKi= 6.3
436
8.1
2.1
103904637
3OWK
(100%)
+
18E_A_2
QMean=0.790
P2
:
(3 Cplx.)
RUN2
pKi= 6.2
437
8.0
1.4
103904712
3R0T
(100%)
+
FU9_A_2
QMean=0.753
P2
:
(4 Cplx.)
RUN0
pKi= 5.9
438
7.8
2.2
103905302
3OFM
(81%)
+
4B0_A_2
QMean=0.737
P2
:
(3 Cplx.)
RUN1
pKi= 6.4
439
8.9
1.6
103905251
1GII
(31%)
+
1PU_B_2
QMean=0.631
P2
:
(4 Cplx.)
RUN2
pKi= 5.3
440
6.2
1.4
103904211
1GIJ
(31%)
+
2PU_B_2
QMean=0.592
P2
:
(3 Cplx.)
RUN2
pKi= 5.7
441
7.5
2.2
103904365
1OM1
(77%)
+
IQA_A_2
QMean=0.805
P2
:
(4 Cplx.)
RUN0
pKi= 5.6
442
5.0
2.1
103905308
3R0T
(100%)
+
FU9_A_2
QMean=0.753
P2
:
(3 Cplx.)
RUN2
pKi= 5.9
443
6.4
1.9
103904369
3E3B
(85%)
+
CCK_X_2
QMean=0.697
P2
:
(4 Cplx.)
RUN1
pKi= 6.1
444
6.9
1.3
103905253
3AT3
(100%)
+
ATK_A_2
QMean=0.757
P2
:
(4 Cplx.)
RUN2
pKi= 6.1
445
8.7
1.6
103904479
3AT3
(100%)
+
ATK_A_2
QMean=0.757
P2
:
(3 Cplx.)
RUN0
pKi= 5.4
446
7.6
1.8
103904756
3OWJ
(100%)
+
1EL_A_2
QMean=0.764
P2
:
(3 Cplx.)
RUN0
pKi= 5.5
447
8.5
2.0
103905453
3NGA
(100%)
+
3NG_A_3
QMean=0.747
P2
:
(3 Cplx.)
RUN0
pKi= 6.1
448
6.6
2.1
103905441
4FI1
(65%)
+
ATP_A_4
QMean=0.731
P2
:
(6 Cplx.)
RUN2
pKi= 5.6
449
7.5
1.9
103904403
3E3B
(85%)
+
CCK_X_2
QMean=0.697
P2
:
(3 Cplx.)
RUN0
pKi= 6.9
450
6.0
2.2
103904483
3AT3
(100%)
+
ATK_A_2
QMean=0.757
P2
:
(5 Cplx.)
RUN1
pKi= 5.8
451
4.8
2.2
103905208
3R0T
(100%)
+
FU9_A_2
QMean=0.753
P2
:
(3 Cplx.)
RUN2
pKi= 7.7
452
7.4
2.2
103905598
1OM1
(77%)
+
IQA_A_2
QMean=0.805
P2
:
(4 Cplx.)
RUN0
pKi= 6.1
453
7.0
2.3
103904203
3AT3
(100%)
+
ATK_A_2
QMean=0.757
P2
:
(4 Cplx.)
RUN1
pKi= 5.6
454
5.9
1.7
103904889
1OM1
(77%)
+
IQA_A_2
QMean=0.805
P2
:
(3 Cplx.)
RUN0
pKi= 5.7
455
7.6
2.5
103904953
3U4U
(100%)
+
LNH_A_2
QMean=0.746
P2
:
(3 Cplx.)
RUN1
pKi= 6.3
456
6.5
2.2
103905319
3OWJ
(100%)
+
1EL_A_2
QMean=0.764
P2
:
(8 Cplx.)
RUN0
pKi= 5.8
457
5.8
1.2
103905441
3OWJ
(100%)
+
1EL_A_2
QMean=0.764
P2
:
(3 Cplx.)
RUN1
pKi= 5.6
458
9.2
2.1
103904690
3AT4
(100%)
+
ATW_A_2
QMean=0.761
P2
:
(4 Cplx.)
RUN0
pKi= 5.8
459
7.2
1.7
103905371
3OWK
(100%)
+
18E_A_2
QMean=0.790
P2
:
(5 Cplx.)
RUN1
pKi= 7
460
6.3
1.6
103905206
1GIJ
(31%)
+
2PU_B_2
QMean=0.592
P2
:
(5 Cplx.)
RUN0
pKi= 8.3
461
7.4
2.3
103905270
1M2P
(77%)
+
HNA_A_2
QMean=0.771
P2
:
(5 Cplx.)
RUN2
pKi= 5.8
462
7.8
1.9
103904649
3OWL
(100%)
+
19E_A_2
QMean=0.781
P2
:
(3 Cplx.)
RUN0
pKi= 5.5
463
7.8
2.0
103905299
3OFM
(81%)
+
4B0_A_2
QMean=0.737
P2
:
(3 Cplx.)
RUN0
pKi= 6.5
464
5.5
2.0
103905206
1M2P
(77%)
+
HNA_A_2
QMean=0.771
P2
:
(3 Cplx.)
RUN1
pKi= 8.3
465
6.4
1.5
103904527
3C13
(100%)
+
EMO_A_4
QMean=0.767
P2
:
(4 Cplx.)
RUN2
pKi= 7.6
466
5.7
2.3
103904663
1OM1
(77%)
+
IQA_A_2
QMean=0.805
P2
:
(3 Cplx.)
RUN1
pKi= 5.4
467
7.4
1.2
103905459
3AT3
(100%)
+
ATK_A_2
QMean=0.757
P2
:
(6 Cplx.)
RUN2
pKi= 6.4
468
5.7
2.1
103905372
3NGA
(100%)
+
3NG_A_3
QMean=0.747
P2
:
(3 Cplx.)
RUN2
pKi= 5.6
469
7.7
2.0
103904922
3AT3
(100%)
+
ATK_A_2
QMean=0.757
P2
:
(5 Cplx.)
RUN0
pKi= 6
470
6.7
1.8
103904884
4DGO
(77%)
+
0JW_A_2
QMean=0.788
P2
:
(5 Cplx.)
RUN0
pKi= 6.8
471
6.5
1.9
103904888
3U4U
(100%)
+
LNH_A_2
QMean=0.746
P2
:
(7 Cplx.)
RUN2
pKi= 7.4
472
5.5
2.5
103905032
3OFM
(81%)
+
4B0_A_2
QMean=0.737
P2
:
(4 Cplx.)
RUN2
pKi= 5.3
473
7.0
1.6
103904978
1GIJ
(31%)
+
2PU_B_2
QMean=0.592
P2
:
(3 Cplx.)
RUN2
pKi= 5.7
474
7.0
2.2
103905113
4DGO
(77%)
+
0JW_A_2
QMean=0.788
P2
:
(3 Cplx.)
RUN2
pKi= 5.4
475
5.7
1.8
103904703
1M2P
(77%)
+
HNA_A_2
QMean=0.771
P2
:
(3 Cplx.)
RUN2
pKi= 7.2
476
5.4
1.1
103905049
3MB6
(100%)
+
01I_A_2
QMean=0.769
P2
:
(3 Cplx.)
RUN1
pKi= 5.7
477
6.0
1.6
103904913
3OWK
(100%)
+
18E_A_2
QMean=0.790
P2
:
(3 Cplx.)
RUN2
pKi= 7.1
478
6.7
2.1
103905287
3AT4
(100%)
+
ATW_A_2
QMean=0.761
P3
:
(4 Cplx.)
RUN0
pKi= 6.3
479
6.4
1.1
103904786
3U4U
(100%)
+
LNH_A_2
QMean=0.746
P3
:
(4 Cplx.)
RUN1
pKi= 5.9
480
6.3
1.1
3WIL_LCD
3PWD
(77%)
+
CZ0_A_2
QMean=0.776
P3
:
(3 Cplx.)
VALID2
-= -
481
5.7
1.7
103905032
3NGA
(100%)
+
3NG_A_3
QMean=0.747
P3
:
(3 Cplx.)
RUN1
pKi= 5.3
482
7.7
1.9
103905302
3E3B
(85%)
+
CCK_X_2
QMean=0.697
P3
:
(3 Cplx.)
RUN0
pKi= 6.4
483
7.2
1.6
103904906
3AT3
(100%)
+
ATK_A_2
QMean=0.757
P3
:
(4 Cplx.)
RUN0
pKi= 5.9
484
6.1
1.2
103905487
3OWJ
(100%)
+
1EL_A_2
QMean=0.764
P3
:
(3 Cplx.)
RUN1
pKi= 6.4
485
7.0
1.6
103905204
3AT4
(100%)
+
ATW_A_2
QMean=0.761
P3
:
(3 Cplx.)
RUN2
pKi= 6
486
5.9
2.0
103905665
3AT4
(100%)
+
ATW_A_2
QMean=0.761
P3
:
(4 Cplx.)
RUN0
pKi= 5.8
487
7.4
1.9
103904888
3AT4
(100%)
+
ATW_A_2
QMean=0.761
P3
:
(5 Cplx.)
RUN0
pKi= 7.4
488
4.5
1.4
103904620
1OM1
(77%)
+
IQA_A_2
QMean=0.805
P3
:
(3 Cplx.)
RUN2
pKi= 5
489
6.5
1.8
103905094
3AT3
(100%)
+
ATK_A_2
QMean=0.757
P3
:
(3 Cplx.)
RUN2
pKi= 5.5
490
4.5
1.6
103904620
1OM1
(77%)
+
IQA_A_2
QMean=0.805
P3
:
(4 Cplx.)
RUN1
pKi= 5
491
5.6
1.4
103905546
4DGM
(77%)
+
AGI_A_7
QMean=0.785
P3
:
(3 Cplx.)
RUN2
pKi= 6
492
8.0
1.6
103904513
3OFM
(81%)
+
4B0_A_2
QMean=0.737
P3
:
(3 Cplx.)
RUN1
pKi= 6.1
493
5.2
1.9
103905636
3NSZ
(100%)
+
ANP_A_7
QMean=0.752
P3
:
(3 Cplx.)
RUN1
pKi= 5.7
494
6.5
1.9
103905594
1OM1
(77%)
+
IQA_A_2
QMean=0.805
P3
:
(3 Cplx.)
RUN2
pKi= 6.6
495
5.5
2.4
103904482
1DAY
(77%)
+
GNP_A_4
QMean=0.736
P3
:
(4 Cplx.)
RUN2
pKi= 5.8
496
5.5
1.8
103905288
3NGA
(100%)
+
3NG_A_3
QMean=0.747
P3
:
(3 Cplx.)
RUN1
pKi= 5.2
497
5.9
2.4
103905320
1OM1
(77%)
+
IQA_A_2
QMean=0.805
P3
:
(4 Cplx.)
RUN2
pKi= 5.9
498
7.4
2.0
103904465
3U4U
(100%)
+
LNH_A_2
QMean=0.746
P3
:
(3 Cplx.)
RUN1
pKi= 6.6
499
5.2
2.2
103905481
3OWK
(100%)
+
18E_A_2
QMean=0.790
P3
:
(3 Cplx.)
RUN2
pKi= 6.2
500
6.7
1.8
103904216
3NGA
(100%)
+
3NG_A_3
QMean=0.747
P3
:
(3 Cplx.)
RUN2
pKi= 7
501
6.5
2.1
103904519
3C13
(100%)
+
EMO_A_4
QMean=0.767
P3
:
(3 Cplx.)
RUN2
pKi= 6.5
502
8.5
1.7
103904602
3NGA
(100%)
+
3NG_A_3
QMean=0.747
P3
:
(3 Cplx.)
RUN0
pKi= 5.7
503
6.9
1.1
103905113
3R0T
(100%)
+
FU9_A_2
QMean=0.753
P3
:
(3 Cplx.)
RUN1
pKi= 5.4
504
6.6
2.0
103904487
1OM1
(77%)
+
IQA_A_2
QMean=0.805
P3
:
(4 Cplx.)
RUN0
pKi= 5.2
505
7.3
1.6
103904979
1GIJ
(31%)
+
2PU_B_2
QMean=0.592
P3
:
(3 Cplx.)
RUN1
pKi= 7
506
6.0
1.4
103905234
3C13
(100%)
+
EMO_A_4
QMean=0.767
P3
:
(4 Cplx.)
RUN2
pKi= 5.4
507
5.9
1.4
103905209
4DGO
(77%)
+
0JW_A_2
QMean=0.788
P3
:
(3 Cplx.)
RUN2
pKi= 7.5
508
6.8
1.7
103905253
3AT3
(100%)
+
ATK_A_2
QMean=0.757
P3
:
(3 Cplx.)
RUN0
pKi= 6.1
509
7.8
2.1
103905554
3OWL
(100%)
+
19E_A_2
QMean=0.781
P3
:
(3 Cplx.)
RUN0
pKi= 5.7
510
5.8
1.3
103904482
3AT4
(100%)
+
ATW_A_2
QMean=0.761
P3
:
(3 Cplx.)
RUN0
pKi= 5.8
511
6.4
1.9
103905238
1GIJ
(31%)
+
2PU_B_2
QMean=0.592
P3
:
(3 Cplx.)
RUN0
pKi= 5.9
512
5.8
1.5
103904895
3NGA
(100%)
+
3NG_A_3
QMean=0.747
P3
:
(3 Cplx.)
RUN1
pKi= 7.3
513
6.7
1.6
103904527
3NGA
(100%)
+
3NG_A_3
QMean=0.747
P4
:
(3 Cplx.)
RUN1
pKi= 7.6
514
5.6
1.3
103905512
3NGA
(100%)
+
3NG_A_3
QMean=0.747
P4
:
(3 Cplx.)
RUN1
pKi= 5.7
515
6.5
2.1
103904746
3NGA
(100%)
+
3NG_A_3
QMean=0.747
P4
:
(3 Cplx.)
RUN0
pKi= 5.6
516
5.6
2.1
103905310
3OFM
(81%)
+
4B0_A_2
QMean=0.737
P4
:
(3 Cplx.)
RUN2
pKi= 7.3
517
6.4
1.5
103904508
3AT3
(100%)
+
ATK_A_2
QMean=0.757
P4
:
(3 Cplx.)
RUN1
pKi= 6
518
8.2
1.6
103904511
3NGA
(100%)
+
3NG_A_3
QMean=0.747
P4
:
(3 Cplx.)
RUN1
pKi= 8.5
519
7.6
2.1
103904899
3AT4
(100%)
+
ATW_A_2
QMean=0.761
P4
:
(3 Cplx.)
RUN0
pKi= 7.3
520
6.7
2.0
103904527
3U4U
(100%)
+
LNH_A_2
QMean=0.746
P4
:
(3 Cplx.)
RUN0
pKi= 7.6
521
5.0
1.9
103905309
3R0T
(100%)
+
FU9_A_2
QMean=0.753
P4
:
(3 Cplx.)
RUN1
pKi= 6.9
522
9.1
2.2
103904596
3NSZ
(100%)
+
ANP_A_7
QMean=0.752
P4
:
(3 Cplx.)
RUN0
pKi= 6.2
523
6.7
1.8
103904873
1GIJ
(31%)
+
2PU_B_2
QMean=0.592
P4
:
(3 Cplx.)
RUN2
pKi= 6.6
Correlation coefficient (Pearson) between mesured and calculated pKd: R=0.16
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