Screening Results : Docking based on all models from entry : NTRK1_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
103904192
103904193
103904194
103904195
103904196
103904197
103904202
103904203
103904207
103904209
103904210
103904211
103904213
103904214
103904268
103904269
103904270
103904271
103904272
103904273
103904274
103904275
103904276
103904277
103904278
103904279
103904280
103904282
103904283
103904284
103904285
103904286
103904287
103904288
103904289
103904290
103904291
103904292
103904293
103904294
103904296
103904297
103904300
103904302
103904303
103904304
103904307
103904308
103904309
103904310
103904313
103904314
103904315
103904316
103904317
103904318
103904320
103904322
103904323
103904324
103904325
103904326
103904329
103904332
103904335
103904337
103904341
103904348
103904351
103904354
103904356
103904357
103904358
103904361
103904362
103904366
103904367
103904370
103904404
103904406
103904411
103904418
103904419
103904441
103904442
103904443
103904444
103904446
103904447
103904448
103904451
103904453
103904457
103904458
103904459
103904462
103904466
103904482
103904502
103904505
103904568
103904579
103904591
103904592
103904593
103904595
103904596
103904599
103904602
103904603
103904604
103904610
103904636
103904644
103904645
103904647
103904671
103904678
103904684
103904704
103904739
103904740
103904742
103904744
103904754
103904784
103904785
103904787
103904788
103904789
103904796
103904802
103904811
103904818
103904825
103904826
103904830
103904854
103904855
103904857
103904861
103904862
103904865
103904867
103904868
103904871
103904880
103904904
103904906
103904913
103904925
103904941
103904947
103904953
103904976
103904977
103904991
103905004
103905008
103905026
103905027
103905029
103905033
103905034
103905057
103905073
103905075
103905087
103905088
103905089
103905092
103905093
103905094
103905095
103905109
103905110
103905111
103905112
103905113
103905114
103905116
103905117
103905200
103905212
103905213
103905215
103905219
103905220
103905226
103905230
103905235
103905238
103905245
103905247
103905250
103905251
103905275
103905282
103905295
103905297
103905298
103905313
103905316
103905317
103905326
103905327
103905331
103905368
103905401
103905406
103905429
103905446
103905456
103905469
103905488
103905499
103905503
103905521
103905531
103905551
103905552
103905558
103905560
103905574
103905578
103905585
103905601
103905604
103905607
103905608
103905611
103905615
103905623
103905632
103905636
103905639
103905648
103905657
103905668
103905670
103905673
103905675
103905680
103905682
103905684
4PMM_31V
4PMP_31W
4PMS_31X
4PMT_31Y
Complex support
[Template
(Ident)
+ Anchor]
Model Quality
(QMean)
Position of Lig.
Study
Measure
1
11.7
1.8
103904270
4HW7
(39%)
+
64M_A_2
QMean=0.481
P1
:
(5 Cplx.)
RUN1
pKi= 7
2
11.5
1.8
103904270
4HW7
(39%)
+
64M_A_2
QMean=0.481
P1
:
(4 Cplx.)
RUN0
pKi= 7
3
11.3
1.5
103904270
4HW7
(39%)
+
64M_A_2
QMean=0.481
P1
:
(6 Cplx.)
RUN2
pKi= 7
4
11.3
1.7
103904289
4HW7
(39%)
+
64M_A_2
QMean=0.481
P1
:
(5 Cplx.)
RUN1
pKi= 7.6
5
11.2
1.6
103904289
4HW7
(39%)
+
64M_A_2
QMean=0.481
P1
:
(5 Cplx.)
RUN0
pKi= 7.6
6
11.1
1.6
103904320
3ETA
(44%)
+
351_A_3
QMean=0.486
P2
:
(3 Cplx.)
RUN0
pKi= 7.8
7
10.9
1.5
103904302
4HW7
(39%)
+
64M_A_2
QMean=0.481
P1
:
(5 Cplx.)
RUN0
pKi= 6.5
8
10.9
1.4
103904289
4HW7
(39%)
+
64M_A_2
QMean=0.481
P1
:
(4 Cplx.)
RUN2
pKi= 7.6
9
10.8
1.4
103904302
4HW7
(39%)
+
64M_A_2
QMean=0.481
P1
:
(5 Cplx.)
RUN2
pKi= 6.5
10
10.8
1.9
103905313
1OPK
(37%)
+
P16_A_3
QMean=0.462
P1
:
(3 Cplx.)
RUN0
pKi= 5.6
11
10.7
1.6
103904288
4HW7
(39%)
+
64M_A_2
QMean=0.481
P1
:
(3 Cplx.)
RUN1
pKi= 6.8
12
10.6
1.2
103904354
4AT4
(75%)
+
T6E_A_2
QMean=0.523
P1
:
(5 Cplx.)
RUN2
pKi= 7.3
13
10.6
1.3
103904354
4AT4
(75%)
+
T6E_A_2
QMean=0.523
P1
:
(4 Cplx.)
RUN0
pKi= 7.3
14
10.6
1.6
103904354
4HW7
(39%)
+
64M_A_2
QMean=0.481
P2
:
(3 Cplx.)
RUN1
pKi= 7.3
15
10.6
1.8
103904288
4HW7
(39%)
+
64M_A_2
QMean=0.481
P1
:
(6 Cplx.)
RUN0
pKi= 6.8
16
10.5
1.5
103904302
4HW7
(39%)
+
64M_A_2
QMean=0.481
P1
:
(5 Cplx.)
RUN1
pKi= 6.5
17
10.5
1.7
103904326
4HW7
(39%)
+
64M_A_2
QMean=0.481
P1
:
(3 Cplx.)
RUN2
pKi= 6.8
18
10.5
1.8
103904304
4HW7
(39%)
+
64M_A_2
QMean=0.481
P2
:
(3 Cplx.)
RUN1
pKi= 7.3
19
10.4
1.7
103904283
4HW7
(39%)
+
64M_A_2
QMean=0.481
P1
:
(4 Cplx.)
RUN1
pKi= 7.2
20
10.4
1.5
103904293
4HW7
(39%)
+
64M_A_2
QMean=0.481
P1
:
(4 Cplx.)
RUN1
pKi= 8.2
21
10.4
1.7
103904282
4HW7
(39%)
+
64M_A_2
QMean=0.481
P1
:
(4 Cplx.)
RUN1
pKi= 6.6
22
10.4
1.5
103904320
4HW7
(39%)
+
64M_A_2
QMean=0.481
P1
:
(4 Cplx.)
RUN2
pKi= 7.8
23
10.3
1.2
103904322
4HW7
(39%)
+
64M_A_2
QMean=0.481
P1
:
(3 Cplx.)
RUN2
pKi= 7.1
24
10.3
1.7
103904292
4HW7
(39%)
+
64M_A_2
QMean=0.481
P1
:
(4 Cplx.)
RUN1
pKi= 8
25
10.2
1.3
103904288
4HW7
(39%)
+
64M_A_2
QMean=0.481
P1
:
(5 Cplx.)
RUN2
pKi= 6.8
26
10.2
1.3
103904322
4HW7
(39%)
+
64M_A_2
QMean=0.481
P2
:
(3 Cplx.)
RUN0
pKi= 7.1
27
10.1
1.6
103904313
4HW7
(39%)
+
64M_A_2
QMean=0.481
P2
:
(3 Cplx.)
RUN1
pKi= 8.1
28
10.1
1.8
103904315
4HW7
(39%)
+
64M_A_2
QMean=0.481
P1
:
(4 Cplx.)
RUN1
pKi= 7
29
10.1
1.8
103904273
4HW7
(39%)
+
64M_A_2
QMean=0.481
P1
:
(3 Cplx.)
RUN1
pKi= 7
30
10.0
1.2
103904269
4AT4
(75%)
+
T6E_A_2
QMean=0.523
P1
:
(6 Cplx.)
RUN0
pKi= 6.2
31
10.0
1.8
103904287
4HW7
(39%)
+
64M_A_2
QMean=0.481
P2
:
(3 Cplx.)
RUN1
pKi= 5.6
32
10.0
1.6
103904297
4HW7
(39%)
+
64M_A_2
QMean=0.481
P1
:
(5 Cplx.)
RUN1
pKi= 7.4
33
9.9
1.9
103904991
3ETA
(44%)
+
351_A_3
QMean=0.486
P1
:
(4 Cplx.)
RUN2
pKi= 5.9
34
9.9
1.3
103904291
4AT4
(75%)
+
T6E_A_2
QMean=0.523
P1
:
(3 Cplx.)
RUN1
pKi= 7.1
35
9.9
1.7
103904754
4HW7
(39%)
+
64M_A_2
QMean=0.481
P1
:
(3 Cplx.)
RUN1
pKi= 7.1
36
9.9
1.5
103904314
4HW7
(39%)
+
64M_A_2
QMean=0.481
P2
:
(3 Cplx.)
RUN1
pKi= 7.6
37
9.9
1.3
103904323
4AT4
(75%)
+
T6E_A_2
QMean=0.523
P1
:
(4 Cplx.)
RUN1
pKi= 7.8
38
9.8
0.8
103904269
4AT4
(75%)
+
T6E_A_2
QMean=0.523
P1
:
(5 Cplx.)
RUN2
pKi= 6.2
39
9.8
1.6
103904318
4HW7
(39%)
+
64M_A_2
QMean=0.481
P1
:
(5 Cplx.)
RUN1
pKi= 7.7
40
9.8
2.3
103904418
4HW7
(39%)
+
64M_A_2
QMean=0.481
P1
:
(3 Cplx.)
RUN1
pKi= 5.7
41
9.8
1.4
103904282
4HW7
(39%)
+
64M_A_2
QMean=0.481
P1
:
(3 Cplx.)
RUN2
pKi= 6.6
42
9.8
1.7
103904303
4HW7
(39%)
+
64M_A_2
QMean=0.481
P1
:
(5 Cplx.)
RUN1
pKi= 6.7
43
9.8
2.3
103904271
3V5Q
(76%)
+
0F4_A_4
QMean=0.496
P1
:
(3 Cplx.)
RUN0
pKi= 6.2
44
9.7
1.7
103904754
4FNZ
(41%)
+
NZF_A_2
QMean=0.534
P2
:
(3 Cplx.)
RUN2
pKi= 7.1
45
9.7
1.8
103904280
4HW7
(39%)
+
64M_A_2
QMean=0.481
P1
:
(4 Cplx.)
RUN1
pKi= 5.9
46
9.7
1.9
103904367
4HW7
(39%)
+
64M_A_2
QMean=0.481
P2
:
(3 Cplx.)
RUN0
pKi= 7.8
47
9.7
1.8
103904274
4HW7
(39%)
+
64M_A_2
QMean=0.481
P1
:
(3 Cplx.)
RUN1
pKi= 6.6
48
9.7
1.3
103904596
3QQU
(41%)
+
01P_D_8
QMean=0.465
P1
:
(6 Cplx.)
RUN0
pKi= 6.9
49
9.6
1.5
103905088
4HW7
(39%)
+
64M_A_2
QMean=0.481
P1
:
(7 Cplx.)
RUN1
pKi= 5.4
50
9.6
1.4
103904290
4HW7
(39%)
+
64M_A_2
QMean=0.481
P1
:
(3 Cplx.)
RUN1
pKi= 7.9
51
9.6
1.8
103904285
4HW7
(39%)
+
64M_A_2
QMean=0.481
P2
:
(3 Cplx.)
RUN1
pKi= 7
52
9.6
1.6
103904314
4HW7
(39%)
+
64M_A_2
QMean=0.481
P1
:
(3 Cplx.)
RUN0
pKi= 7.6
53
9.6
1.8
103904269
4HW7
(39%)
+
64M_A_2
QMean=0.481
P1
:
(4 Cplx.)
RUN1
pKi= 6.2
54
9.5
1.7
103904357
4HW7
(39%)
+
64M_A_2
QMean=0.481
P1
:
(6 Cplx.)
RUN1
pKi= 5.9
55
9.5
1.4
103905088
4HW7
(39%)
+
64M_A_2
QMean=0.481
P1
:
(8 Cplx.)
RUN2
pKi= 5.4
56
9.5
1.7
103904366
4AT4
(75%)
+
T6E_A_2
QMean=0.523
P2
:
(4 Cplx.)
RUN0
pKi= 6.9
57
9.5
1.0
103904358
4AT4
(75%)
+
T6E_A_2
QMean=0.523
P1
:
(6 Cplx.)
RUN0
pKi= 6.7
58
9.5
1.6
103904303
4HW7
(39%)
+
64M_A_2
QMean=0.481
P2
:
(3 Cplx.)
RUN2
pKi= 6.7
59
9.5
2.2
103904357
3DZQ
(37%)
+
IFC_A_2
QMean=0.548
P1
:
(6 Cplx.)
RUN0
pKi= 5.9
60
9.5
1.6
103904366
4HW7
(39%)
+
64M_A_2
QMean=0.481
P2
:
(3 Cplx.)
RUN1
pKi= 6.9
61
9.5
1.7
103904811
3C4F
(40%)
+
C4F_A_3
QMean=0.467
P1
:
(3 Cplx.)
RUN0
pKi= 6.3
62
9.5
1.8
103905088
4HW7
(39%)
+
64M_A_2
QMean=0.481
P2
:
(3 Cplx.)
RUN0
pKi= 5.4
63
9.5
1.4
103904287
4HW7
(39%)
+
64M_A_2
QMean=0.481
P2
:
(4 Cplx.)
RUN0
pKi= 5.6
64
9.5
1.9
103904784
4FNY
(41%)
+
I3K_A_2
QMean=0.521
P1
:
(3 Cplx.)
RUN1
pKi= 6.5
65
9.4
1.6
103904283
4HW7
(39%)
+
64M_A_2
QMean=0.481
P1
:
(5 Cplx.)
RUN2
pKi= 7.2
66
9.4
2.4
103904357
3DZQ
(37%)
+
IFC_A_2
QMean=0.548
P1
:
(7 Cplx.)
RUN2
pKi= 5.9
67
9.4
1.8
103905033
4HW7
(39%)
+
64M_A_2
QMean=0.481
P1
:
(4 Cplx.)
RUN0
pKi= 5.8
68
9.3
1.6
103905034
4HW7
(39%)
+
64M_A_2
QMean=0.481
P1
:
(5 Cplx.)
RUN0
pKi= 5.3
69
9.3
1.2
103904367
4HW7
(39%)
+
64M_A_2
QMean=0.481
P1
:
(5 Cplx.)
RUN1
pKi= 7.8
70
9.3
1.1
103905326
4HW7
(39%)
+
64M_A_2
QMean=0.481
P1
:
(5 Cplx.)
RUN0
pKi= 5
71
9.3
1.0
103904317
4AT4
(75%)
+
T6E_A_2
QMean=0.523
P1
:
(4 Cplx.)
RUN1
pKi= 7.2
72
9.3
0.8
103904358
4AT4
(75%)
+
T6E_A_2
QMean=0.523
P1
:
(4 Cplx.)
RUN2
pKi= 6.7
73
9.3
1.5
103904300
4HW7
(39%)
+
64M_A_2
QMean=0.481
P1
:
(4 Cplx.)
RUN1
pKi= 6.7
74
9.2
1.1
103904280
4HW7
(39%)
+
64M_A_2
QMean=0.481
P1
:
(5 Cplx.)
RUN2
pKi= 5.9
75
9.2
2.3
103904447
4FNY
(41%)
+
I3K_A_2
QMean=0.521
P1
:
(3 Cplx.)
RUN0
pKi= 5.9
76
9.2
1.6
103904286
4HW7
(39%)
+
64M_A_2
QMean=0.481
P1
:
(4 Cplx.)
RUN1
pKi= 6.6
77
9.2
1.7
103904283
4AT4
(75%)
+
T6E_A_2
QMean=0.523
P1
:
(3 Cplx.)
RUN0
pKi= 7.2
78
9.2
2.0
103904280
4HW7
(39%)
+
64M_A_2
QMean=0.481
P2
:
(3 Cplx.)
RUN0
pKi= 5.9
79
9.2
1.9
103904308
4AT4
(75%)
+
T6E_A_2
QMean=0.523
P2
:
(3 Cplx.)
RUN0
pKi= 7.7
80
9.2
1.6
103904285
4HW7
(39%)
+
64M_A_2
QMean=0.481
P3
:
(3 Cplx.)
RUN2
pKi= 7
81
9.2
1.8
103904310
4HW7
(39%)
+
64M_A_2
QMean=0.481
P3
:
(3 Cplx.)
RUN1
pKi= 7.7
82
9.2
1.9
103904309
4HW7
(39%)
+
64M_A_2
QMean=0.481
P3
:
(3 Cplx.)
RUN1
pKi= 8.1
83
9.1
1.9
103904293
4HW7
(39%)
+
64M_A_2
QMean=0.481
P1
:
(3 Cplx.)
RUN2
pKi= 8.2
84
9.1
1.3
103905026
3NW7
(41%)
+
LGV_A_2
QMean=0.534
P1
:
(6 Cplx.)
RUN2
pKi= 8.8
85
9.1
1.7
103904335
4HW7
(39%)
+
64M_A_2
QMean=0.481
P1
:
(6 Cplx.)
RUN0
pKi= 6
86
9.1
2.1
103904446
4FNY
(41%)
+
I3K_A_2
QMean=0.521
P2
:
(3 Cplx.)
RUN0
pKi= 5.9
87
9.1
2.0
103904273
4HW7
(39%)
+
64M_A_2
QMean=0.481
P1
:
(3 Cplx.)
RUN2
pKi= 7
88
9.1
2.2
103905313
4FNY
(41%)
+
I3K_A_2
QMean=0.521
P1
:
(3 Cplx.)
RUN1
pKi= 5.6
89
9.1
1.6
103904443
4FNY
(41%)
+
I3K_A_2
QMean=0.521
P2
:
(5 Cplx.)
RUN1
pKi= 5.8
90
9.1
1.3
103905251
4AOJ
(100%)
+
V4Z_C_10
QMean=0.582
P1
:
(6 Cplx.)
RUN0
pKi= 7
91
9.1
1.4
103905026
3NW7
(41%)
+
LGV_A_2
QMean=0.534
P1
:
(5 Cplx.)
RUN0
pKi= 8.8
92
9.1
2.4
103904784
3CBL
(41%)
+
STU_A_3
QMean=0.492
P2
:
(3 Cplx.)
RUN0
pKi= 6.5
93
9.0
2.2
103904447
4FNY
(41%)
+
I3K_A_2
QMean=0.521
P1
:
(4 Cplx.)
RUN2
pKi= 5.9
94
9.0
1.6
103905250
3QQU
(41%)
+
01P_D_8
QMean=0.465
P1
:
(6 Cplx.)
RUN0
pKi= 6
95
9.0
0.9
103904277
4AT4
(75%)
+
T6E_A_2
QMean=0.523
P1
:
(5 Cplx.)
RUN1
pKi= 8
96
9.0
1.4
103904462
4HW7
(39%)
+
64M_A_2
QMean=0.481
P1
:
(3 Cplx.)
RUN1
pKi= 7.2
97
9.0
1.6
103904287
3ETA
(44%)
+
351_A_3
QMean=0.486
P1
:
(4 Cplx.)
RUN2
pKi= 5.6
98
9.0
1.8
103904443
4FNY
(41%)
+
I3K_A_2
QMean=0.521
P1
:
(4 Cplx.)
RUN0
pKi= 5.8
99
9.0
1.8
103904991
3ETA
(44%)
+
351_A_3
QMean=0.486
P1
:
(4 Cplx.)
RUN1
pKi= 5.9
100
9.0
1.3
103905326
4HW7
(39%)
+
64M_A_2
QMean=0.481
P1
:
(5 Cplx.)
RUN2
pKi= 5
101
8.9
1.3
103904647
4FNY
(41%)
+
I3K_A_2
QMean=0.521
P1
:
(4 Cplx.)
RUN1
pKi= 5.6
102
8.9
2.1
103904991
2XYN
(37%)
+
VX6_A_5
QMean=0.464
P2
:
(3 Cplx.)
RUN0
pKi= 5.9
103
8.9
2.0
103904304
1OPK
(37%)
+
P16_A_3
QMean=0.462
P1
:
(3 Cplx.)
RUN0
pKi= 7.3
104
8.9
2.0
103904446
4FNY
(41%)
+
I3K_A_2
QMean=0.521
P1
:
(4 Cplx.)
RUN2
pKi= 5.9
105
8.9
1.1
103905034
4AT4
(75%)
+
T6E_A_2
QMean=0.523
P1
:
(5 Cplx.)
RUN1
pKi= 5.3
106
8.9
1.8
103904592
1OPK
(37%)
+
P16_A_3
QMean=0.462
P1
:
(6 Cplx.)
RUN2
pKi= 7.1
107
8.9
1.8
103904329
4FNY
(41%)
+
I3K_A_2
QMean=0.521
P1
:
(5 Cplx.)
RUN2
pKi= 5.6
108
8.9
2.1
103904754
4HW7
(39%)
+
64M_A_2
QMean=0.481
P1
:
(3 Cplx.)
RUN0
pKi= 7.1
109
8.9
1.2
103904314
4HW7
(39%)
+
64M_A_2
QMean=0.481
P1
:
(3 Cplx.)
RUN2
pKi= 7.6
110
8.9
2.2
103904865
4FOB
(41%)
+
0US_A_2
QMean=0.526
P1
:
(3 Cplx.)
RUN0
pKi= 6.4
111
8.9
1.0
103904358
4AT4
(75%)
+
T6E_A_2
QMean=0.523
P2
:
(4 Cplx.)
RUN1
pKi= 6.7
112
8.9
2.4
103904457
3DZQ
(37%)
+
IFC_A_2
QMean=0.548
P2
:
(3 Cplx.)
RUN0
pKi= 6.4
113
8.9
1.5
103904351
4FNY
(41%)
+
I3K_A_2
QMean=0.521
P1
:
(5 Cplx.)
RUN1
pKi= 6.2
114
8.9
1.0
103904335
4AT4
(75%)
+
T6E_A_2
QMean=0.523
P2
:
(5 Cplx.)
RUN1
pKi= 6
115
8.8
1.1
103905034
3ZOS
(45%)
+
0LI_B_7
QMean=0.538
P1
:
(4 Cplx.)
RUN2
pKi= 5.3
116
8.8
2.2
103905027
4AOJ
(100%)
+
V4Z_C_10
QMean=0.582
P1
:
(8 Cplx.)
RUN0
pKi= 6.2
117
8.8
1.8
103904317
4HW7
(39%)
+
64M_A_2
QMean=0.481
P2
:
(3 Cplx.)
RUN2
pKi= 7.2
118
8.8
2.2
103904272
4AT4
(75%)
+
T6E_A_2
QMean=0.523
P1
:
(3 Cplx.)
RUN0
pKi= 7.2
119
8.8
1.1
103904462
3ETA
(44%)
+
351_A_3
QMean=0.486
P1
:
(3 Cplx.)
RUN0
pKi= 7.2
120
8.7
1.8
103904308
3ETA
(44%)
+
351_A_3
QMean=0.486
P1
:
(4 Cplx.)
RUN2
pKi= 7.7
121
8.7
2.0
103904351
4HW7
(39%)
+
64M_A_2
QMean=0.481
P3
:
(3 Cplx.)
RUN0
pKi= 6.2
122
8.7
1.5
103904362
4HW7
(39%)
+
64M_A_2
QMean=0.481
P2
:
(3 Cplx.)
RUN1
pKi= 5.9
123
8.7
2.3
103904329
3DZQ
(37%)
+
IFC_A_2
QMean=0.548
P1
:
(7 Cplx.)
RUN0
pKi= 5.6
124
8.7
2.4
103904296
3DZQ
(37%)
+
IFC_A_2
QMean=0.548
P1
:
(5 Cplx.)
RUN2
pKi= 6.3
125
8.7
2.0
103904361
4AT4
(75%)
+
T6E_A_2
QMean=0.523
P2
:
(3 Cplx.)
RUN0
pKi= 6.3
126
8.7
1.3
103904367
4HW7
(39%)
+
64M_A_2
QMean=0.481
P2
:
(3 Cplx.)
RUN2
pKi= 7.8
127
8.7
2.3
103904647
4DCE
(41%)
+
0JF_B_4
QMean=0.528
P1
:
(6 Cplx.)
RUN0
pKi= 5.6
128
8.7
1.7
103904796
4DCE
(41%)
+
0JF_B_4
QMean=0.528
P3
:
(3 Cplx.)
RUN0
pKi= 6.8
129
8.7
1.5
103904462
4DCE
(41%)
+
0JF_B_4
QMean=0.528
P1
:
(4 Cplx.)
RUN2
pKi= 7.2
130
8.7
2.3
103904784
4DCE
(41%)
+
0JF_B_4
QMean=0.528
P1
:
(4 Cplx.)
RUN2
pKi= 6.5
131
8.7
1.6
103904857
4FNY
(41%)
+
I3K_A_2
QMean=0.521
P2
:
(4 Cplx.)
RUN0
pKi= 5.8
132
8.6
2.0
103904274
3ETA
(44%)
+
351_A_3
QMean=0.486
P1
:
(3 Cplx.)
RUN2
pKi= 6.6
133
8.6
1.7
103904278
3ETA
(44%)
+
351_A_3
QMean=0.486
P3
:
(3 Cplx.)
RUN1
pKi= 6.8
134
8.6
1.8
103904740
4AT4
(75%)
+
T6E_A_2
QMean=0.523
P1
:
(3 Cplx.)
RUN0
pKi= 6.1
135
8.6
2.5
103904315
1FGI
(40%)
+
SU1_A_4
QMean=0.478
P1
:
(3 Cplx.)
RUN2
pKi= 7
136
8.6
1.4
103905213
1OPK
(37%)
+
P16_A_3
QMean=0.462
P1
:
(7 Cplx.)
RUN0
pKi= 6.1
137
8.6
1.4
103904443
4HW7
(39%)
+
64M_A_2
QMean=0.481
P1
:
(5 Cplx.)
RUN2
pKi= 5.8
138
8.6
1.9
103904446
4HW7
(39%)
+
64M_A_2
QMean=0.481
P1
:
(4 Cplx.)
RUN1
pKi= 5.9
139
8.6
1.9
103904447
4HW7
(39%)
+
64M_A_2
QMean=0.481
P1
:
(5 Cplx.)
RUN1
pKi= 5.9
140
8.6
1.5
103904857
4AT4
(75%)
+
T6E_A_2
QMean=0.523
P1
:
(6 Cplx.)
RUN1
pKi= 5.8
141
8.6
1.0
103904855
4AT4
(75%)
+
T6E_A_2
QMean=0.523
P2
:
(3 Cplx.)
RUN1
pKi= 5.7
142
8.6
1.6
103904290
4HW7
(39%)
+
64M_A_2
QMean=0.481
P1
:
(4 Cplx.)
RUN2
pKi= 7.9
143
8.5
1.0
103904335
4AT4
(75%)
+
T6E_A_2
QMean=0.523
P1
:
(4 Cplx.)
RUN2
pKi= 6
144
8.5
1.4
103904296
4HW7
(39%)
+
64M_A_2
QMean=0.481
P1
:
(4 Cplx.)
RUN1
pKi= 6.3
145
8.5
2.1
103904457
3DZQ
(37%)
+
IFC_A_2
QMean=0.548
P2
:
(3 Cplx.)
RUN2
pKi= 6.4
146
8.5
1.0
103905033
4HW7
(39%)
+
64M_A_2
QMean=0.481
P2
:
(3 Cplx.)
RUN2
pKi= 5.8
147
8.5
1.8
103904275
4HW7
(39%)
+
64M_A_2
QMean=0.481
P1
:
(4 Cplx.)
RUN2
pKi= 6.5
148
8.5
1.3
103904366
3ETA
(44%)
+
351_A_3
QMean=0.486
P1
:
(5 Cplx.)
RUN2
pKi= 6.9
149
8.5
1.6
103904351
4HW7
(39%)
+
64M_A_2
QMean=0.481
P2
:
(4 Cplx.)
RUN2
pKi= 6.2
150
8.5
1.0
103905251
4AOJ
(100%)
+
V4Z_C_10
QMean=0.582
P1
:
(4 Cplx.)
RUN2
pKi= 7
151
8.5
1.6
103904361
4AT4
(75%)
+
T6E_A_2
QMean=0.523
P1
:
(4 Cplx.)
RUN2
pKi= 6.3
152
8.5
1.3
103905026
3NW7
(41%)
+
LGV_A_2
QMean=0.534
P1
:
(3 Cplx.)
RUN1
pKi= 8.8
153
8.5
1.9
103904857
4FNY
(41%)
+
I3K_A_2
QMean=0.521
P2
:
(4 Cplx.)
RUN2
pKi= 5.8
154
8.5
2.3
103904279
3ETA
(44%)
+
351_A_3
QMean=0.486
P1
:
(3 Cplx.)
RUN0
pKi= 8.6
155
8.5
2.2
103904290
3ETA
(44%)
+
351_A_3
QMean=0.486
P3
:
(3 Cplx.)
RUN0
pKi= 7.9
156
8.5
2.5
103904602
4AOJ
(100%)
+
V4Z_C_10
QMean=0.582
P1
:
(4 Cplx.)
RUN0
pKi= 6.8
157
8.5
1.5
103904276
4HW7
(39%)
+
64M_A_2
QMean=0.481
P1
:
(3 Cplx.)
RUN1
pKi= 6.8
158
8.4
1.5
103904210
4FNY
(41%)
+
I3K_A_2
QMean=0.521
P3
:
(3 Cplx.)
RUN0
pKi= 5.9
159
8.4
2.1
103905623
3C4F
(40%)
+
C4F_A_3
QMean=0.467
P2
:
(3 Cplx.)
RUN2
pKi= 5.8
160
8.4
2.3
103904603
2XB7
(41%)
+
GUI_A_2
QMean=0.527
P1
:
(3 Cplx.)
RUN0
pKi= 6.4
161
8.4
1.8
4PMP_31W
4HW7
(39%)
+
64M_A_2
QMean=0.481
P1
:
(3 Cplx.)
VALID0
-= -
162
8.4
1.5
103904192
4FNY
(41%)
+
I3K_A_2
QMean=0.521
P1
:
(5 Cplx.)
RUN0
pKi= 6.8
163
8.4
1.6
103904275
4HW7
(39%)
+
64M_A_2
QMean=0.481
P1
:
(4 Cplx.)
RUN1
pKi= 6.5
164
8.4
1.6
103904195
1OPK
(37%)
+
P16_A_3
QMean=0.462
P1
:
(9 Cplx.)
RUN0
pKi= 6.7
165
8.4
1.8
103905608
1FGI
(40%)
+
SU1_A_4
QMean=0.478
P1
:
(4 Cplx.)
RUN0
pKi= 6.1
166
8.4
1.5
103904458
3DZQ
(37%)
+
IFC_A_2
QMean=0.548
P2
:
(5 Cplx.)
RUN2
pKi= 5.8
167
8.4
1.2
103904213
4FNY
(41%)
+
I3K_A_2
QMean=0.521
P1
:
(4 Cplx.)
RUN2
pKi= 5.7
168
8.4
1.3
103904213
4FNY
(41%)
+
I3K_A_2
QMean=0.521
P1
:
(4 Cplx.)
RUN0
pKi= 5.7
169
8.4
1.9
103904293
4DCE
(41%)
+
0JF_B_4
QMean=0.528
P1
:
(3 Cplx.)
RUN0
pKi= 8.2
170
8.4
1.7
4PMP_31W
4HW7
(39%)
+
64M_A_2
QMean=0.481
P1
:
(4 Cplx.)
VALID2
-= -
171
8.4
1.1
103904300
4HW7
(39%)
+
64M_A_2
QMean=0.481
P1
:
(3 Cplx.)
RUN2
pKi= 6.7
172
8.3
1.4
103905092
1OPK
(37%)
+
P16_A_3
QMean=0.462
P1
:
(7 Cplx.)
RUN2
pKi= 6.8
173
8.3
0.9
103905027
4AOJ
(100%)
+
V4Z_C_10
QMean=0.582
P1
:
(6 Cplx.)
RUN2
pKi= 6.2
174
8.3
2.4
103904596
4AOJ
(100%)
+
V4Z_C_10
QMean=0.582
P1
:
(5 Cplx.)
RUN2
pKi= 6.9
175
8.3
1.7
103905111
4HW7
(39%)
+
64M_A_2
QMean=0.481
P2
:
(4 Cplx.)
RUN2
pKi= 5.7
176
8.3
1.5
103905092
1OPK
(37%)
+
P16_A_3
QMean=0.462
P1
:
(10 Cplx.)
RUN0
pKi= 6.8
177
8.3
2.0
103905623
3C4F
(40%)
+
C4F_A_3
QMean=0.467
P1
:
(3 Cplx.)
RUN0
pKi= 5.8
178
8.3
0.8
103904855
4AT4
(75%)
+
T6E_A_2
QMean=0.523
P2
:
(3 Cplx.)
RUN2
pKi= 5.7
179
8.3
1.5
103905250
3NW5
(41%)
+
LGX_A_2
QMean=0.498
P1
:
(9 Cplx.)
RUN2
pKi= 6
180
8.3
1.4
103904276
4HW7
(39%)
+
64M_A_2
QMean=0.481
P1
:
(4 Cplx.)
RUN0
pKi= 6.8
181
8.3
1.4
103904796
4HW7
(39%)
+
64M_A_2
QMean=0.481
P2
:
(3 Cplx.)
RUN1
pKi= 6.8
182
8.3
2.5
103905331
3DZQ
(37%)
+
IFC_A_2
QMean=0.548
P1
:
(4 Cplx.)
RUN2
pKi= 7.2
183
8.3
2.3
103905682
4FNZ
(41%)
+
NZF_A_2
QMean=0.534
P2
:
(3 Cplx.)
RUN1
pKi= 5.8
184
8.3
1.9
103905213
3V5Q
(76%)
+
0F4_A_4
QMean=0.496
P1
:
(5 Cplx.)
RUN2
pKi= 6.1
185
8.3
1.9
103904458
3DZQ
(37%)
+
IFC_A_2
QMean=0.548
P1
:
(6 Cplx.)
RUN1
pKi= 5.8
186
8.3
2.2
103904953
1OPK
(37%)
+
P16_A_3
QMean=0.462
P1
:
(5 Cplx.)
RUN0
pKi= 7.7
187
8.3
1.6
103905111
4HW7
(39%)
+
64M_A_2
QMean=0.481
P1
:
(4 Cplx.)
RUN0
pKi= 5.7
188
8.2
2.2
103905670
4HW7
(39%)
+
64M_A_2
QMean=0.481
P2
:
(4 Cplx.)
RUN0
pKi= 6.1
189
8.2
0.9
103905033
3ZOS
(45%)
+
0LI_B_7
QMean=0.538
P2
:
(3 Cplx.)
RUN1
pKi= 5.8
190
8.2
2.0
103905094
1OPK
(37%)
+
P16_A_3
QMean=0.462
P1
:
(9 Cplx.)
RUN1
pKi= 6
191
8.2
1.3
103904466
2XYN
(37%)
+
VX6_A_5
QMean=0.464
P1
:
(7 Cplx.)
RUN0
pKi= 6
192
8.2
2.3
103905670
4HW7
(39%)
+
64M_A_2
QMean=0.481
P1
:
(7 Cplx.)
RUN1
pKi= 6.1
193
8.2
2.5
103905615
3NW7
(41%)
+
LGV_A_2
QMean=0.534
P2
:
(3 Cplx.)
RUN0
pKi= 5.8
194
8.2
1.9
103904278
3ETA
(44%)
+
351_A_3
QMean=0.486
P2
:
(4 Cplx.)
RUN2
pKi= 6.8
195
8.2
2.2
103904941
3ETA
(44%)
+
351_A_3
QMean=0.486
P1
:
(4 Cplx.)
RUN0
pKi= 5.7
196
8.2
1.4
103904362
4HW7
(39%)
+
64M_A_2
QMean=0.481
P2
:
(4 Cplx.)
RUN2
pKi= 5.9
197
8.2
1.4
103904329
4HW7
(39%)
+
64M_A_2
QMean=0.481
P1
:
(7 Cplx.)
RUN1
pKi= 5.6
198
8.2
2.1
103904297
4FNZ
(41%)
+
NZF_A_2
QMean=0.534
P1
:
(4 Cplx.)
RUN0
pKi= 7.4
199
8.2
2.1
103904325
4FNZ
(41%)
+
NZF_A_2
QMean=0.534
P1
:
(4 Cplx.)
RUN1
pKi= 6.2
200
8.2
2.0
103905531
4FOB
(41%)
+
0US_A_2
QMean=0.526
P1
:
(7 Cplx.)
RUN1
pKi= 8.2
201
8.2
2.4
103904291
3ETA
(44%)
+
351_A_3
QMean=0.486
P1
:
(3 Cplx.)
RUN2
pKi= 7.1
202
8.1
2.3
103904818
4HW7
(39%)
+
64M_A_2
QMean=0.481
P1
:
(7 Cplx.)
RUN0
pKi= 5.5
203
8.1
1.6
103904644
3QQU
(41%)
+
01P_D_8
QMean=0.465
P2
:
(5 Cplx.)
RUN0
pKi= 5.6
204
8.1
1.6
103904742
4AT4
(75%)
+
T6E_A_2
QMean=0.523
P1
:
(3 Cplx.)
RUN1
pKi= 8.1
205
8.1
0.8
103904276
4AT4
(75%)
+
T6E_A_2
QMean=0.523
P1
:
(3 Cplx.)
RUN2
pKi= 6.8
206
8.1
1.5
103904603
2XB7
(41%)
+
GUI_A_2
QMean=0.527
P1
:
(3 Cplx.)
RUN2
pKi= 6.4
207
8.1
1.6
103904337
4AT4
(75%)
+
T6E_A_2
QMean=0.523
P2
:
(3 Cplx.)
RUN0
pKi= 6.8
208
8.1
2.0
103905488
2XBA
(41%)
+
571_A_2
QMean=0.497
P1
:
(4 Cplx.)
RUN0
pKi= 8.1
209
8.1
1.9
103904337
4AT4
(75%)
+
T6E_A_2
QMean=0.523
P1
:
(5 Cplx.)
RUN1
pKi= 6.8
210
8.1
2.1
103904309
4AT4
(75%)
+
T6E_A_2
QMean=0.523
P1
:
(3 Cplx.)
RUN0
pKi= 8.1
211
8.1
2.3
103905331
3DZQ
(37%)
+
IFC_A_2
QMean=0.548
P1
:
(5 Cplx.)
RUN1
pKi= 7.2
212
8.1
2.4
103905446
4HW7
(39%)
+
64M_A_2
QMean=0.481
P1
:
(4 Cplx.)
RUN0
pKi= 5.6
213
8.1
2.4
103904271
4FNZ
(41%)
+
NZF_A_2
QMean=0.534
P1
:
(3 Cplx.)
RUN1
pKi= 6.2
214
8.1
2.0
103905247
3EKK
(43%)
+
GS2_A_2
QMean=0.488
P1
:
(5 Cplx.)
RUN1
pKi= 5.9
215
8.1
2.3
103904593
2XYN
(37%)
+
VX6_A_5
QMean=0.464
P1
:
(8 Cplx.)
RUN0
pKi= 6.1
216
8.1
2.3
103904671
4HW7
(39%)
+
64M_A_2
QMean=0.481
P1
:
(4 Cplx.)
RUN1
pKi= 5.6
217
8.1
1.3
103904370
3ETA
(44%)
+
351_A_3
QMean=0.486
P2
:
(4 Cplx.)
RUN1
pKi= 5.9
218
8.0
1.8
103904740
3ETA
(44%)
+
351_A_3
QMean=0.486
P1
:
(4 Cplx.)
RUN2
pKi= 6.1
219
8.0
1.8
103904194
1OPK
(37%)
+
P16_A_3
QMean=0.462
P1
:
(4 Cplx.)
RUN0
pKi= 5.7
220
8.0
1.9
103904599
4FNZ
(41%)
+
NZF_A_2
QMean=0.534
P1
:
(5 Cplx.)
RUN1
pKi= 6.6
221
8.0
1.3
103905092
1OPK
(37%)
+
P16_A_3
QMean=0.462
P1
:
(8 Cplx.)
RUN1
pKi= 6.8
222
8.0
2.0
103904457
3DZQ
(37%)
+
IFC_A_2
QMean=0.548
P1
:
(5 Cplx.)
RUN1
pKi= 6.4
223
8.0
2.4
103904865
2XBA
(41%)
+
571_A_2
QMean=0.497
P1
:
(3 Cplx.)
RUN1
pKi= 6.4
224
8.0
1.9
103904361
1FGI
(40%)
+
SU1_A_4
QMean=0.478
P1
:
(5 Cplx.)
RUN1
pKi= 6.3
225
8.0
1.6
103905670
3ETA
(44%)
+
351_A_3
QMean=0.486
P1
:
(4 Cplx.)
RUN2
pKi= 6.1
226
8.0
2.2
103904323
4FNZ
(41%)
+
NZF_A_2
QMean=0.534
P1
:
(4 Cplx.)
RUN0
pKi= 7.8
227
8.0
1.6
103904466
2YFX
(41%)
+
VGH_A_2
QMean=0.511
P1
:
(7 Cplx.)
RUN2
pKi= 6
228
8.0
1.8
103905245
3EKK
(43%)
+
GS2_A_2
QMean=0.488
P1
:
(6 Cplx.)
RUN1
pKi= 6.3
229
8.0
2.3
103904604
2XYN
(37%)
+
VX6_A_5
QMean=0.464
P1
:
(8 Cplx.)
RUN0
pKi= 5.7
230
8.0
1.2
103904406
3EKK
(43%)
+
GS2_A_2
QMean=0.488
P1
:
(3 Cplx.)
RUN2
pKi= 6.4
231
7.9
2.4
103904953
2XYN
(37%)
+
VX6_A_5
QMean=0.464
P1
:
(4 Cplx.)
RUN2
pKi= 7.7
232
7.9
1.5
103905111
4HW7
(39%)
+
64M_A_2
QMean=0.481
P1
:
(5 Cplx.)
RUN1
pKi= 5.7
233
7.9
1.5
103904644
3QQU
(41%)
+
01P_D_8
QMean=0.465
P1
:
(7 Cplx.)
RUN2
pKi= 5.6
234
7.9
1.7
103904211
1FGI
(40%)
+
SU1_A_4
QMean=0.478
P1
:
(4 Cplx.)
RUN1
pKi= 5.8
235
7.9
1.5
103904195
1OPK
(37%)
+
P16_A_3
QMean=0.462
P2
:
(5 Cplx.)
RUN1
pKi= 6.7
236
7.9
2.2
103904592
4F64
(40%)
+
0S8_B_7
QMean=0.467
P1
:
(6 Cplx.)
RUN1
pKi= 7.1
237
7.9
1.7
103905094
4HW7
(39%)
+
64M_A_2
QMean=0.481
P1
:
(6 Cplx.)
RUN0
pKi= 6
238
7.9
1.2
103904213
4FNY
(41%)
+
I3K_A_2
QMean=0.521
P1
:
(4 Cplx.)
RUN1
pKi= 5.7
239
7.9
1.8
103905488
2XBA
(41%)
+
571_A_2
QMean=0.497
P1
:
(5 Cplx.)
RUN2
pKi= 8.1
240
7.9
1.9
103904356
2XYN
(37%)
+
VX6_A_5
QMean=0.464
P2
:
(4 Cplx.)
RUN1
pKi= 5.6
241
7.9
2.1
103904865
2XBA
(41%)
+
571_A_2
QMean=0.497
P1
:
(3 Cplx.)
RUN2
pKi= 6.4
242
7.9
1.3
103904195
1OPK
(37%)
+
P16_A_3
QMean=0.462
P1
:
(11 Cplx.)
RUN2
pKi= 6.7
243
7.9
2.0
103904796
4DCE
(41%)
+
0JF_B_4
QMean=0.528
P2
:
(3 Cplx.)
RUN2
pKi= 6.8
244
7.9
1.7
103904316
3ETA
(44%)
+
351_A_3
QMean=0.486
P2
:
(3 Cplx.)
RUN1
pKi= 7
245
7.9
1.0
103905247
2YFX
(41%)
+
VGH_A_2
QMean=0.511
P1
:
(6 Cplx.)
RUN0
pKi= 5.9
246
7.9
2.4
103904348
4AT3
(75%)
+
LTI_A_2
QMean=0.520
P1
:
(4 Cplx.)
RUN0
pKi= 5.9
247
7.9
1.1
103904286
4HW7
(39%)
+
64M_A_2
QMean=0.481
P1
:
(3 Cplx.)
RUN2
pKi= 6.6
248
7.9
1.7
103905657
2XB7
(41%)
+
GUI_A_2
QMean=0.527
P1
:
(5 Cplx.)
RUN0
pKi= 8.4
249
7.8
1.1
103904742
3ZOS
(45%)
+
0LI_B_7
QMean=0.538
P1
:
(3 Cplx.)
RUN2
pKi= 8.1
250
7.8
0.8
103905245
2YFX
(41%)
+
VGH_A_2
QMean=0.511
P1
:
(6 Cplx.)
RUN0
pKi= 6.3
251
7.8
1.1
103905250
4AOJ
(100%)
+
V4Z_C_10
QMean=0.582
P1
:
(7 Cplx.)
RUN1
pKi= 6
252
7.8
2.0
103905094
1OPK
(37%)
+
P16_A_3
QMean=0.462
P1
:
(5 Cplx.)
RUN2
pKi= 6
253
7.8
1.8
103904196
1FGI
(40%)
+
SU1_A_4
QMean=0.478
P1
:
(7 Cplx.)
RUN2
pKi= 6.3
254
7.8
2.2
103904591
3TT0
(40%)
+
07J_B_7
QMean=0.472
P2
:
(3 Cplx.)
RUN0
pKi= 6.9
255
7.8
1.5
103904194
1OPK
(37%)
+
P16_A_3
QMean=0.462
P1
:
(4 Cplx.)
RUN2
pKi= 5.7
256
7.8
1.8
103904196
1OPK
(37%)
+
P16_A_3
QMean=0.462
P2
:
(3 Cplx.)
RUN0
pKi= 6.3
257
7.8
1.3
103904210
4FNY
(41%)
+
I3K_A_2
QMean=0.521
P1
:
(4 Cplx.)
RUN1
pKi= 5.9
258
7.8
1.5
103904297
4HW7
(39%)
+
64M_A_2
QMean=0.481
P3
:
(3 Cplx.)
RUN2
pKi= 7.4
259
7.8
2.2
103904318
1OPK
(37%)
+
P16_A_3
QMean=0.462
P1
:
(4 Cplx.)
RUN0
pKi= 7.7
260
7.8
2.0
103904459
4HW7
(39%)
+
64M_A_2
QMean=0.481
P2
:
(3 Cplx.)
RUN0
pKi= 6
261
7.7
2.1
103905578
4AT4
(75%)
+
T6E_A_2
QMean=0.523
P1
:
(7 Cplx.)
RUN0
pKi= 6.3
262
7.7
1.0
103905220
3ZOS
(45%)
+
0LI_B_7
QMean=0.538
P2
:
(3 Cplx.)
RUN2
pKi= 6.9
263
7.7
1.7
103904645
3ETA
(44%)
+
351_A_3
QMean=0.486
P1
:
(3 Cplx.)
RUN2
pKi= 5.7
264
7.7
1.2
103904599
3EKK
(43%)
+
GS2_A_2
QMean=0.488
P1
:
(3 Cplx.)
RUN2
pKi= 6.6
265
7.7
1.5
103904304
1FGI
(40%)
+
SU1_A_4
QMean=0.478
P1
:
(3 Cplx.)
RUN2
pKi= 7.3
266
7.7
1.6
103904194
1OPK
(37%)
+
P16_A_3
QMean=0.462
P2
:
(4 Cplx.)
RUN1
pKi= 5.7
267
7.7
1.7
103905113
1OPK
(37%)
+
P16_A_3
QMean=0.462
P2
:
(5 Cplx.)
RUN0
pKi= 6.6
268
7.7
1.6
103904268
3ETA
(44%)
+
351_A_3
QMean=0.486
P1
:
(4 Cplx.)
RUN2
pKi= 5.6
269
7.6
2.2
103904320
4DCE
(41%)
+
0JF_B_4
QMean=0.528
P1
:
(3 Cplx.)
RUN1
pKi= 7.8
270
7.6
0.7
103904192
3ETA
(44%)
+
351_A_3
QMean=0.486
P2
:
(3 Cplx.)
RUN2
pKi= 6.8
271
7.6
1.2
103904591
2XB7
(41%)
+
GUI_A_2
QMean=0.527
P1
:
(4 Cplx.)
RUN2
pKi= 6.9
272
7.6
2.4
103904189
3NW7
(41%)
+
LGV_A_2
QMean=0.534
P1
:
(5 Cplx.)
RUN1
pKi= 6.4
273
7.6
2.4
103905682
3NW7
(41%)
+
LGV_A_2
QMean=0.534
P2
:
(3 Cplx.)
RUN0
pKi= 5.8
274
7.6
1.5
103905095
1FGI
(40%)
+
SU1_A_4
QMean=0.478
P1
:
(7 Cplx.)
RUN0
pKi= 5.9
275
7.6
2.0
103905531
2YFX
(41%)
+
VGH_A_2
QMean=0.511
P1
:
(6 Cplx.)
RUN0
pKi= 8.2
276
7.6
1.5
103905446
3DZQ
(37%)
+
IFC_A_2
QMean=0.548
P2
:
(3 Cplx.)
RUN2
pKi= 5.6
277
7.6
1.9
103904636
2XB7
(41%)
+
GUI_A_2
QMean=0.527
P1
:
(7 Cplx.)
RUN0
pKi= 6
278
7.6
0.9
103905245
2YFX
(41%)
+
VGH_A_2
QMean=0.511
P1
:
(4 Cplx.)
RUN2
pKi= 6.3
279
7.6
0.9
103904197
3ETA
(44%)
+
351_A_3
QMean=0.486
P2
:
(4 Cplx.)
RUN2
pKi= 5.7
280
7.6
2.2
103904294
4BKJ
(45%)
+
STI_A_3
QMean=0.539
P2
:
(3 Cplx.)
RUN1
pKi= 6.4
281
7.6
1.6
103904406
4AOJ
(100%)
+
V4Z_C_10
QMean=0.582
P1
:
(4 Cplx.)
RUN1
pKi= 6.4
282
7.6
1.8
103904370
3ETA
(44%)
+
351_A_3
QMean=0.486
P2
:
(3 Cplx.)
RUN2
pKi= 5.9
283
7.6
2.2
103905632
3RHX
(40%)
+
3RH_B_3
QMean=0.477
P1
:
(3 Cplx.)
RUN1
pKi= 5.8
284
7.6
1.5
103905057
3NW7
(41%)
+
LGV_A_2
QMean=0.534
P3
:
(3 Cplx.)
RUN0
pKi= 5.6
285
7.6
1.1
103904744
3V5Q
(76%)
+
0F4_A_4
QMean=0.496
P2
:
(3 Cplx.)
RUN2
pKi= 5.9
286
7.6
1.3
103905578
3EKK
(43%)
+
GS2_A_2
QMean=0.488
P2
:
(3 Cplx.)
RUN2
pKi= 6.3
287
7.5
2.1
103904294
3TT0
(40%)
+
07J_B_7
QMean=0.472
P1
:
(4 Cplx.)
RUN0
pKi= 6.4
288
7.5
2.0
103904645
3DZQ
(37%)
+
IFC_A_2
QMean=0.548
P1
:
(3 Cplx.)
RUN1
pKi= 5.7
289
7.5
1.1
103905027
3NW7
(41%)
+
LGV_A_2
QMean=0.534
P1
:
(8 Cplx.)
RUN1
pKi= 6.2
290
7.5
1.4
103905578
3EKK
(43%)
+
GS2_A_2
QMean=0.488
P1
:
(4 Cplx.)
RUN1
pKi= 6.3
291
7.5
2.1
103904906
4HW7
(39%)
+
64M_A_2
QMean=0.481
P1
:
(13 Cplx.)
RUN0
pKi= 7.2
292
7.5
2.1
103904326
4FNZ
(41%)
+
NZF_A_2
QMean=0.534
P1
:
(3 Cplx.)
RUN1
pKi= 6.8
293
7.5
1.1
103905251
4DCE
(41%)
+
0JF_B_4
QMean=0.528
P3
:
(3 Cplx.)
RUN1
pKi= 7
294
7.5
2.3
103904977
1OPK
(37%)
+
P16_A_3
QMean=0.462
P1
:
(4 Cplx.)
RUN2
pKi= 5.6
295
7.5
2.4
103904441
4FNY
(41%)
+
I3K_A_2
QMean=0.521
P1
:
(10 Cplx.)
RUN2
pKi= 5.4
296
7.5
2.2
103904324
4DCE
(41%)
+
0JF_B_4
QMean=0.528
P1
:
(3 Cplx.)
RUN1
pKi= 6.1
297
7.5
1.9
103905212
3C4F
(40%)
+
C4F_A_3
QMean=0.467
P1
:
(6 Cplx.)
RUN0
pKi= 7
298
7.5
2.4
103904278
1FGI
(40%)
+
SU1_A_4
QMean=0.478
P1
:
(4 Cplx.)
RUN0
pKi= 6.8
299
7.5
1.7
103905531
3LCT
(40%)
+
ADP_A_3
QMean=0.459
P1
:
(5 Cplx.)
RUN2
pKi= 8.2
300
7.4
1.6
103905574
3GQL
(40%)
+
GQL_C_6
QMean=0.493
P1
:
(3 Cplx.)
RUN2
pKi= 5.7
301
7.4
1.9
103904193
3NW7
(41%)
+
LGV_A_2
QMean=0.534
P2
:
(4 Cplx.)
RUN2
pKi= 6.4
302
7.4
1.4
103905247
4DCE
(41%)
+
0JF_B_4
QMean=0.528
P2
:
(3 Cplx.)
RUN2
pKi= 5.9
303
7.4
2.4
103905488
3NW7
(41%)
+
LGV_A_2
QMean=0.534
P1
:
(8 Cplx.)
RUN1
pKi= 8.1
304
7.4
1.8
103904744
4HW7
(39%)
+
64M_A_2
QMean=0.481
P1
:
(3 Cplx.)
RUN1
pKi= 5.9
305
7.4
2.3
103904451
4HW7
(39%)
+
64M_A_2
QMean=0.481
P2
:
(3 Cplx.)
RUN1
pKi= 6.3
306
7.4
2.2
103905317
3DZQ
(37%)
+
IFC_A_2
QMean=0.548
P1
:
(6 Cplx.)
RUN0
pKi= 6
307
7.4
1.5
103905095
1FGI
(40%)
+
SU1_A_4
QMean=0.478
P1
:
(5 Cplx.)
RUN2
pKi= 5.9
308
7.4
2.0
103904904
3EKK
(43%)
+
GS2_A_2
QMean=0.488
P1
:
(9 Cplx.)
RUN0
pKi= 7.2
309
7.4
1.9
103904189
1OPK
(37%)
+
P16_A_3
QMean=0.462
P3
:
(3 Cplx.)
RUN0
pKi= 6.4
310
7.4
2.0
103904356
3V5Q
(76%)
+
0F4_A_4
QMean=0.496
P1
:
(4 Cplx.)
RUN0
pKi= 5.6
311
7.4
1.2
103905657
2XBA
(41%)
+
571_A_2
QMean=0.497
P1
:
(8 Cplx.)
RUN2
pKi= 8.4
312
7.4
1.4
103905607
3QQU
(41%)
+
01P_D_8
QMean=0.465
P1
:
(7 Cplx.)
RUN1
pKi= 6.1
313
7.4
2.0
103904277
4HW7
(39%)
+
64M_A_2
QMean=0.481
P1
:
(3 Cplx.)
RUN2
pKi= 8
314
7.4
2.2
103905113
4HW7
(39%)
+
64M_A_2
QMean=0.481
P1
:
(7 Cplx.)
RUN1
pKi= 6.6
315
7.4
1.6
103904906
4AOJ
(100%)
+
V4Z_C_10
QMean=0.582
P1
:
(11 Cplx.)
RUN2
pKi= 7.2
316
7.4
1.4
103904466
3ETA
(44%)
+
351_A_3
QMean=0.486
P1
:
(6 Cplx.)
RUN1
pKi= 6
317
7.4
2.3
103904291
2YFX
(41%)
+
VGH_A_2
QMean=0.511
P1
:
(3 Cplx.)
RUN0
pKi= 7.1
318
7.4
1.6
103904904
4AOJ
(100%)
+
V4Z_C_10
QMean=0.582
P1
:
(12 Cplx.)
RUN2
pKi= 7.2
319
7.4
0.8
103905657
3NW7
(41%)
+
LGV_A_2
QMean=0.534
P1
:
(5 Cplx.)
RUN1
pKi= 8.4
320
7.3
1.7
103904272
4FNZ
(41%)
+
NZF_A_2
QMean=0.534
P2
:
(3 Cplx.)
RUN1
pKi= 7.2
321
7.3
1.8
103904308
4FOB
(41%)
+
0US_A_2
QMean=0.526
P1
:
(3 Cplx.)
RUN1
pKi= 7.7
322
7.3
2.2
103904341
4FNZ
(41%)
+
NZF_A_2
QMean=0.534
P2
:
(3 Cplx.)
RUN1
pKi= 6.9
323
7.3
1.8
103904684
2OJ9
(41%)
+
BMI_B_2
QMean=0.497
P1
:
(6 Cplx.)
RUN0
pKi= 6.6
324
7.3
2.0
103904322
4DCE
(41%)
+
0JF_B_4
QMean=0.528
P1
:
(3 Cplx.)
RUN1
pKi= 7.1
325
7.3
2.0
103904603
2XB7
(41%)
+
GUI_A_2
QMean=0.527
P1
:
(3 Cplx.)
RUN1
pKi= 6.4
326
7.3
1.9
103904313
2XBA
(41%)
+
571_A_2
QMean=0.497
P1
:
(3 Cplx.)
RUN2
pKi= 8.1
327
7.3
2.2
103905219
3TT0
(40%)
+
07J_B_7
QMean=0.472
P1
:
(4 Cplx.)
RUN0
pKi= 8.5
328
7.3
1.7
103904189
1OPK
(37%)
+
P16_A_3
QMean=0.462
P3
:
(3 Cplx.)
RUN2
pKi= 6.4
329
7.3
2.2
103904275
1OPK
(37%)
+
P16_A_3
QMean=0.462
P2
:
(3 Cplx.)
RUN0
pKi= 6.5
330
7.2
2.0
103904925
1OPK
(37%)
+
P16_A_3
QMean=0.462
P1
:
(8 Cplx.)
RUN1
pKi= 5.7
331
7.2
1.7
103904209
3ZOS
(45%)
+
0LI_B_7
QMean=0.538
P1
:
(6 Cplx.)
RUN1
pKi= 6.4
332
7.2
1.6
103904196
1OPK
(37%)
+
P16_A_3
QMean=0.462
P2
:
(3 Cplx.)
RUN1
pKi= 6.3
333
7.2
1.9
103904318
4FOB
(41%)
+
0US_A_2
QMean=0.526
P2
:
(3 Cplx.)
RUN2
pKi= 7.7
334
7.2
1.8
103904211
4FNY
(41%)
+
I3K_A_2
QMean=0.521
P1
:
(6 Cplx.)
RUN0
pKi= 5.8
335
7.2
1.4
103904502
1OPK
(37%)
+
P16_A_3
QMean=0.462
P1
:
(5 Cplx.)
RUN0
pKi= 6
336
7.2
1.7
103904272
2XBA
(41%)
+
571_A_2
QMean=0.497
P1
:
(3 Cplx.)
RUN2
pKi= 7.2
337
7.2
1.6
103904203
4HW7
(39%)
+
64M_A_2
QMean=0.481
P1
:
(4 Cplx.)
RUN2
pKi= 6.4
338
7.2
1.6
103904904
4AOJ
(100%)
+
V4Z_C_10
QMean=0.582
P1
:
(12 Cplx.)
RUN1
pKi= 7.2
339
7.2
2.3
103904925
1OPK
(37%)
+
P16_A_3
QMean=0.462
P1
:
(8 Cplx.)
RUN0
pKi= 5.7
340
7.2
2.1
103904925
1OPK
(37%)
+
P16_A_3
QMean=0.462
P1
:
(10 Cplx.)
RUN2
pKi= 5.7
341
7.2
1.6
103904906
4AOJ
(100%)
+
V4Z_C_10
QMean=0.582
P1
:
(12 Cplx.)
RUN1
pKi= 7.2
342
7.2
1.9
103904953
1OPK
(37%)
+
P16_A_3
QMean=0.462
P2
:
(3 Cplx.)
RUN1
pKi= 7.7
343
7.2
2.1
103905684
4DCE
(41%)
+
0JF_B_4
QMean=0.528
P3
:
(3 Cplx.)
RUN1
pKi= 6.4
344
7.2
1.9
103904977
1OPK
(37%)
+
P16_A_3
QMean=0.462
P1
:
(5 Cplx.)
RUN1
pKi= 5.6
345
7.2
2.3
103905429
3NW7
(41%)
+
LGV_A_2
QMean=0.534
P1
:
(4 Cplx.)
RUN2
pKi= 6.4
346
7.2
2.0
103905004
2XYN
(37%)
+
VX6_A_5
QMean=0.464
P1
:
(5 Cplx.)
RUN0
pKi= 5.8
347
7.2
1.4
103905574
4FNY
(41%)
+
I3K_A_2
QMean=0.521
P2
:
(3 Cplx.)
RUN1
pKi= 5.7
348
7.2
2.1
103905429
4HW7
(39%)
+
64M_A_2
QMean=0.481
P1
:
(6 Cplx.)
RUN1
pKi= 6.4
349
7.1
1.1
103904818
4AOJ
(100%)
+
V4Z_C_10
QMean=0.582
P1
:
(5 Cplx.)
RUN1
pKi= 5.5
350
7.1
2.1
103904636
4AOJ
(100%)
+
V4Z_C_10
QMean=0.582
P2
:
(3 Cplx.)
RUN2
pKi= 6
351
7.1
2.2
103904332
3GQL
(40%)
+
GQL_C_6
QMean=0.493
P1
:
(3 Cplx.)
RUN2
pKi= 7.1
352
7.1
2.5
103905317
3V5Q
(76%)
+
0F4_A_4
QMean=0.496
P1
:
(3 Cplx.)
RUN2
pKi= 6
353
7.1
1.4
103904502
1OPK
(37%)
+
P16_A_3
QMean=0.462
P2
:
(4 Cplx.)
RUN2
pKi= 6
354
7.1
2.0
103904505
3ETA
(44%)
+
351_A_3
QMean=0.486
P3
:
(3 Cplx.)
RUN1
pKi= 5.8
355
7.1
2.0
103905623
4HW7
(39%)
+
64M_A_2
QMean=0.481
P1
:
(4 Cplx.)
RUN1
pKi= 5.8
356
7.1
1.3
103905113
1OPK
(37%)
+
P16_A_3
QMean=0.462
P1
:
(8 Cplx.)
RUN2
pKi= 6.6
357
7.0
2.0
103905668
3C4F
(40%)
+
C4F_A_3
QMean=0.467
P2
:
(3 Cplx.)
RUN2
pKi= 6.7
358
7.0
1.4
103905095
4AT4
(75%)
+
T6E_A_2
QMean=0.523
P2
:
(5 Cplx.)
RUN1
pKi= 5.9
359
7.0
2.1
103904268
4F64
(40%)
+
0S8_B_7
QMean=0.467
P1
:
(4 Cplx.)
RUN0
pKi= 5.6
360
7.0
2.0
103904604
1OPK
(37%)
+
P16_A_3
QMean=0.462
P1
:
(5 Cplx.)
RUN2
pKi= 5.7
361
7.0
1.6
4PMT_31Y
4AOJ
(100%)
+
V4Z_C_10
QMean=0.582
P1
:
(3 Cplx.)
VALID2
-= -
362
7.0
1.8
103905326
3ETA
(44%)
+
351_A_3
QMean=0.486
P1
:
(4 Cplx.)
RUN1
pKi= 5
363
7.0
1.8
103905446
1FGI
(40%)
+
SU1_A_4
QMean=0.478
P2
:
(4 Cplx.)
RUN1
pKi= 5.6
364
7.0
1.9
103905200
4HW7
(39%)
+
64M_A_2
QMean=0.481
P1
:
(6 Cplx.)
RUN0
pKi= 5.2
365
7.0
0.7
103905648
2XYN
(37%)
+
VX6_A_5
QMean=0.464
P1
:
(3 Cplx.)
RUN2
pKi= 6.5
366
7.0
2.2
103905215
4F65
(40%)
+
0S9_A_10
QMean=0.448
P2
:
(3 Cplx.)
RUN0
pKi= 5.8
367
7.0
2.0
103904740
3NW6
(41%)
+
LGW_A_2
QMean=0.498
P1
:
(5 Cplx.)
RUN1
pKi= 6.1
368
7.0
1.9
103904591
4DCE
(41%)
+
0JF_B_4
QMean=0.528
P3
:
(3 Cplx.)
RUN1
pKi= 6.9
369
7.0
2.1
103904684
4AOJ
(100%)
+
V4Z_C_10
QMean=0.582
P1
:
(8 Cplx.)
RUN1
pKi= 6.6
370
7.0
0.7
103905213
4DCE
(41%)
+
0JF_B_4
QMean=0.528
P1
:
(4 Cplx.)
RUN1
pKi= 6.1
371
7.0
1.6
103904596
3I81
(41%)
+
EBI_A_2
QMean=0.511
P2
:
(3 Cplx.)
RUN1
pKi= 6.9
372
7.0
2.0
103904941
2XBA
(41%)
+
571_A_2
QMean=0.497
P2
:
(3 Cplx.)
RUN1
pKi= 5.7
373
6.9
1.5
103905558
3TT0
(40%)
+
07J_B_7
QMean=0.472
P1
:
(4 Cplx.)
RUN0
pKi= 7.2
374
6.9
2.3
103904861
3QQU
(41%)
+
01P_D_8
QMean=0.465
P1
:
(5 Cplx.)
RUN0
pKi= 6.3
375
6.9
1.8
103904913
4BKJ
(45%)
+
STI_A_3
QMean=0.539
P3
:
(3 Cplx.)
RUN1
pKi= 6.1
376
6.9
1.6
103904192
1OPK
(37%)
+
P16_A_3
QMean=0.462
P1
:
(3 Cplx.)
RUN1
pKi= 6.8
377
6.9
1.4
103905200
3C4F
(40%)
+
C4F_A_3
QMean=0.467
P1
:
(9 Cplx.)
RUN2
pKi= 5.2
378
6.9
1.3
103905215
4AOJ
(100%)
+
V4Z_C_10
QMean=0.582
P1
:
(3 Cplx.)
RUN2
pKi= 5.8
379
6.9
2.2
103904684
4AOJ
(100%)
+
V4Z_C_10
QMean=0.582
P1
:
(8 Cplx.)
RUN2
pKi= 6.6
380
6.9
2.3
103904370
3C4F
(40%)
+
C4F_A_3
QMean=0.467
P1
:
(4 Cplx.)
RUN0
pKi= 5.9
381
6.9
1.5
103904947
4HW7
(39%)
+
64M_A_2
QMean=0.481
P1
:
(5 Cplx.)
RUN2
pKi= 5.9
382
6.9
1.7
103904818
3CBL
(41%)
+
STU_A_3
QMean=0.492
P2
:
(4 Cplx.)
RUN2
pKi= 5.5
383
6.9
1.8
103905112
4HW7
(39%)
+
64M_A_2
QMean=0.481
P1
:
(8 Cplx.)
RUN0
pKi= 6.6
384
6.9
1.8
103905668
3C4F
(40%)
+
C4F_A_3
QMean=0.467
P2
:
(4 Cplx.)
RUN1
pKi= 6.7
385
6.9
1.9
103904285
1OPK
(37%)
+
P16_A_3
QMean=0.462
P1
:
(3 Cplx.)
RUN0
pKi= 7
386
6.9
2.2
103905075
4FNZ
(41%)
+
NZF_A_2
QMean=0.534
P1
:
(3 Cplx.)
RUN1
pKi= 5.4
387
6.8
2.3
103904193
4HW7
(39%)
+
64M_A_2
QMean=0.481
P1
:
(4 Cplx.)
RUN1
pKi= 6.4
388
6.8
2.2
103904459
3QQU
(41%)
+
01P_D_8
QMean=0.465
P1
:
(5 Cplx.)
RUN1
pKi= 6
389
6.8
2.3
103904197
4AOJ
(100%)
+
V4Z_C_10
QMean=0.582
P1
:
(5 Cplx.)
RUN1
pKi= 5.7
390
6.8
1.9
103905615
3NW5
(41%)
+
LGX_A_2
QMean=0.498
P1
:
(3 Cplx.)
RUN1
pKi= 5.8
391
6.8
2.1
103905109
1FGI
(40%)
+
SU1_A_4
QMean=0.478
P1
:
(6 Cplx.)
RUN0
pKi= 5.9
392
6.8
2.1
103905004
3QQU
(41%)
+
01P_D_8
QMean=0.465
P1
:
(7 Cplx.)
RUN2
pKi= 5.8
393
6.8
1.2
103904941
4FOB
(41%)
+
0US_A_2
QMean=0.526
P1
:
(3 Cplx.)
RUN2
pKi= 5.7
394
6.8
2.1
103904862
1OPK
(37%)
+
P16_A_3
QMean=0.462
P1
:
(5 Cplx.)
RUN0
pKi= 6.3
395
6.8
1.5
103905275
1FGI
(40%)
+
SU1_A_4
QMean=0.478
P1
:
(3 Cplx.)
RUN0
pKi= 4.1
396
6.8
2.4
103904645
2XBA
(41%)
+
571_A_2
QMean=0.497
P1
:
(3 Cplx.)
RUN0
pKi= 5.7
397
6.8
1.6
103905406
4AOJ
(100%)
+
V4Z_C_10
QMean=0.582
P2
:
(3 Cplx.)
RUN1
pKi= 6.1
398
6.8
2.1
103904348
1FGI
(40%)
+
SU1_A_4
QMean=0.478
P1
:
(7 Cplx.)
RUN1
pKi= 5.9
399
6.8
1.7
103905558
3QQU
(41%)
+
01P_D_8
QMean=0.465
P2
:
(4 Cplx.)
RUN2
pKi= 7.2
400
6.7
2.1
103904284
2XBA
(41%)
+
571_A_2
QMean=0.497
P1
:
(4 Cplx.)
RUN0
pKi= 5.8
401
6.7
1.8
103905238
4HW7
(39%)
+
64M_A_2
QMean=0.481
P1
:
(7 Cplx.)
RUN0
pKi= 6.5
402
6.7
2.0
103905112
4HW7
(39%)
+
64M_A_2
QMean=0.481
P1
:
(13 Cplx.)
RUN1
pKi= 6.6
403
6.7
1.8
103904595
3EKK
(43%)
+
GS2_A_2
QMean=0.488
P1
:
(7 Cplx.)
RUN1
pKi= 7.3
404
6.7
1.2
103904610
3QQU
(41%)
+
01P_D_8
QMean=0.465
P1
:
(9 Cplx.)
RUN2
pKi= 5.7
405
6.7
1.6
103904947
4HW7
(39%)
+
64M_A_2
QMean=0.481
P4
:
(4 Cplx.)
RUN1
pKi= 5.9
406
6.7
1.3
103904210
1OPK
(37%)
+
P16_A_3
QMean=0.462
P1
:
(4 Cplx.)
RUN2
pKi= 5.9
407
6.7
1.5
103904207
2XYN
(37%)
+
VX6_A_5
QMean=0.464
P1
:
(8 Cplx.)
RUN0
pKi= 5.6
408
6.7
1.2
103904610
3QQU
(41%)
+
01P_D_8
QMean=0.465
P1
:
(7 Cplx.)
RUN1
pKi= 5.7
409
6.7
0.9
103905110
1FGI
(40%)
+
SU1_A_4
QMean=0.478
P3
:
(4 Cplx.)
RUN2
pKi= 5.7
410
6.7
2.1
103905238
4HW7
(39%)
+
64M_A_2
QMean=0.481
P1
:
(12 Cplx.)
RUN1
pKi= 6.5
411
6.7
1.2
103904636
2XB7
(41%)
+
GUI_A_2
QMean=0.527
P2
:
(3 Cplx.)
RUN1
pKi= 6
412
6.7
1.8
103905275
1FGI
(40%)
+
SU1_A_4
QMean=0.478
P1
:
(3 Cplx.)
RUN1
pKi= 4.1
413
6.7
1.5
103904207
2XYN
(37%)
+
VX6_A_5
QMean=0.464
P2
:
(6 Cplx.)
RUN1
pKi= 5.6
414
6.7
2.3
103905406
4AOJ
(100%)
+
V4Z_C_10
QMean=0.582
P1
:
(6 Cplx.)
RUN0
pKi= 6.1
415
6.7
1.8
103905275
1FGI
(40%)
+
SU1_A_4
QMean=0.478
P2
:
(4 Cplx.)
RUN2
pKi= 4.1
416
6.7
2.1
103904332
3NW7
(41%)
+
LGV_A_2
QMean=0.534
P2
:
(4 Cplx.)
RUN1
pKi= 7.1
417
6.7
1.9
103905230
3C4F
(40%)
+
C4F_A_3
QMean=0.467
P2
:
(3 Cplx.)
RUN0
pKi= 4.2
418
6.6
2.1
103904451
4DCE
(41%)
+
0JF_B_4
QMean=0.528
P2
:
(3 Cplx.)
RUN2
pKi= 6.3
419
6.6
1.2
103905004
2XB7
(41%)
+
GUI_A_2
QMean=0.527
P2
:
(3 Cplx.)
RUN1
pKi= 5.8
420
6.6
1.9
103904789
4DCE
(41%)
+
0JF_B_4
QMean=0.528
P1
:
(10 Cplx.)
RUN0
pKi= 6.2
421
6.6
2.1
103905112
4HW7
(39%)
+
64M_A_2
QMean=0.481
P1
:
(12 Cplx.)
RUN2
pKi= 6.6
422
6.6
2.0
103905110
1OPK
(37%)
+
P16_A_3
QMean=0.462
P3
:
(4 Cplx.)
RUN0
pKi= 5.7
423
6.6
1.4
103904502
4FNY
(41%)
+
I3K_A_2
QMean=0.521
P1
:
(7 Cplx.)
RUN1
pKi= 6
424
6.6
1.5
103904404
1FGI
(40%)
+
SU1_A_4
QMean=0.478
P1
:
(3 Cplx.)
RUN1
pKi= 5.6
425
6.6
1.8
103905008
1FGI
(40%)
+
SU1_A_4
QMean=0.478
P1
:
(8 Cplx.)
RUN0
pKi= 4.2
426
6.6
2.3
103904947
3C4F
(40%)
+
C4F_A_3
QMean=0.467
P1
:
(7 Cplx.)
RUN0
pKi= 5.9
427
6.6
1.4
103905110
3C4F
(40%)
+
C4F_A_3
QMean=0.467
P1
:
(6 Cplx.)
RUN1
pKi= 5.7
428
6.6
1.5
103904356
4FNZ
(41%)
+
NZF_A_2
QMean=0.534
P1
:
(3 Cplx.)
RUN2
pKi= 5.6
429
6.6
1.9
103905368
3ETA
(44%)
+
351_A_3
QMean=0.486
P2
:
(4 Cplx.)
RUN1
pKi= 6.2
430
6.6
2.4
103905604
4FNY
(41%)
+
I3K_A_2
QMean=0.521
P1
:
(9 Cplx.)
RUN2
pKi= 6.4
431
6.6
2.1
103904868
4AOJ
(100%)
+
V4Z_C_10
QMean=0.582
P1
:
(6 Cplx.)
RUN0
pKi= 5.6
432
6.5
1.7
103905008
1FGI
(40%)
+
SU1_A_4
QMean=0.478
P1
:
(7 Cplx.)
RUN2
pKi= 4.2
433
6.5
1.8
103905087
4BKJ
(45%)
+
STI_A_3
QMean=0.539
P3
:
(3 Cplx.)
RUN2
pKi= 6
434
6.5
2.2
103904337
1FGI
(40%)
+
SU1_A_4
QMean=0.478
P1
:
(3 Cplx.)
RUN2
pKi= 6.8
435
6.5
1.3
103905558
3NW5
(41%)
+
LGX_A_2
QMean=0.498
P1
:
(4 Cplx.)
RUN1
pKi= 7.2
436
6.5
2.4
103905215
3RHX
(40%)
+
3RH_B_3
QMean=0.477
P1
:
(4 Cplx.)
RUN1
pKi= 5.8
437
6.5
1.2
103904644
3NW5
(41%)
+
LGX_A_2
QMean=0.498
P1
:
(5 Cplx.)
RUN1
pKi= 5.6
438
6.5
2.1
103905238
4HW7
(39%)
+
64M_A_2
QMean=0.481
P1
:
(10 Cplx.)
RUN2
pKi= 6.5
439
6.5
1.9
103905585
3NW6
(41%)
+
LGW_A_2
QMean=0.498
P2
:
(4 Cplx.)
RUN0
pKi= 6.4
440
6.4
2.2
103905680
3EKK
(43%)
+
GS2_A_2
QMean=0.488
P2
:
(3 Cplx.)
RUN0
pKi= 6.1
441
6.4
1.7
103904268
3RHX
(40%)
+
3RH_B_3
QMean=0.477
P2
:
(3 Cplx.)
RUN1
pKi= 5.6
442
6.4
1.5
103905057
3NW7
(41%)
+
LGV_A_2
QMean=0.534
P2
:
(4 Cplx.)
RUN2
pKi= 5.6
443
6.4
1.7
103905327
4HW7
(39%)
+
64M_A_2
QMean=0.481
P1
:
(10 Cplx.)
RUN0
pKi= 4.2
444
6.4
2.5
103904292
2YFX
(41%)
+
VGH_A_2
QMean=0.511
P1
:
(4 Cplx.)
RUN2
pKi= 8
445
6.4
1.8
103905008
1FGI
(40%)
+
SU1_A_4
QMean=0.478
P1
:
(7 Cplx.)
RUN1
pKi= 4.2
446
6.4
2.3
103904348
3TT0
(40%)
+
07J_B_7
QMean=0.472
P1
:
(5 Cplx.)
RUN2
pKi= 5.9
447
6.3
1.5
103904214
4DCE
(41%)
+
0JF_B_4
QMean=0.528
P1
:
(8 Cplx.)
RUN0
pKi= 6.2
448
6.3
1.8
103905230
3C4F
(40%)
+
C4F_A_3
QMean=0.467
P2
:
(3 Cplx.)
RUN1
pKi= 4.2
449
6.3
0.7
103905109
1FGI
(40%)
+
SU1_A_4
QMean=0.478
P1
:
(4 Cplx.)
RUN1
pKi= 5.9
450
6.3
1.7
103904214
4FOB
(41%)
+
0US_A_2
QMean=0.526
P1
:
(8 Cplx.)
RUN1
pKi= 6.2
451
6.3
2.2
103904203
3RHX
(40%)
+
3RH_B_3
QMean=0.477
P2
:
(3 Cplx.)
RUN0
pKi= 6.4
452
6.3
2.1
103905585
3NW6
(41%)
+
LGW_A_2
QMean=0.498
P2
:
(3 Cplx.)
RUN1
pKi= 6.4
453
6.3
2.1
103905680
3EKK
(43%)
+
GS2_A_2
QMean=0.488
P3
:
(3 Cplx.)
RUN2
pKi= 6.1
454
6.3
2.4
103904579
1OPK
(37%)
+
P16_A_3
QMean=0.462
P2
:
(4 Cplx.)
RUN0
pKi= 4.1
455
6.3
2.5
4PMM_31V
3I81
(41%)
+
EBI_A_2
QMean=0.511
P1
:
(3 Cplx.)
VALID0
-= -
456
6.3
2.1
103904568
1OPK
(37%)
+
P16_A_3
QMean=0.462
P2
:
(4 Cplx.)
RUN1
pKi= 4.2
457
6.3
1.3
103904593
3QQU
(41%)
+
01P_D_8
QMean=0.465
P2
:
(4 Cplx.)
RUN1
pKi= 6.1
458
6.3
2.2
103904202
4HW7
(39%)
+
64M_A_2
QMean=0.481
P1
:
(6 Cplx.)
RUN2
pKi= 6.2
459
6.2
1.6
103904789
1OPK
(37%)
+
P16_A_3
QMean=0.462
P2
:
(8 Cplx.)
RUN1
pKi= 6.2
460
6.2
2.1
103904316
3NW7
(41%)
+
LGV_A_2
QMean=0.534
P1
:
(3 Cplx.)
RUN2
pKi= 7
461
6.2
1.8
103904868
4DCE
(41%)
+
0JF_B_4
QMean=0.528
P1
:
(6 Cplx.)
RUN2
pKi= 5.6
462
6.2
1.8
103904880
4DCE
(41%)
+
0JF_B_4
QMean=0.528
P1
:
(5 Cplx.)
RUN2
pKi= 5.7
463
6.2
0.8
103905109
1FGI
(40%)
+
SU1_A_4
QMean=0.478
P1
:
(6 Cplx.)
RUN2
pKi= 5.9
464
6.2
1.8
103905029
1OPK
(37%)
+
P16_A_3
QMean=0.462
P1
:
(11 Cplx.)
RUN0
pKi= 4.3
465
6.2
1.8
103904482
4AOJ
(100%)
+
V4Z_C_10
QMean=0.582
P1
:
(8 Cplx.)
RUN0
pKi= 5.9
466
6.2
1.7
103904207
2YFX
(41%)
+
VGH_A_2
QMean=0.511
P3
:
(3 Cplx.)
RUN2
pKi= 5.6
467
6.2
2.1
103905401
1OPK
(37%)
+
P16_A_3
QMean=0.462
P1
:
(10 Cplx.)
RUN1
pKi= 4.3
468
6.2
2.4
103904568
4HW7
(39%)
+
64M_A_2
QMean=0.481
P1
:
(5 Cplx.)
RUN2
pKi= 4.2
469
6.2
2.5
103904284
1FGI
(40%)
+
SU1_A_4
QMean=0.478
P1
:
(3 Cplx.)
RUN1
pKi= 5.8
470
6.2
2.3
103904862
2YFX
(41%)
+
VGH_A_2
QMean=0.511
P2
:
(4 Cplx.)
RUN1
pKi= 6.3
471
6.2
1.4
103905608
1FGI
(40%)
+
SU1_A_4
QMean=0.478
P1
:
(3 Cplx.)
RUN1
pKi= 6.1
472
6.1
2.3
103904913
3ZOS
(45%)
+
0LI_B_7
QMean=0.538
P1
:
(3 Cplx.)
RUN2
pKi= 6.1
473
6.1
1.9
103905639
1OPK
(37%)
+
P16_A_3
QMean=0.462
P1
:
(4 Cplx.)
RUN0
pKi= 7
474
6.1
1.6
103905114
1FGI
(40%)
+
SU1_A_4
QMean=0.478
P3
:
(3 Cplx.)
RUN0
pKi= 5.8
475
6.1
2.0
103904459
3TT0
(40%)
+
07J_B_7
QMean=0.472
P1
:
(4 Cplx.)
RUN2
pKi= 6
476
6.1
1.8
103904482
3EKK
(43%)
+
GS2_A_2
QMean=0.488
P1
:
(8 Cplx.)
RUN1
pKi= 5.9
477
6.1
1.6
103905212
1OPK
(37%)
+
P16_A_3
QMean=0.462
P1
:
(6 Cplx.)
RUN2
pKi= 7
478
6.1
2.0
103905456
3C4F
(40%)
+
C4F_A_3
QMean=0.467
P1
:
(7 Cplx.)
RUN0
pKi= 4.8
479
6.0
0.7
103904593
2XB7
(41%)
+
GUI_A_2
QMean=0.527
P2
:
(3 Cplx.)
RUN2
pKi= 6.1
480
6.0
1.4
103905327
4HW7
(39%)
+
64M_A_2
QMean=0.481
P1
:
(9 Cplx.)
RUN1
pKi= 4.2
481
6.0
1.8
103904214
2YFX
(41%)
+
VGH_A_2
QMean=0.511
P2
:
(4 Cplx.)
RUN2
pKi= 6.2
482
6.0
1.5
103905029
1OPK
(37%)
+
P16_A_3
QMean=0.462
P1
:
(7 Cplx.)
RUN2
pKi= 4.3
483
6.0
0.8
103905212
3ETA
(44%)
+
351_A_3
QMean=0.486
P2
:
(4 Cplx.)
RUN1
pKi= 7
484
6.0
2.2
103905295
3C4F
(40%)
+
C4F_A_3
QMean=0.467
P1
:
(5 Cplx.)
RUN1
pKi= 4.1
485
6.0
1.9
103904482
3EKK
(43%)
+
GS2_A_2
QMean=0.488
P2
:
(4 Cplx.)
RUN2
pKi= 5.9
486
5.9
2.0
103905675
1OPK
(37%)
+
P16_A_3
QMean=0.462
P1
:
(9 Cplx.)
RUN0
pKi= 5.9
487
5.9
1.4
103905089
3QQU
(41%)
+
01P_D_8
QMean=0.465
P1
:
(3 Cplx.)
RUN0
pKi= 4.5
488
5.9
1.9
103905503
4DCE
(41%)
+
0JF_B_4
QMean=0.528
P1
:
(5 Cplx.)
RUN1
pKi= 6.3
489
5.9
2.4
103905401
3C4F
(40%)
+
C4F_A_3
QMean=0.467
P1
:
(10 Cplx.)
RUN0
pKi= 4.3
490
5.9
1.7
103905317
3DZQ
(37%)
+
IFC_A_2
QMean=0.548
P1
:
(3 Cplx.)
RUN1
pKi= 6
491
5.9
1.4
103905114
1FGI
(40%)
+
SU1_A_4
QMean=0.478
P2
:
(4 Cplx.)
RUN1
pKi= 5.8
492
5.8
0.8
103905116
1FGI
(40%)
+
SU1_A_4
QMean=0.478
P1
:
(5 Cplx.)
RUN0
pKi= 5.7
493
5.8
1.3
103905456
4AT4
(75%)
+
T6E_A_2
QMean=0.523
P1
:
(6 Cplx.)
RUN2
pKi= 4.8
494
5.8
2.2
103904871
4FNY
(41%)
+
I3K_A_2
QMean=0.521
P2
:
(3 Cplx.)
RUN1
pKi= 5.8
495
5.8
1.7
103905200
3C4F
(40%)
+
C4F_A_3
QMean=0.467
P1
:
(6 Cplx.)
RUN1
pKi= 5.2
496
5.8
1.5
103904579
1OPK
(37%)
+
P16_A_3
QMean=0.462
P1
:
(3 Cplx.)
RUN2
pKi= 4.1
497
5.8
1.6
103905675
2XB7
(41%)
+
GUI_A_2
QMean=0.527
P1
:
(7 Cplx.)
RUN2
pKi= 5.9
498
5.8
0.5
103905116
1FGI
(40%)
+
SU1_A_4
QMean=0.478
P2
:
(3 Cplx.)
RUN2
pKi= 5.7
499
5.8
1.1
103905456
1OPK
(37%)
+
P16_A_3
QMean=0.462
P1
:
(5 Cplx.)
RUN1
pKi= 4.8
500
5.8
2.5
103904453
1OPK
(37%)
+
P16_A_3
QMean=0.462
P1
:
(5 Cplx.)
RUN1
pKi= 5
501
5.8
1.3
103905401
3C4F
(40%)
+
C4F_A_3
QMean=0.467
P1
:
(8 Cplx.)
RUN2
pKi= 4.3
502
5.8
1.9
103904871
2XYN
(37%)
+
VX6_A_5
QMean=0.464
P1
:
(6 Cplx.)
RUN2
pKi= 5.8
503
5.7
1.1
103905029
3NW7
(41%)
+
LGV_A_2
QMean=0.534
P2
:
(5 Cplx.)
RUN1
pKi= 4.3
504
5.7
1.5
103904854
3C4F
(40%)
+
C4F_A_3
QMean=0.467
P1
:
(6 Cplx.)
RUN1
pKi= 5.3
505
5.7
1.5
103905295
3NW7
(41%)
+
LGV_A_2
QMean=0.534
P1
:
(5 Cplx.)
RUN2
pKi= 4.1
506
5.7
2.2
103905117
3ZOS
(45%)
+
0LI_B_7
QMean=0.538
P1
:
(5 Cplx.)
RUN1
pKi= 6.9
507
5.7
2.3
103904976
3C4F
(40%)
+
C4F_A_3
QMean=0.467
P1
:
(4 Cplx.)
RUN0
pKi= 4.2
508
5.7
2.1
103904310
4FOB
(41%)
+
0US_A_2
QMean=0.526
P1
:
(4 Cplx.)
RUN2
pKi= 7.7
509
5.7
1.6
103904854
3C4F
(40%)
+
C4F_A_3
QMean=0.467
P1
:
(12 Cplx.)
RUN0
pKi= 5.3
510
5.7
2.0
103904802
4BKJ
(45%)
+
STI_A_3
QMean=0.539
P1
:
(4 Cplx.)
RUN2
pKi= 4.5
511
5.7
1.5
103904579
1OPK
(37%)
+
P16_A_3
QMean=0.462
P2
:
(3 Cplx.)
RUN1
pKi= 4.1
512
5.7
1.6
103905639
3NW7
(41%)
+
LGV_A_2
QMean=0.534
P1
:
(5 Cplx.)
RUN2
pKi= 7
513
5.6
1.1
103905117
1FGI
(40%)
+
SU1_A_4
QMean=0.478
P3
:
(4 Cplx.)
RUN2
pKi= 6.9
514
5.6
1.7
103905675
4AOJ
(100%)
+
V4Z_C_10
QMean=0.582
P2
:
(4 Cplx.)
RUN1
pKi= 5.9
515
5.6
1.8
103905114
1OPK
(37%)
+
P16_A_3
QMean=0.462
P2
:
(3 Cplx.)
RUN2
pKi= 5.8
516
5.6
1.4
103904802
3C4F
(40%)
+
C4F_A_3
QMean=0.467
P2
:
(3 Cplx.)
RUN1
pKi= 4.5
517
5.6
0.8
103904604
2XB7
(41%)
+
GUI_A_2
QMean=0.527
P2
:
(3 Cplx.)
RUN1
pKi= 5.7
518
5.6
0.6
103905116
1FGI
(40%)
+
SU1_A_4
QMean=0.478
P2
:
(5 Cplx.)
RUN1
pKi= 5.7
519
5.6
1.8
103905327
3ZOS
(45%)
+
0LI_B_7
QMean=0.538
P1
:
(9 Cplx.)
RUN2
pKi= 4.2
520
5.6
2.1
103904789
3EKK
(43%)
+
GS2_A_2
QMean=0.488
P2
:
(6 Cplx.)
RUN2
pKi= 6.2
521
5.5
2.3
103904862
3NW5
(41%)
+
LGX_A_2
QMean=0.498
P3
:
(3 Cplx.)
RUN2
pKi= 6.3
522
5.4
2.0
103904203
4AOJ
(100%)
+
V4Z_C_10
QMean=0.582
P1
:
(3 Cplx.)
RUN1
pKi= 6.4
523
5.4
1.4
103904211
1OPK
(37%)
+
P16_A_3
QMean=0.462
P3
:
(3 Cplx.)
RUN2
pKi= 5.8
524
5.4
0.6
103904854
4AT4
(75%)
+
T6E_A_2
QMean=0.523
P1
:
(7 Cplx.)
RUN2
pKi= 5.3
525
5.4
1.9
103904802
2YFX
(41%)
+
VGH_A_2
QMean=0.511
P3
:
(3 Cplx.)
RUN0
pKi= 4.5
526
5.4
1.5
103905235
1OPK
(37%)
+
P16_A_3
QMean=0.462
P1
:
(4 Cplx.)
RUN1
pKi= 5.3
527
5.3
2.4
103905636
4FOB
(41%)
+
0US_A_2
QMean=0.526
P2
:
(5 Cplx.)
RUN1
pKi= 6.1
528
5.3
2.3
103905230
3NW5
(41%)
+
LGX_A_2
QMean=0.498
P2
:
(3 Cplx.)
RUN2
pKi= 4.2
529
5.2
1.4
103904704
3EKK
(43%)
+
GS2_A_2
QMean=0.488
P2
:
(4 Cplx.)
RUN1
pKi= 6.5
530
5.2
2.0
103904202
2XBA
(41%)
+
571_A_2
QMean=0.497
P2
:
(4 Cplx.)
RUN1
pKi= 6.2
531
5.1
2.2
103905235
4HW7
(39%)
+
64M_A_2
QMean=0.481
P2
:
(4 Cplx.)
RUN2
pKi= 5.3
532
5.1
2.2
103905551
4AOJ
(100%)
+
V4Z_C_10
QMean=0.582
P1
:
(5 Cplx.)
RUN2
pKi= 5.8
533
5.0
0.8
103905089
3EKK
(43%)
+
GS2_A_2
QMean=0.488
P1
:
(3 Cplx.)
RUN1
pKi= 4.5
534
5.0
2.3
103904704
4FOB
(41%)
+
0US_A_2
QMean=0.526
P2
:
(3 Cplx.)
RUN0
pKi= 6.5
535
5.0
0.8
103905089
3EKK
(43%)
+
GS2_A_2
QMean=0.488
P3
:
(3 Cplx.)
RUN2
pKi= 4.5
536
5.0
1.8
103905368
4DCE
(41%)
+
0JF_B_4
QMean=0.528
P2
:
(3 Cplx.)
RUN2
pKi= 6.2
537
4.8
1.9
103905639
4AOJ
(100%)
+
V4Z_C_10
QMean=0.582
P1
:
(5 Cplx.)
RUN1
pKi= 7
538
4.7
2.0
103904704
4AT3
(75%)
+
LTI_A_2
QMean=0.520
P2
:
(3 Cplx.)
RUN2
pKi= 6.5
539
4.6
2.4
103904867
3C4F
(40%)
+
C4F_A_3
QMean=0.467
P2
:
(5 Cplx.)
RUN2
pKi= 4.2
540
4.5
1.7
103905073
3NW6
(41%)
+
LGW_A_2
QMean=0.498
P2
:
(3 Cplx.)
RUN2
pKi= 4
541
4.5
2.1
103905551
3NW6
(41%)
+
LGW_A_2
QMean=0.498
P2
:
(3 Cplx.)
RUN1
pKi= 5.8
542
4.3
2.2
103905469
4HW7
(39%)
+
64M_A_2
QMean=0.481
P1
:
(5 Cplx.)
RUN0
pKi= 4.3
543
4.3
2.1
103905469
4HW7
(39%)
+
64M_A_2
QMean=0.481
P1
:
(7 Cplx.)
RUN1
pKi= 4.3
544
4.3
1.6
103905297
3ZOS
(45%)
+
0LI_B_7
QMean=0.538
P1
:
(6 Cplx.)
RUN1
pKi= 4.8
545
4.2
2.0
103904442
4HW7
(39%)
+
64M_A_2
QMean=0.481
P2
:
(3 Cplx.)
RUN1
pKi= 4.7
546
4.2
2.1
103905469
4HW7
(39%)
+
64M_A_2
QMean=0.481
P1
:
(7 Cplx.)
RUN2
pKi= 4.3
547
4.1
2.1
103905499
1OPK
(37%)
+
P16_A_3
QMean=0.462
P1
:
(5 Cplx.)
RUN2
pKi= 4.2
548
4.0
2.2
103905282
1OPK
(37%)
+
P16_A_3
QMean=0.462
P1
:
(7 Cplx.)
RUN0
pKi= 4.8
549
3.9
2.3
103905499
1OPK
(37%)
+
P16_A_3
QMean=0.462
P1
:
(4 Cplx.)
RUN1
pKi= 4.2
550
3.9
1.9
103904867
3ETA
(44%)
+
351_A_3
QMean=0.486
P2
:
(4 Cplx.)
RUN1
pKi= 4.2
551
3.9
1.2
103905282
4FL3
(34%)
+
ANP_A_2
QMean=0.514
P1
:
(5 Cplx.)
RUN2
pKi= 4.8
552
3.9
2.4
103905611
2XYN
(37%)
+
VX6_A_5
QMean=0.464
P1
:
(8 Cplx.)
RUN1
pKi= 4.6
553
3.9
2.2
103905282
3C4F
(40%)
+
C4F_A_3
QMean=0.467
P2
:
(4 Cplx.)
RUN1
pKi= 4.8
554
3.7
1.9
103904442
4F65
(40%)
+
0S9_A_10
QMean=0.448
P3
:
(3 Cplx.)
RUN2
pKi= 4.7
555
3.4
2.5
103905601
4BKJ
(45%)
+
STI_A_3
QMean=0.539
P1
:
(4 Cplx.)
RUN1
pKi= 4.4
556
3.3
2.2
103905601
2XB7
(41%)
+
GUI_A_2
QMean=0.527
P2
:
(5 Cplx.)
RUN2
pKi= 4.4
Correlation coefficient (Pearson) between mesured and calculated pKd: R=0.50
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