Screening Results : Docking based on all models from entry : CLK2_HUMAN
Display Selection :
Study :
All_Studies
RUN0
RUN1
RUN2
Show results:
All Complexes
Atome Selection
Best pKd per Ligand
Best Position per Ligand (LPE)
Selection of Expert
Values:
Resume
Details
Color code: [
Good
|
Correct
|
Uncertain
|
Dubius
] - pKd: [
‹nMol
|
‹μMol
|
‹mMol
| ›mMol]
pKd
LE
LPE < 1.5
LPE < 2.5
All LPE
LPE Spec
ALL_Candidates
103904189
103904190
103904191
103904192
103904193
103904194
103904195
103904196
103904198
103904199
103904200
103904202
103904203
103904206
103904207
103904208
103904209
103904210
103904211
103904212
103904213
103904215
103904216
103904217
103904218
103904219
103904220
103904221
103904222
103904223
103904224
103904225
103904226
103904227
103904228
103904229
103904230
103904231
103904232
103904233
103904234
103904235
103904239
103904240
103904252
103904254
103904255
103904258
103904260
103904262
103904271
103904275
103904276
103904277
103904280
103904281
103904284
103904285
103904286
103904287
103904294
103904295
103904296
103904300
103904302
103904303
103904304
103904307
103904310
103904313
103904321
103904322
103904325
103904329
103904330
103904331
103904333
103904334
103904335
103904338
103904339
103904341
103904342
103904346
103904347
103904348
103904349
103904350
103904351
103904352
103904356
103904357
103904358
103904359
103904361
103904362
103904365
103904366
103904402
103904403
103904404
103904405
103904406
103904413
103904414
103904422
103904441
103904442
103904443
103904448
103904449
103904450
103904452
103904459
103904461
103904462
103904464
103904465
103904466
103904469
103904472
103904473
103904474
103904475
103904477
103904478
103904482
103904483
103904484
103904485
103904486
103904487
103904489
103904502
103904504
103904505
103904506
103904507
103904509
103904510
103904511
103904513
103904514
103904516
103904517
103904518
103904519
103904520
103904521
103904522
103904523
103904524
103904527
103904528
103904529
103904533
103904534
103904535
103904540
103904542
103904544
103904545
103904546
103904547
103904548
103904552
103904555
103904557
103904560
103904564
103904575
103904590
103904591
103904592
103904593
103904594
103904595
103904596
103904598
103904599
103904601
103904602
103904603
103904604
103904605
103904612
103904614
103904616
103904636
103904637
103904638
103904639
103904640
103904641
103904642
103904644
103904647
103904649
103904657
103904658
103904659
103904661
103904663
103904664
103904665
103904677
103904682
103904683
103904684
103904685
103904686
103904687
103904688
103904689
103904690
103904691
103904692
103904702
103904711
103904712
103904735
103904736
103904737
103904738
103904739
103904744
103904746
103904749
103904750
103904758
103904782
103904783
103904786
103904789
103904793
103904797
103904798
103904806
103904807
103904809
103904811
103904812
103904818
103904819
103904820
103904824
103904825
103904826
103904854
103904856
103904859
103904862
103904867
103904869
103904870
103904871
103904872
103904874
103904882
103904884
103904886
103904887
103904888
103904889
103904890
103904891
103904892
103904894
103904895
103904896
103904903
103904904
103904905
103904906
103904908
103904926
103904940
103904947
103904953
103904962
103904963
103904965
103904966
103904968
103904970
103904971
103904972
103904986
103904987
103904990
103904997
103904999
103905000
103905004
103905007
103905009
103905026
103905029
103905034
103905036
103905040
103905045
103905046
103905053
103905055
103905076
103905077
103905078
103905079
103905080
103905081
103905084
103905085
103905089
103905094
103905096
103905099
103905101
103905102
103905104
103905107
103905112
103905113
103905117
103905119
103905120
103905122
103905124
103905125
103905136
103905137
103905144
103905145
103905154
103905158
103905159
103905160
103905165
103905167
103905168
103905173
103905181
103905188
103905203
103905205
103905207
103905208
103905209
103905210
103905212
103905213
103905215
103905219
103905231
103905238
103905239
103905240
103905250
103905251
103905253
103905259
103905260
103905263
103905264
103905267
103905269
103905270
103905271
103905273
103905274
103905275
103905276
103905282
103905284
103905287
103905295
103905297
103905298
103905302
103905306
103905308
103905309
103905310
103905318
103905319
103905322
103905326
103905354
103905355
103905356
103905362
103905371
103905372
103905377
103905378
103905384
103905385
103905386
103905407
103905409
103905414
103905428
103905435
103905444
103905449
103905450
103905452
103905458
103905460
103905461
103905462
103905471
103905472
103905474
103905478
103905481
103905488
103905492
103905493
103905496
103905499
103905508
103905509
103905528
103905531
103905536
103905545
103905550
103905556
103905559
103905564
103905565
103905570
103905573
103905577
103905580
103905590
103905597
103905602
103905603
103905605
103905607
103905608
103905611
103905613
103905614
103905616
103905618
103905637
103905639
103905651
103905652
103905653
103905657
103905660
103905668
103905669
103905675
103905676
103905682
103905684
Complex support
[Template
(Ident)
+ Anchor]
Model Quality
(QMean)
Position of Lig.
Study
Measure
1
6.9
0.5
103905209
3RAW
(71%)
+
3RA_B_4
QMean=0.500
P1
:
(4 Cplx.)
RUN2
pKi= 6.3
2
7.0
0.6
103905209
3RAW
(71%)
+
3RA_B_4
QMean=0.500
P1
:
(3 Cplx.)
RUN1
pKi= 6.3
3
7.0
0.8
103905209
3RAW
(71%)
+
3RA_B_4
QMean=0.500
P1
:
(3 Cplx.)
RUN0
pKi= 6.3
4
6.4
1.0
103904545
3RAW
(71%)
+
3RA_B_4
QMean=0.500
P1
:
(3 Cplx.)
RUN1
pKi= 5.7
5
7.0
1.1
103904527
3RAW
(71%)
+
3RA_B_4
QMean=0.500
P1
:
(4 Cplx.)
RUN1
pKi= 6.6
6
8.9
1.2
103904486
3RAW
(71%)
+
3RA_B_4
QMean=0.500
P1
:
(3 Cplx.)
RUN1
pKi= 8.6
7
5.9
1.2
103905210
3RAW
(71%)
+
3RA_B_4
QMean=0.500
P1
:
(4 Cplx.)
RUN2
pKi= 6.6
8
5.8
1.2
103905210
3RAW
(71%)
+
3RA_B_4
QMean=0.500
P1
:
(4 Cplx.)
RUN1
pKi= 6.6
9
8.5
1.2
103904511
3NR9
(99%)
+
NR9_B_5
QMean=0.513
P1
:
(3 Cplx.)
RUN2
pKi= 8
10
8.9
1.2
103904507
3NR9
(99%)
+
NR9_B_5
QMean=0.513
P1
:
(3 Cplx.)
RUN1
pKi= 6.9
11
6.1
1.2
103905167
3RAW
(71%)
+
3RA_B_4
QMean=0.500
P1
:
(5 Cplx.)
RUN0
pKi= 6.6
12
6.6
1.2
103904557
3RAW
(71%)
+
3RA_B_4
QMean=0.500
P1
:
(3 Cplx.)
RUN1
pKi= 5.4
13
8.1
1.3
103904535
3NR9
(99%)
+
NR9_B_5
QMean=0.513
P1
:
(3 Cplx.)
RUN1
pKi= 7.6
14
7.9
1.3
103904533
3NR9
(99%)
+
NR9_B_5
QMean=0.513
P1
:
(3 Cplx.)
RUN1
pKi= 7.4
15
8.2
1.3
103904534
3RAW
(71%)
+
3RA_B_4
QMean=0.500
P2
:
(3 Cplx.)
RUN2
pKi= 7.1
16
7.0
1.3
103904520
1Z57
(66%)
+
DBQ_A_2
QMean=0.494
P1
:
(3 Cplx.)
RUN1
pKi= 6.5
17
8.9
1.3
103904507
3NR9
(99%)
+
NR9_B_5
QMean=0.513
P1
:
(3 Cplx.)
RUN2
pKi= 6.9
18
7.4
1.4
103904527
2WU7
(71%)
+
V25_A_2
QMean=0.520
P1
:
(4 Cplx.)
RUN2
pKi= 6.6
19
6.6
1.4
103904191
3NR9
(99%)
+
NR9_B_5
QMean=0.513
P1
:
(3 Cplx.)
RUN2
pKi= 8.2
20
7.1
1.4
103905089
3RAW
(71%)
+
3RA_B_4
QMean=0.500
P1
:
(3 Cplx.)
RUN2
pKi= 6.6
21
8.3
1.4
103904199
3RAW
(71%)
+
3RA_B_4
QMean=0.500
P1
:
(4 Cplx.)
RUN2
pKi= 7.4
22
6.0
1.4
103905167
3RAW
(71%)
+
3RA_B_4
QMean=0.500
P1
:
(4 Cplx.)
RUN2
pKi= 6.6
23
6.0
1.4
103904198
3RAW
(71%)
+
3RA_B_4
QMean=0.500
P1
:
(3 Cplx.)
RUN2
pKi= 4.9
24
7.4
1.4
103904192
1Z57
(66%)
+
DBQ_A_2
QMean=0.494
P1
:
(3 Cplx.)
RUN2
pKi= 8.4
25
6.4
1.4
103904786
1Z57
(66%)
+
DBQ_A_2
QMean=0.494
P1
:
(3 Cplx.)
RUN2
pKi= 5.6
26
8.1
1.4
103904511
3NR9
(99%)
+
NR9_B_5
QMean=0.513
P1
:
(3 Cplx.)
RUN1
pKi= 8
27
7.4
1.4
103904475
3RAW
(71%)
+
3RA_B_4
QMean=0.500
P1
:
(3 Cplx.)
RUN1
pKi= 7.3
28
7.7
1.4
103904519
3NR9
(99%)
+
NR9_B_5
QMean=0.513
P1
:
(3 Cplx.)
RUN1
pKi= 7.2
29
5.9
1.4
103905167
3RAW
(71%)
+
3RA_B_4
QMean=0.500
P1
:
(4 Cplx.)
RUN1
pKi= 6.6
30
6.8
1.4
103905089
1Z57
(66%)
+
DBQ_A_2
QMean=0.494
P1
:
(3 Cplx.)
RUN1
pKi= 6.6
31
6.0
1.4
103905461
3RAW
(71%)
+
3RA_B_4
QMean=0.500
P1
:
(3 Cplx.)
RUN1
pKi= 4.3
32
8.2
1.4
103904514
3NR9
(99%)
+
NR9_B_5
QMean=0.513
P1
:
(3 Cplx.)
RUN1
pKi= 7.8
33
7.8
1.4
103904190
3RAW
(71%)
+
3RA_B_4
QMean=0.500
P1
:
(5 Cplx.)
RUN1
pKi= 8.1
34
7.9
1.4
103904233
1Z57
(66%)
+
DBQ_A_2
QMean=0.494
P1
:
(3 Cplx.)
RUN2
pKi= 7.8
35
7.8
1.4
103904200
3RAW
(71%)
+
3RA_B_4
QMean=0.500
P1
:
(6 Cplx.)
RUN1
pKi= 8.1
36
8.5
1.4
103904540
3NR9
(99%)
+
NR9_B_5
QMean=0.513
P1
:
(3 Cplx.)
RUN1
pKi= 7
37
6.9
1.5
103905603
3NR9
(99%)
+
NR9_B_5
QMean=0.513
P1
:
(3 Cplx.)
RUN1
pKi= 6
38
7.0
1.5
103905407
3RAW
(71%)
+
3RA_B_4
QMean=0.500
P1
:
(5 Cplx.)
RUN2
pKi= 6.1
39
7.8
1.5
103904464
3RAW
(71%)
+
3RA_B_4
QMean=0.500
P1
:
(4 Cplx.)
RUN1
pKi= 7
40
8.0
1.5
103904258
3NR9
(99%)
+
NR9_B_5
QMean=0.513
P1
:
(5 Cplx.)
RUN1
pKi= 6.6
41
8.0
1.5
103904216
3RAW
(71%)
+
3RA_B_4
QMean=0.500
P1
:
(5 Cplx.)
RUN1
pKi= 6.1
42
7.7
1.5
103904529
3RAW
(71%)
+
3RA_B_4
QMean=0.500
P1
:
(3 Cplx.)
RUN2
pKi= 6.2
43
8.7
1.5
103904462
2WU7
(71%)
+
V25_A_2
QMean=0.520
P1
:
(3 Cplx.)
RUN2
pKi= 9.1
44
8.9
1.5
103904540
3NR9
(99%)
+
NR9_B_5
QMean=0.513
P1
:
(3 Cplx.)
RUN2
pKi= 7
45
6.4
1.5
103904482
3RAW
(71%)
+
3RA_B_4
QMean=0.500
P1
:
(3 Cplx.)
RUN1
pKi= 6.8
46
6.1
1.5
103905613
3RAW
(71%)
+
3RA_B_4
QMean=0.500
P1
:
(5 Cplx.)
RUN1
pKi= 5.7
47
7.7
1.5
103904202
1Z57
(66%)
+
DBQ_A_2
QMean=0.494
P1
:
(4 Cplx.)
RUN2
pKi= 7.4
48
7.7
1.5
103904220
3RAW
(71%)
+
3RA_B_4
QMean=0.500
P1
:
(3 Cplx.)
RUN1
pKi= 7.8
49
6.9
1.5
103905407
3RAW
(71%)
+
3RA_B_4
QMean=0.500
P1
:
(4 Cplx.)
RUN1
pKi= 6.1
50
7.4
1.5
103904469
3RAW
(71%)
+
3RA_B_4
QMean=0.500
P1
:
(5 Cplx.)
RUN1
pKi= 8
51
6.6
1.5
103904735
3RAW
(71%)
+
3RA_B_4
QMean=0.500
P1
:
(5 Cplx.)
RUN1
pKi= 7.2
52
7.2
1.5
103905275
3RAW
(71%)
+
3RA_B_4
QMean=0.500
P1
:
(3 Cplx.)
RUN2
pKi= 5.7
53
6.3
1.5
103905613
3RAW
(71%)
+
3RA_B_4
QMean=0.500
P1
:
(4 Cplx.)
RUN2
pKi= 5.7
54
7.5
1.5
103904220
3RAW
(71%)
+
3RA_B_4
QMean=0.500
P1
:
(3 Cplx.)
RUN2
pKi= 7.8
55
7.1
1.5
103905089
3RAW
(71%)
+
3RA_B_4
QMean=0.500
P1
:
(4 Cplx.)
RUN0
pKi= 6.6
56
6.9
1.5
103905213
3RAW
(71%)
+
3RA_B_4
QMean=0.500
P1
:
(3 Cplx.)
RUN1
pKi= 5.4
57
8.3
1.6
103904230
1Z57
(66%)
+
DBQ_A_2
QMean=0.494
P1
:
(3 Cplx.)
RUN2
pKi= 7.3
58
7.0
1.6
103905407
3RAW
(71%)
+
3RA_B_4
QMean=0.500
P1
:
(6 Cplx.)
RUN0
pKi= 6.1
59
8.0
1.6
103904193
3RAW
(71%)
+
3RA_B_4
QMean=0.500
P1
:
(4 Cplx.)
RUN2
pKi= 8.1
60
8.5
1.6
103904514
3NR9
(99%)
+
NR9_B_5
QMean=0.513
P1
:
(3 Cplx.)
RUN2
pKi= 7.8
61
6.8
1.6
103904517
1Z57
(66%)
+
DBQ_A_2
QMean=0.494
P1
:
(3 Cplx.)
RUN1
pKi= 6.2
62
8.0
1.6
103904475
2WU7
(71%)
+
V25_A_2
QMean=0.520
P1
:
(3 Cplx.)
RUN2
pKi= 7.3
63
5.9
1.6
103905461
3RAW
(71%)
+
3RA_B_4
QMean=0.500
P1
:
(3 Cplx.)
RUN2
pKi= 4.3
64
8.0
1.6
103904189
3RAW
(71%)
+
3RA_B_4
QMean=0.500
P1
:
(3 Cplx.)
RUN2
pKi= 8.1
65
9.1
1.6
103904533
1Z57
(66%)
+
DBQ_A_2
QMean=0.494
P1
:
(4 Cplx.)
RUN2
pKi= 7.4
66
9.3
1.6
103904962
3RAW
(71%)
+
3RA_B_4
QMean=0.500
P1
:
(4 Cplx.)
RUN2
pKi= 6
67
7.8
1.6
103904202
1Z57
(66%)
+
DBQ_A_2
QMean=0.494
P1
:
(5 Cplx.)
RUN0
pKi= 7.4
68
6.4
1.6
103905009
3LLT
(37%)
+
ANP_A_4
QMean=0.424
P1
:
(3 Cplx.)
RUN2
pKi= 5.2
69
7.3
1.6
103904203
1Z57
(66%)
+
DBQ_A_2
QMean=0.494
P1
:
(4 Cplx.)
RUN2
pKi= 8.3
70
7.9
1.6
103904478
3RAW
(71%)
+
3RA_B_4
QMean=0.500
P1
:
(3 Cplx.)
RUN1
pKi= 8.3
71
7.1
1.6
103905682
3NR9
(99%)
+
NR9_B_5
QMean=0.513
P1
:
(3 Cplx.)
RUN1
pKi= 5.5
72
6.1
1.6
103904786
1Z57
(66%)
+
DBQ_A_2
QMean=0.494
P1
:
(4 Cplx.)
RUN1
pKi= 5.6
73
9.3
1.6
103904962
3RAW
(71%)
+
3RA_B_4
QMean=0.500
P1
:
(3 Cplx.)
RUN1
pKi= 6
74
6.6
1.6
103904575
2WU7
(71%)
+
V25_A_2
QMean=0.520
P1
:
(3 Cplx.)
RUN2
pKi= 5.5
75
8.1
1.6
103904466
3RAW
(71%)
+
3RA_B_4
QMean=0.500
P1
:
(4 Cplx.)
RUN1
pKi= 6.6
76
8.5
1.6
103904231
3RAW
(71%)
+
3RA_B_4
QMean=0.500
P1
:
(3 Cplx.)
RUN2
pKi= 8.5
77
7.5
1.6
103904203
2WU7
(71%)
+
V25_A_2
QMean=0.520
P1
:
(3 Cplx.)
RUN1
pKi= 8.3
78
7.4
1.6
103904226
3RAW
(71%)
+
3RA_B_4
QMean=0.500
P1
:
(4 Cplx.)
RUN1
pKi= 7.3
79
8.6
1.6
103904235
1Z57
(66%)
+
DBQ_A_2
QMean=0.494
P1
:
(4 Cplx.)
RUN0
pKi= 8
80
7.9
1.6
103904229
1Z57
(66%)
+
DBQ_A_2
QMean=0.494
P1
:
(3 Cplx.)
RUN0
pKi= 7.6
81
6.7
1.6
103904517
1Z57
(66%)
+
DBQ_A_2
QMean=0.494
P1
:
(3 Cplx.)
RUN2
pKi= 6.2
82
7.4
1.6
103904213
1Z57
(66%)
+
DBQ_A_2
QMean=0.494
P1
:
(3 Cplx.)
RUN1
pKi= 5.3
83
8.1
1.6
103904485
3RAW
(71%)
+
3RA_B_4
QMean=0.500
P1
:
(4 Cplx.)
RUN1
pKi= 6.3
84
7.6
1.6
103904218
3RAW
(71%)
+
3RA_B_4
QMean=0.500
P1
:
(4 Cplx.)
RUN2
pKi= 7.5
85
7.2
1.6
103904483
1Z57
(66%)
+
DBQ_A_2
QMean=0.494
P1
:
(3 Cplx.)
RUN1
pKi= 7
86
9.3
1.6
103904219
3LLT
(37%)
+
ANP_A_4
QMean=0.424
P1
:
(3 Cplx.)
RUN0
pKi= 7.5
87
6.9
1.6
103904516
3RAW
(71%)
+
3RA_B_4
QMean=0.500
P1
:
(3 Cplx.)
RUN2
pKi= 5.4
88
6.6
1.6
103904735
3RAW
(71%)
+
3RA_B_4
QMean=0.500
P1
:
(4 Cplx.)
RUN2
pKi= 7.2
89
7.2
1.6
103905275
3RAW
(71%)
+
3RA_B_4
QMean=0.500
P1
:
(4 Cplx.)
RUN0
pKi= 5.7
90
4.5
1.6
103904442
3RAW
(71%)
+
3RA_B_4
QMean=0.500
P1
:
(4 Cplx.)
RUN1
pKi= 4.8
91
9.0
1.7
103904224
3RAW
(71%)
+
3RA_B_4
QMean=0.500
P1
:
(3 Cplx.)
RUN2
pKi= 7.8
92
6.8
1.7
103905275
1Z57
(66%)
+
DBQ_A_2
QMean=0.494
P1
:
(3 Cplx.)
RUN1
pKi= 5.7
93
5.5
1.7
103905435
1Z57
(66%)
+
DBQ_A_2
QMean=0.494
P1
:
(3 Cplx.)
RUN1
pKi= 5.6
94
8.3
1.7
103904230
3RAW
(71%)
+
3RA_B_4
QMean=0.500
P1
:
(3 Cplx.)
RUN1
pKi= 7.3
95
7.7
1.7
103904217
3RAW
(71%)
+
3RA_B_4
QMean=0.500
P1
:
(3 Cplx.)
RUN2
pKi= 7.8
96
6.9
1.7
103904262
3NR9
(99%)
+
NR9_B_5
QMean=0.513
P1
:
(4 Cplx.)
RUN2
pKi= 5.8
97
7.1
1.7
103904211
1Z57
(66%)
+
DBQ_A_2
QMean=0.494
P1
:
(3 Cplx.)
RUN1
pKi= 5.9
98
9.2
1.7
103904474
2WU7
(71%)
+
V25_A_2
QMean=0.520
P1
:
(3 Cplx.)
RUN1
pKi= 6.9
99
8.0
1.7
103904200
3RAW
(71%)
+
3RA_B_4
QMean=0.500
P1
:
(3 Cplx.)
RUN2
pKi= 8.1
100
8.8
1.7
103904225
1Z57
(66%)
+
DBQ_A_2
QMean=0.494
P1
:
(3 Cplx.)
RUN0
pKi= 7.5
101
6.7
1.7
103904218
3NR9
(99%)
+
NR9_B_5
QMean=0.513
P1
:
(3 Cplx.)
RUN1
pKi= 7.5
102
8.2
1.7
103904223
1Z57
(66%)
+
DBQ_A_2
QMean=0.494
P1
:
(5 Cplx.)
RUN2
pKi= 7
103
7.3
1.7
103904564
3NR9
(99%)
+
NR9_B_5
QMean=0.513
P1
:
(5 Cplx.)
RUN1
pKi= 6.6
104
7.9
1.7
103904226
3RAW
(71%)
+
3RA_B_4
QMean=0.500
P1
:
(3 Cplx.)
RUN2
pKi= 7.3
105
7.2
1.7
103904469
2WU7
(71%)
+
V25_A_2
QMean=0.520
P1
:
(3 Cplx.)
RUN2
pKi= 8
106
8.0
1.7
103904190
3RAW
(71%)
+
3RA_B_4
QMean=0.500
P1
:
(3 Cplx.)
RUN2
pKi= 8.1
107
8.2
1.7
103904217
3RAW
(71%)
+
3RA_B_4
QMean=0.500
P1
:
(4 Cplx.)
RUN1
pKi= 7.8
108
7.4
1.7
103904213
1Z57
(66%)
+
DBQ_A_2
QMean=0.494
P1
:
(3 Cplx.)
RUN2
pKi= 5.3
109
7.3
1.7
103904212
1Z57
(66%)
+
DBQ_A_2
QMean=0.494
P1
:
(3 Cplx.)
RUN1
pKi= 6.7
110
8.3
1.7
103904230
1Z57
(66%)
+
DBQ_A_2
QMean=0.494
P1
:
(4 Cplx.)
RUN0
pKi= 7.3
111
8.9
1.7
103904225
3RAW
(71%)
+
3RA_B_4
QMean=0.500
P1
:
(4 Cplx.)
RUN1
pKi= 7.5
112
8.8
1.7
103904260
3RAW
(71%)
+
3RA_B_4
QMean=0.500
P1
:
(4 Cplx.)
RUN1
pKi= 5.7
113
6.0
1.7
103905122
1Z57
(66%)
+
DBQ_A_2
QMean=0.494
P1
:
(4 Cplx.)
RUN1
pKi= 4.6
114
7.8
1.7
103905119
3RAW
(71%)
+
3RA_B_4
QMean=0.500
P1
:
(3 Cplx.)
RUN1
pKi= 6.6
115
7.8
1.7
103905259
3RAW
(71%)
+
3RA_B_4
QMean=0.500
P1
:
(5 Cplx.)
RUN2
pKi= 7.6
116
8.5
1.7
103904233
1Z57
(66%)
+
DBQ_A_2
QMean=0.494
P1
:
(5 Cplx.)
RUN0
pKi= 7.8
117
6.6
1.7
103904970
3LLT
(37%)
+
ANP_A_4
QMean=0.424
P1
:
(5 Cplx.)
RUN2
pKi= 5.2
118
7.5
1.7
103904220
3RAW
(71%)
+
3RA_B_4
QMean=0.500
P1
:
(4 Cplx.)
RUN0
pKi= 7.8
119
6.5
1.7
103904191
3NR9
(99%)
+
NR9_B_5
QMean=0.513
P1
:
(5 Cplx.)
RUN1
pKi= 8.2
120
7.8
1.7
103904189
3NR9
(99%)
+
NR9_B_5
QMean=0.513
P1
:
(5 Cplx.)
RUN1
pKi= 8.1
121
8.4
1.7
103904232
1Z57
(66%)
+
DBQ_A_2
QMean=0.494
P1
:
(4 Cplx.)
RUN2
pKi= 7.8
122
9.1
1.7
103904473
1Z57
(66%)
+
DBQ_A_2
QMean=0.494
P1
:
(3 Cplx.)
RUN0
pKi= 5.9
123
8.5
1.7
103904235
3RAW
(71%)
+
3RA_B_4
QMean=0.500
P1
:
(3 Cplx.)
RUN1
pKi= 8
124
7.8
1.7
103904193
3NR9
(99%)
+
NR9_B_5
QMean=0.513
P1
:
(5 Cplx.)
RUN1
pKi= 8.1
125
6.1
1.7
103904798
2WU7
(71%)
+
V25_A_2
QMean=0.520
P1
:
(3 Cplx.)
RUN2
pKi= 6.3
126
7.2
1.7
103904209
3RAW
(71%)
+
3RA_B_4
QMean=0.500
P1
:
(4 Cplx.)
RUN1
pKi= 7.3
127
8.3
1.7
103904227
3RAW
(71%)
+
3RA_B_4
QMean=0.500
P1
:
(3 Cplx.)
RUN2
pKi= 7.8
128
8.0
1.8
103904229
2WU7
(71%)
+
V25_A_2
QMean=0.520
P1
:
(4 Cplx.)
RUN2
pKi= 7.6
129
9.0
1.8
103904224
1Z57
(66%)
+
DBQ_A_2
QMean=0.494
P1
:
(4 Cplx.)
RUN0
pKi= 7.8
130
6.6
1.8
103905212
3LLT
(37%)
+
ANP_A_4
QMean=0.424
P1
:
(4 Cplx.)
RUN2
pKi= 5.9
131
7.1
1.8
103904966
3RAW
(71%)
+
3RA_B_4
QMean=0.500
P1
:
(5 Cplx.)
RUN2
pKi= 6
132
8.2
1.8
103904227
1Z57
(66%)
+
DBQ_A_2
QMean=0.494
P1
:
(4 Cplx.)
RUN0
pKi= 7.8
133
8.0
1.8
103904737
3RAW
(71%)
+
3RA_B_4
QMean=0.500
P1
:
(3 Cplx.)
RUN2
pKi= 6.8
134
8.2
1.8
103904223
1Z57
(66%)
+
DBQ_A_2
QMean=0.494
P1
:
(4 Cplx.)
RUN0
pKi= 7
135
8.9
1.8
103904544
3NR9
(99%)
+
NR9_B_5
QMean=0.513
P1
:
(3 Cplx.)
RUN2
pKi= 7.1
136
7.1
1.8
103904221
3LLT
(37%)
+
ANP_A_4
QMean=0.424
P1
:
(3 Cplx.)
RUN2
pKi= 7.7
137
7.8
1.8
103905577
3ZDU
(28%)
+
38R_A_2
QMean=0.487
P1
:
(3 Cplx.)
RUN1
pKi= 5.4
138
8.1
1.8
103905259
3RAW
(71%)
+
3RA_B_4
QMean=0.500
P1
:
(5 Cplx.)
RUN0
pKi= 7.6
139
6.4
1.8
103905450
3RAW
(71%)
+
3RA_B_4
QMean=0.500
P1
:
(3 Cplx.)
RUN2
pKi= 5.3
140
7.7
1.8
103905259
3RAW
(71%)
+
3RA_B_4
QMean=0.500
P1
:
(5 Cplx.)
RUN1
pKi= 7.6
141
5.9
1.8
103904198
1Z57
(66%)
+
DBQ_A_2
QMean=0.494
P1
:
(3 Cplx.)
RUN1
pKi= 4.9
142
6.1
1.8
103905668
3RAW
(71%)
+
3RA_B_4
QMean=0.500
P1
:
(3 Cplx.)
RUN1
pKi= 6.7
143
8.3
1.8
103904544
3NR9
(99%)
+
NR9_B_5
QMean=0.513
P1
:
(3 Cplx.)
RUN1
pKi= 7.1
144
6.9
1.8
103904294
1Z57
(66%)
+
DBQ_A_2
QMean=0.494
P1
:
(4 Cplx.)
RUN1
pKi= 6
145
8.1
1.8
103904193
3RAW
(71%)
+
3RA_B_4
QMean=0.500
P1
:
(4 Cplx.)
RUN0
pKi= 8.1
146
7.2
1.8
103904221
1Z57
(66%)
+
DBQ_A_2
QMean=0.494
P1
:
(6 Cplx.)
RUN0
pKi= 7.7
147
7.6
1.8
103904212
1Z57
(66%)
+
DBQ_A_2
QMean=0.494
P1
:
(4 Cplx.)
RUN2
pKi= 6.7
148
5.9
1.8
103904990
3LLT
(37%)
+
ANP_A_4
QMean=0.424
P1
:
(4 Cplx.)
RUN1
pKi= 6.9
149
7.6
1.8
103905231
3RAW
(71%)
+
3RA_B_4
QMean=0.500
P1
:
(3 Cplx.)
RUN1
pKi= 6.9
150
7.1
1.8
103904972
3RAW
(71%)
+
3RA_B_4
QMean=0.500
P1
:
(5 Cplx.)
RUN0
pKi= 5.4
151
7.4
1.8
103904469
1Z57
(66%)
+
DBQ_A_2
QMean=0.494
P1
:
(5 Cplx.)
RUN0
pKi= 8
152
6.5
1.8
103905036
3RAW
(71%)
+
3RA_B_4
QMean=0.500
P1
:
(4 Cplx.)
RUN2
pKi= 7
153
7.6
1.8
103904255
3RAW
(71%)
+
3RA_B_4
QMean=0.500
P1
:
(4 Cplx.)
RUN0
pKi= 6.1
154
7.3
1.9
103904223
3LLT
(37%)
+
ANP_A_4
QMean=0.424
P1
:
(4 Cplx.)
RUN1
pKi= 7
155
8.3
1.9
103904199
3RAW
(71%)
+
3RA_B_4
QMean=0.500
P1
:
(3 Cplx.)
RUN0
pKi= 7.4
156
7.3
1.9
103904872
1Z57
(66%)
+
DBQ_A_2
QMean=0.494
P1
:
(4 Cplx.)
RUN2
pKi= 7
157
6.0
1.9
103905377
3RAW
(71%)
+
3RA_B_4
QMean=0.500
P1
:
(3 Cplx.)
RUN1
pKi= 5.9
158
6.5
1.9
103904798
1Z57
(66%)
+
DBQ_A_2
QMean=0.494
P1
:
(5 Cplx.)
RUN0
pKi= 6.3
159
6.9
1.9
103904518
3RAW
(71%)
+
3RA_B_4
QMean=0.500
P1
:
(3 Cplx.)
RUN1
pKi= 5.5
160
8.2
1.9
103904200
3RAW
(71%)
+
3RA_B_4
QMean=0.500
P1
:
(3 Cplx.)
RUN0
pKi= 8.1
161
7.3
1.9
103905273
1Z57
(66%)
+
DBQ_A_2
QMean=0.494
P1
:
(4 Cplx.)
RUN1
pKi= 5.7
162
6.6
1.9
103904276
3RAW
(71%)
+
3RA_B_4
QMean=0.500
P1
:
(3 Cplx.)
RUN1
pKi= 5.2
163
5.9
1.9
103904970
1Z57
(66%)
+
DBQ_A_2
QMean=0.494
P1
:
(4 Cplx.)
RUN1
pKi= 5.2
164
6.3
1.9
103904575
3NR9
(99%)
+
NR9_B_5
QMean=0.513
P1
:
(4 Cplx.)
RUN1
pKi= 5.5
165
6.6
1.9
103904736
2WU7
(71%)
+
V25_A_2
QMean=0.520
P1
:
(3 Cplx.)
RUN0
pKi= 7
166
7.5
1.9
103904465
3LLT
(37%)
+
ANP_A_4
QMean=0.424
P1
:
(4 Cplx.)
RUN1
pKi= 6.5
167
6.5
1.9
103905269
3RAW
(71%)
+
3RA_B_4
QMean=0.500
P1
:
(5 Cplx.)
RUN2
pKi= 5.2
168
7.7
1.9
103904414
3NR9
(99%)
+
NR9_B_5
QMean=0.513
P1
:
(3 Cplx.)
RUN2
pKi= 5.1
169
8.2
1.9
103904477
2WU7
(71%)
+
V25_A_2
QMean=0.520
P1
:
(3 Cplx.)
RUN2
pKi= 8.3
170
8.2
1.9
103904190
3RAW
(71%)
+
3RA_B_4
QMean=0.500
P1
:
(3 Cplx.)
RUN0
pKi= 8.1
171
6.0
1.9
103905274
1Z57
(66%)
+
DBQ_A_2
QMean=0.494
P1
:
(3 Cplx.)
RUN2
pKi= 4.7
172
8.9
1.9
103904522
1Z57
(66%)
+
DBQ_A_2
QMean=0.494
P1
:
(3 Cplx.)
RUN2
pKi= 7.5
173
6.4
1.9
103904221
3RAW
(71%)
+
3RA_B_4
QMean=0.500
P1
:
(3 Cplx.)
RUN1
pKi= 7.7
174
6.9
1.9
103904207
1Z57
(66%)
+
DBQ_A_2
QMean=0.494
P1
:
(5 Cplx.)
RUN2
pKi= 6.2
175
8.1
1.9
103904258
3RAW
(71%)
+
3RA_B_4
QMean=0.500
P1
:
(3 Cplx.)
RUN2
pKi= 6.6
176
7.8
1.9
103904239
3LLT
(37%)
+
ANP_A_4
QMean=0.424
P1
:
(4 Cplx.)
RUN1
pKi= 6.4
177
8.9
1.9
103904228
3RAW
(71%)
+
3RA_B_4
QMean=0.500
P1
:
(5 Cplx.)
RUN1
pKi= 7.4
178
7.7
1.9
103904239
3RAW
(71%)
+
3RA_B_4
QMean=0.500
P1
:
(6 Cplx.)
RUN0
pKi= 6.4
179
6.7
1.9
103904575
2WU7
(71%)
+
V25_A_2
QMean=0.520
P1
:
(5 Cplx.)
RUN0
pKi= 5.5
180
7.7
1.9
103904414
3NR9
(99%)
+
NR9_B_5
QMean=0.513
P1
:
(3 Cplx.)
RUN0
pKi= 5.1
181
7.7
1.9
103905007
3RAW
(71%)
+
3RA_B_4
QMean=0.500
P1
:
(4 Cplx.)
RUN1
pKi= 5.3
182
9.8
1.9
103904962
2WU7
(71%)
+
V25_A_2
QMean=0.520
P1
:
(5 Cplx.)
RUN0
pKi= 6
183
7.4
1.9
103904518
3LLT
(37%)
+
ANP_A_4
QMean=0.424
P1
:
(3 Cplx.)
RUN2
pKi= 5.5
184
6.1
1.9
103905668
3RAW
(71%)
+
3RA_B_4
QMean=0.500
P1
:
(3 Cplx.)
RUN2
pKi= 6.7
185
6.8
1.9
103904612
3ZDU
(28%)
+
38R_A_2
QMean=0.487
P1
:
(3 Cplx.)
RUN1
pKi= 8
186
6.9
1.9
103904604
3ZDU
(28%)
+
38R_A_2
QMean=0.487
P1
:
(3 Cplx.)
RUN1
pKi= 6.2
187
6.9
1.9
103904208
1Z57
(66%)
+
DBQ_A_2
QMean=0.494
P1
:
(4 Cplx.)
RUN2
pKi= 7.8
188
7.6
1.9
103904222
3RAW
(71%)
+
3RA_B_4
QMean=0.500
P1
:
(3 Cplx.)
RUN2
pKi= 7.4
189
7.0
1.9
103904489
3RAW
(71%)
+
3RA_B_4
QMean=0.500
P1
:
(4 Cplx.)
RUN1
pKi= 5.5
190
6.5
1.9
103905372
3RAW
(71%)
+
3RA_B_4
QMean=0.500
P1
:
(3 Cplx.)
RUN2
pKi= 6.3
191
7.1
1.9
103904229
3LLT
(37%)
+
ANP_A_4
QMean=0.424
P1
:
(5 Cplx.)
RUN1
pKi= 7.6
192
9.1
1.9
103904513
2WU7
(71%)
+
V25_A_2
QMean=0.520
P1
:
(4 Cplx.)
RUN1
pKi= 6.9
193
7.3
1.9
103904590
3NR9
(99%)
+
NR9_B_5
QMean=0.513
P1
:
(3 Cplx.)
RUN0
pKi= 6
194
7.8
2.0
103904216
3RAW
(71%)
+
3RA_B_4
QMean=0.500
P1
:
(3 Cplx.)
RUN0
pKi= 6.1
195
7.5
2.0
103905597
3RAW
(71%)
+
3RA_B_4
QMean=0.500
P1
:
(3 Cplx.)
RUN2
pKi= 6
196
6.9
2.0
103905119
1Z57
(66%)
+
DBQ_A_2
QMean=0.494
P1
:
(3 Cplx.)
RUN2
pKi= 6.6
197
7.1
2.0
103904882
3ZDU
(28%)
+
38R_A_2
QMean=0.487
P1
:
(4 Cplx.)
RUN0
pKi= 7.4
198
7.8
2.0
103904239
3NR9
(99%)
+
NR9_B_5
QMean=0.513
P1
:
(4 Cplx.)
RUN2
pKi= 6.4
199
6.6
2.0
103905079
3ZDU
(28%)
+
38R_A_2
QMean=0.487
P1
:
(3 Cplx.)
RUN1
pKi= 6.6
200
8.9
2.0
103904224
3LLT
(37%)
+
ANP_A_4
QMean=0.424
P1
:
(4 Cplx.)
RUN1
pKi= 7.8
201
6.0
2.0
103904971
1Z57
(66%)
+
DBQ_A_2
QMean=0.494
P1
:
(5 Cplx.)
RUN1
pKi= 5.5
202
7.8
2.0
103904217
3RAW
(71%)
+
3RA_B_4
QMean=0.500
P1
:
(3 Cplx.)
RUN0
pKi= 7.8
203
6.7
2.0
103905492
3LLT
(37%)
+
ANP_A_4
QMean=0.424
P1
:
(3 Cplx.)
RUN2
pKi= 6.3
204
8.4
2.0
103904737
3RAW
(71%)
+
3RA_B_4
QMean=0.500
P1
:
(6 Cplx.)
RUN1
pKi= 6.8
205
6.4
2.0
103904487
3RAW
(71%)
+
3RA_B_4
QMean=0.500
P1
:
(3 Cplx.)
RUN2
pKi= 5.5
206
6.4
2.0
103905605
3RAW
(71%)
+
3RA_B_4
QMean=0.500
P1
:
(5 Cplx.)
RUN1
pKi= 6.4
207
7.1
2.0
103904806
3RAW
(71%)
+
3RA_B_4
QMean=0.500
P1
:
(4 Cplx.)
RUN0
pKi= 6
208
9.6
2.0
103905251
2WU7
(71%)
+
V25_A_2
QMean=0.520
P1
:
(3 Cplx.)
RUN0
pKi= 6.7
209
7.2
2.0
103904459
3RAW
(71%)
+
3RA_B_4
QMean=0.500
P1
:
(3 Cplx.)
RUN1
pKi= 6
210
7.0
2.0
103904712
3RAW
(71%)
+
3RA_B_4
QMean=0.500
P1
:
(3 Cplx.)
RUN2
pKi= 5.3
211
8.1
2.0
103904737
3RAW
(71%)
+
3RA_B_4
QMean=0.500
P1
:
(4 Cplx.)
RUN0
pKi= 6.8
212
7.7
2.0
103904465
3ZDU
(28%)
+
38R_A_2
QMean=0.487
P1
:
(3 Cplx.)
RUN2
pKi= 6.5
213
8.8
2.0
103904505
1Z57
(66%)
+
DBQ_A_2
QMean=0.494
P1
:
(3 Cplx.)
RUN2
pKi= 7.2
214
7.5
2.0
103904255
1Z57
(66%)
+
DBQ_A_2
QMean=0.494
P1
:
(3 Cplx.)
RUN1
pKi= 6.1
215
6.7
2.0
103905409
3RAW
(71%)
+
3RA_B_4
QMean=0.500
P1
:
(3 Cplx.)
RUN2
pKi= 7.1
216
7.0
2.0
103904502
1Z57
(66%)
+
DBQ_A_2
QMean=0.494
P1
:
(3 Cplx.)
RUN1
pKi= 7.9
217
7.9
2.0
103904414
3RAW
(71%)
+
3RA_B_4
QMean=0.500
P1
:
(3 Cplx.)
RUN1
pKi= 5.1
218
6.0
2.0
103904198
1Z57
(66%)
+
DBQ_A_2
QMean=0.494
P1
:
(3 Cplx.)
RUN0
pKi= 4.9
219
7.4
2.0
103904502
3RAW
(71%)
+
3RA_B_4
QMean=0.500
P1
:
(3 Cplx.)
RUN2
pKi= 7.9
220
7.4
2.0
103904518
3LLT
(37%)
+
ANP_A_4
QMean=0.424
P1
:
(4 Cplx.)
RUN0
pKi= 5.5
221
7.2
2.0
103904972
3RAW
(71%)
+
3RA_B_4
QMean=0.500
P1
:
(5 Cplx.)
RUN2
pKi= 5.4
222
6.7
2.1
103904904
3NR9
(99%)
+
NR9_B_5
QMean=0.513
P1
:
(3 Cplx.)
RUN2
pKi= 6.5
223
6.7
2.1
103904234
1Z57
(66%)
+
DBQ_A_2
QMean=0.494
P1
:
(4 Cplx.)
RUN2
pKi= 8.4
224
6.7
2.1
103904906
3NR9
(99%)
+
NR9_B_5
QMean=0.513
P1
:
(3 Cplx.)
RUN2
pKi= 6.5
225
6.1
2.1
103905536
3NR9
(99%)
+
NR9_B_5
QMean=0.513
P1
:
(4 Cplx.)
RUN1
pKi= 6.6
226
5.7
2.1
103905550
1Z57
(66%)
+
DBQ_A_2
QMean=0.494
P1
:
(3 Cplx.)
RUN2
pKi= 5.3
227
7.4
2.1
103904953
1Z57
(66%)
+
DBQ_A_2
QMean=0.494
P1
:
(3 Cplx.)
RUN2
pKi= 7.3
228
6.8
2.1
103904972
3RAW
(71%)
+
3RA_B_4
QMean=0.500
P1
:
(5 Cplx.)
RUN1
pKi= 5.4
229
6.7
2.1
103904215
3RAW
(71%)
+
3RA_B_4
QMean=0.500
P1
:
(5 Cplx.)
RUN1
pKi= 6.4
230
6.6
2.1
103904215
3RAW
(71%)
+
3RA_B_4
QMean=0.500
P1
:
(5 Cplx.)
RUN2
pKi= 6.4
231
8.1
2.1
103904330
1Z57
(66%)
+
DBQ_A_2
QMean=0.494
P1
:
(3 Cplx.)
RUN2
pKi= 5.2
232
9.0
2.1
103904325
3NR9
(99%)
+
NR9_B_5
QMean=0.513
P1
:
(4 Cplx.)
RUN2
pKi= 5.5
233
7.1
2.1
103905271
3RAW
(71%)
+
3RA_B_4
QMean=0.500
P1
:
(3 Cplx.)
RUN2
pKi= 5.2
234
6.4
2.1
103905269
3RAW
(71%)
+
3RA_B_4
QMean=0.500
P1
:
(3 Cplx.)
RUN1
pKi= 5.2
235
6.5
2.1
103904215
3LLT
(37%)
+
ANP_A_4
QMean=0.424
P1
:
(6 Cplx.)
RUN0
pKi= 6.4
236
5.9
2.1
103904797
3RAW
(71%)
+
3RA_B_4
QMean=0.500
P1
:
(4 Cplx.)
RUN2
pKi= 5.3
237
8.2
2.1
103904358
2WU7
(71%)
+
V25_A_2
QMean=0.520
P1
:
(3 Cplx.)
RUN2
pKi= 5.6
238
6.6
2.1
103904735
2WU7
(71%)
+
V25_A_2
QMean=0.520
P1
:
(4 Cplx.)
RUN0
pKi= 7.2
239
7.6
2.1
103904746
3RAW
(71%)
+
3RA_B_4
QMean=0.500
P1
:
(4 Cplx.)
RUN1
pKi= 6.2
240
5.9
2.1
103905461
3RAW
(71%)
+
3RA_B_4
QMean=0.500
P1
:
(3 Cplx.)
RUN0
pKi= 4.3
241
6.3
2.1
103904971
1Z57
(66%)
+
DBQ_A_2
QMean=0.494
P1
:
(4 Cplx.)
RUN2
pKi= 5.5
242
6.4
2.1
103904886
3RAW
(71%)
+
3RA_B_4
QMean=0.500
P1
:
(5 Cplx.)
RUN1
pKi= 5.3
243
7.9
2.1
103905531
3NR9
(99%)
+
NR9_B_5
QMean=0.513
P1
:
(5 Cplx.)
RUN1
pKi= 7.7
244
4.4
2.1
103904442
3RAW
(71%)
+
3RA_B_4
QMean=0.500
P1
:
(3 Cplx.)
RUN0
pKi= 4.8
245
8.1
2.1
103904304
2WU7
(71%)
+
V25_A_2
QMean=0.520
P1
:
(3 Cplx.)
RUN2
pKi= 5.5
246
6.8
2.1
103904649
1Z57
(66%)
+
DBQ_A_2
QMean=0.494
P1
:
(3 Cplx.)
RUN1
pKi= 8.3
247
6.5
2.1
103904510
3NR9
(99%)
+
NR9_B_5
QMean=0.513
P1
:
(3 Cplx.)
RUN2
pKi= 7.1
248
6.8
2.1
103904970
3RAW
(71%)
+
3RA_B_4
QMean=0.500
P1
:
(3 Cplx.)
RUN0
pKi= 5.2
249
6.5
2.1
103905637
3RAW
(71%)
+
3RA_B_4
QMean=0.500
P1
:
(3 Cplx.)
RUN1
pKi= 5.1
250
8.2
2.1
103905531
3NR9
(99%)
+
NR9_B_5
QMean=0.513
P1
:
(5 Cplx.)
RUN2
pKi= 7.7
251
6.8
2.1
103905590
3RAW
(71%)
+
3RA_B_4
QMean=0.500
P1
:
(3 Cplx.)
RUN1
pKi= 5.7
252
7.6
2.1
103904218
3RAW
(71%)
+
3RA_B_4
QMean=0.500
P1
:
(3 Cplx.)
RUN0
pKi= 7.5
253
7.0
2.1
103904472
3RAW
(71%)
+
3RA_B_4
QMean=0.500
P1
:
(3 Cplx.)
RUN2
pKi= 5.6
254
7.4
2.1
103904333
3RAW
(71%)
+
3RA_B_4
QMean=0.500
P1
:
(4 Cplx.)
RUN0
pKi= 5.7
255
7.4
2.1
103904459
1Z57
(66%)
+
DBQ_A_2
QMean=0.494
P1
:
(3 Cplx.)
RUN2
pKi= 6
256
8.2
2.1
103904232
3NR9
(99%)
+
NR9_B_5
QMean=0.513
P1
:
(3 Cplx.)
RUN1
pKi= 7.8
257
8.3
2.1
103904226
3RAW
(71%)
+
3RA_B_4
QMean=0.500
P1
:
(5 Cplx.)
RUN0
pKi= 7.3
258
7.3
2.1
103904682
3ZDU
(28%)
+
38R_A_2
QMean=0.487
P1
:
(3 Cplx.)
RUN1
pKi= 6.3
259
6.6
2.1
103904510
3NR9
(99%)
+
NR9_B_5
QMean=0.513
P1
:
(3 Cplx.)
RUN0
pKi= 7.1
260
5.6
2.1
103905550
3NR9
(99%)
+
NR9_B_5
QMean=0.513
P1
:
(3 Cplx.)
RUN0
pKi= 5.3
261
5.2
2.1
103905188
1Z57
(66%)
+
DBQ_A_2
QMean=0.494
P1
:
(3 Cplx.)
RUN1
pKi= 5.5
262
5.6
2.1
103904797
3RAW
(71%)
+
3RA_B_4
QMean=0.500
P1
:
(4 Cplx.)
RUN1
pKi= 5.3
263
6.8
2.2
103904517
1Z57
(66%)
+
DBQ_A_2
QMean=0.494
P1
:
(5 Cplx.)
RUN0
pKi= 6.2
264
6.5
2.2
103904786
2WU7
(71%)
+
V25_A_2
QMean=0.520
P1
:
(4 Cplx.)
RUN0
pKi= 5.6
265
5.0
2.2
103904889
3NR9
(99%)
+
NR9_B_5
QMean=0.513
P1
:
(3 Cplx.)
RUN1
pKi= 5.5
266
6.8
2.2
103905270
3RAW
(71%)
+
3RA_B_4
QMean=0.500
P1
:
(3 Cplx.)
RUN1
pKi= 5.2
267
8.0
2.2
103905355
3NR9
(99%)
+
NR9_B_5
QMean=0.513
P1
:
(3 Cplx.)
RUN2
pKi= 6.2
268
8.0
2.2
103905577
3LLT
(37%)
+
ANP_A_4
QMean=0.424
P1
:
(5 Cplx.)
RUN2
pKi= 5.4
269
6.9
2.2
103904614
1Z57
(66%)
+
DBQ_A_2
QMean=0.494
P1
:
(3 Cplx.)
RUN2
pKi= 6.7
270
6.0
2.2
103905449
3RAW
(71%)
+
3RA_B_4
QMean=0.500
P1
:
(3 Cplx.)
RUN1
pKi= 5.3
271
6.2
2.2
103904736
3LLT
(37%)
+
ANP_A_4
QMean=0.424
P1
:
(4 Cplx.)
RUN1
pKi= 7
272
8.1
2.2
103904195
3ZDU
(28%)
+
38R_A_2
QMean=0.487
P2
:
(3 Cplx.)
RUN0
pKi= 7.4
273
6.9
2.2
103904966
3RAW
(71%)
+
3RA_B_4
QMean=0.500
P1
:
(5 Cplx.)
RUN1
pKi= 6
274
7.5
2.2
103904349
1Z57
(66%)
+
DBQ_A_2
QMean=0.494
P1
:
(4 Cplx.)
RUN2
pKi= 6.4
275
7.2
2.2
103905253
3RAW
(71%)
+
3RA_B_4
QMean=0.500
P1
:
(3 Cplx.)
RUN1
pKi= 5.9
276
7.8
2.2
103905251
3RAW
(71%)
+
3RA_B_4
QMean=0.500
P1
:
(3 Cplx.)
RUN1
pKi= 6.7
277
8.0
2.2
103905355
3NR9
(99%)
+
NR9_B_5
QMean=0.513
P1
:
(3 Cplx.)
RUN0
pKi= 6.2
278
7.4
2.2
103904564
2WU7
(71%)
+
V25_A_2
QMean=0.520
P1
:
(5 Cplx.)
RUN2
pKi= 6.6
279
7.2
2.2
103904614
2WU7
(71%)
+
V25_A_2
QMean=0.520
P1
:
(3 Cplx.)
RUN0
pKi= 6.7
280
6.9
2.2
103904208
1Z57
(66%)
+
DBQ_A_2
QMean=0.494
P1
:
(6 Cplx.)
RUN0
pKi= 7.8
281
4.2
2.2
103905297
3RAW
(71%)
+
3RA_B_4
QMean=0.500
P1
:
(3 Cplx.)
RUN1
pKi= 4.3
282
6.2
2.2
103905212
2WU7
(71%)
+
V25_A_2
QMean=0.520
P1
:
(5 Cplx.)
RUN1
pKi= 5.9
283
7.1
2.2
103905372
3LLT
(37%)
+
ANP_A_4
QMean=0.424
P1
:
(3 Cplx.)
RUN1
pKi= 6.3
284
6.8
2.2
103904346
1Z57
(66%)
+
DBQ_A_2
QMean=0.494
P1
:
(3 Cplx.)
RUN1
pKi= 5.2
285
8.3
2.2
103904231
1Z57
(66%)
+
DBQ_A_2
QMean=0.494
P1
:
(3 Cplx.)
RUN1
pKi= 8.5
286
8.1
2.2
103905076
3NR9
(99%)
+
NR9_B_5
QMean=0.513
P1
:
(4 Cplx.)
RUN0
pKi= 6.4
287
7.9
2.2
103905660
3RAW
(71%)
+
3RA_B_4
QMean=0.500
P1
:
(3 Cplx.)
RUN2
pKi= 6.5
288
6.4
2.2
103904809
3RAW
(71%)
+
3RA_B_4
QMean=0.500
P1
:
(5 Cplx.)
RUN1
pKi= 5.2
289
7.4
2.2
103904782
3LLT
(37%)
+
ANP_A_4
QMean=0.424
P1
:
(3 Cplx.)
RUN1
pKi= 6
290
8.7
2.2
103904513
3NR9
(99%)
+
NR9_B_5
QMean=0.513
P1
:
(4 Cplx.)
RUN2
pKi= 6.9
291
6.7
2.2
103904234
1Z57
(66%)
+
DBQ_A_2
QMean=0.494
P1
:
(6 Cplx.)
RUN0
pKi= 8.4
292
5.1
2.2
103905508
1Z57
(66%)
+
DBQ_A_2
QMean=0.494
P1
:
(4 Cplx.)
RUN1
pKi= 5.3
293
5.9
2.2
103904234
1Z57
(66%)
+
DBQ_A_2
QMean=0.494
P1
:
(3 Cplx.)
RUN1
pKi= 8.4
294
6.6
2.2
103904192
3NR9
(99%)
+
NR9_B_5
QMean=0.513
P1
:
(3 Cplx.)
RUN1
pKi= 8.4
295
8.3
2.2
103905354
3RAW
(71%)
+
3RA_B_4
QMean=0.500
P1
:
(3 Cplx.)
RUN2
pKi= 7.1
296
6.6
2.2
103904614
1Z57
(66%)
+
DBQ_A_2
QMean=0.494
P1
:
(3 Cplx.)
RUN1
pKi= 6.7
297
7.5
2.2
103904649
2WU7
(71%)
+
V25_A_2
QMean=0.520
P1
:
(3 Cplx.)
RUN2
pKi= 8.3
298
6.9
2.2
103904403
3NR9
(99%)
+
NR9_B_5
QMean=0.513
P1
:
(3 Cplx.)
RUN0
pKi= 6.3
299
6.8
2.2
103904888
3ZDU
(28%)
+
38R_A_2
QMean=0.487
P1
:
(4 Cplx.)
RUN2
pKi= 6.1
300
7.7
2.2
103904677
3RAW
(71%)
+
3RA_B_4
QMean=0.500
P1
:
(3 Cplx.)
RUN1
pKi= 6.4
301
7.4
2.2
103904593
3RAW
(71%)
+
3RA_B_4
QMean=0.500
P2
:
(3 Cplx.)
RUN0
pKi= 6.8
302
7.4
2.2
103904502
3RAW
(71%)
+
3RA_B_4
QMean=0.500
P1
:
(6 Cplx.)
RUN0
pKi= 7.9
303
7.8
2.2
103904758
2WU7
(71%)
+
V25_A_2
QMean=0.520
P1
:
(3 Cplx.)
RUN2
pKi= 6.3
304
6.8
2.2
103904207
2WU7
(71%)
+
V25_A_2
QMean=0.520
P1
:
(5 Cplx.)
RUN1
pKi= 6.2
305
8.7
2.3
103904522
3NR9
(99%)
+
NR9_B_5
QMean=0.513
P1
:
(3 Cplx.)
RUN0
pKi= 7.5
306
8.2
2.3
103905577
3ZDU
(28%)
+
38R_A_2
QMean=0.487
P1
:
(5 Cplx.)
RUN0
pKi= 5.4
307
8.5
2.3
103905354
3LLT
(37%)
+
ANP_A_4
QMean=0.424
P1
:
(5 Cplx.)
RUN0
pKi= 7.1
308
7.7
2.3
103904196
1Z57
(66%)
+
DBQ_A_2
QMean=0.494
P1
:
(3 Cplx.)
RUN2
pKi= 5.8
309
8.3
2.3
103904521
1Z57
(66%)
+
DBQ_A_2
QMean=0.494
P1
:
(4 Cplx.)
RUN1
pKi= 6.7
310
7.1
2.3
103904509
3RAW
(71%)
+
3RA_B_4
QMean=0.500
P1
:
(3 Cplx.)
RUN2
pKi= 7.9
311
7.5
2.3
103905355
3LLT
(37%)
+
ANP_A_4
QMean=0.424
P1
:
(4 Cplx.)
RUN1
pKi= 6.2
312
6.1
2.3
103904963
1Z57
(66%)
+
DBQ_A_2
QMean=0.494
P1
:
(6 Cplx.)
RUN0
pKi= 5.2
313
8.0
2.3
103904222
2WU7
(71%)
+
V25_A_2
QMean=0.520
P1
:
(4 Cplx.)
RUN0
pKi= 7.4
314
7.0
2.3
103904965
3RAW
(71%)
+
3RA_B_4
QMean=0.500
P1
:
(3 Cplx.)
RUN2
pKi= 5.9
315
8.4
2.3
103904592
3RAW
(71%)
+
3RA_B_4
QMean=0.500
P1
:
(3 Cplx.)
RUN0
pKi= 7.8
316
7.5
2.3
103904560
2WU7
(71%)
+
V25_A_2
QMean=0.520
P1
:
(5 Cplx.)
RUN1
pKi= 5.4
317
7.8
2.3
103904595
1Z57
(66%)
+
DBQ_A_2
QMean=0.494
P1
:
(3 Cplx.)
RUN0
pKi= 7.5
318
7.7
2.3
103904219
2WU7
(71%)
+
V25_A_2
QMean=0.520
P1
:
(3 Cplx.)
RUN1
pKi= 7.5
319
5.1
2.3
103905559
3RAW
(71%)
+
3RA_B_4
QMean=0.500
P1
:
(3 Cplx.)
RUN2
pKi= 5.7
320
7.9
2.3
103904744
2WU7
(71%)
+
V25_A_2
QMean=0.520
P1
:
(4 Cplx.)
RUN1
pKi= 5.3
321
8.6
2.3
103904356
2WU7
(71%)
+
V25_A_2
QMean=0.520
P1
:
(4 Cplx.)
RUN2
pKi= 5.7
322
7.7
2.3
103904485
3RAW
(71%)
+
3RA_B_4
QMean=0.500
P1
:
(3 Cplx.)
RUN0
pKi= 6.3
323
6.3
2.3
103904482
2WU7
(71%)
+
V25_A_2
QMean=0.520
P1
:
(3 Cplx.)
RUN2
pKi= 6.8
324
6.8
2.3
103904520
3ZDU
(28%)
+
38R_A_2
QMean=0.487
P1
:
(3 Cplx.)
RUN0
pKi= 6.5
325
7.6
2.3
103905231
3RAW
(71%)
+
3RA_B_4
QMean=0.500
P1
:
(3 Cplx.)
RUN0
pKi= 6.9
326
8.1
2.3
103904603
3LLT
(37%)
+
ANP_A_4
QMean=0.424
P1
:
(3 Cplx.)
RUN2
pKi= 5.7
327
5.9
2.3
103904874
3RAW
(71%)
+
3RA_B_4
QMean=0.500
P1
:
(3 Cplx.)
RUN1
pKi= 5.5
328
5.3
2.3
103905550
3NR9
(99%)
+
NR9_B_5
QMean=0.513
P1
:
(3 Cplx.)
RUN1
pKi= 5.3
329
7.4
2.3
103905079
2WU7
(71%)
+
V25_A_2
QMean=0.520
P1
:
(4 Cplx.)
RUN2
pKi= 6.6
330
8.0
2.3
103904616
1Z57
(66%)
+
DBQ_A_2
QMean=0.494
P1
:
(3 Cplx.)
RUN0
pKi= 5.5
331
6.6
2.4
103904482
3LLT
(37%)
+
ANP_A_4
QMean=0.424
P1
:
(6 Cplx.)
RUN0
pKi= 6.8
332
7.4
2.4
103904516
1Z57
(66%)
+
DBQ_A_2
QMean=0.494
P1
:
(4 Cplx.)
RUN1
pKi= 5.4
333
8.3
2.4
103905251
3NR9
(99%)
+
NR9_B_5
QMean=0.513
P1
:
(3 Cplx.)
RUN2
pKi= 6.7
334
6.5
2.4
103904906
3NR9
(99%)
+
NR9_B_5
QMean=0.513
P1
:
(3 Cplx.)
RUN1
pKi= 6.5
335
7.1
2.4
103904818
3LLT
(37%)
+
ANP_A_4
QMean=0.424
P1
:
(3 Cplx.)
RUN1
pKi= 8.3
336
6.8
2.4
103904405
3NR9
(99%)
+
NR9_B_5
QMean=0.513
P1
:
(3 Cplx.)
RUN0
pKi= 7.3
337
4.9
2.4
103905040
1Z57
(66%)
+
DBQ_A_2
QMean=0.494
P2
:
(3 Cplx.)
RUN1
pKi= 4.8
338
7.8
2.4
103905080
2WU7
(71%)
+
V25_A_2
QMean=0.520
P1
:
(4 Cplx.)
RUN1
pKi= 5.7
339
6.9
2.4
103904971
2WU7
(71%)
+
V25_A_2
QMean=0.520
P1
:
(6 Cplx.)
RUN0
pKi= 5.5
340
6.0
2.4
103904783
3NR9
(99%)
+
NR9_B_5
QMean=0.513
P1
:
(3 Cplx.)
RUN1
pKi= 5.4
341
7.8
2.4
103905213
3LLT
(37%)
+
ANP_A_4
QMean=0.424
P1
:
(3 Cplx.)
RUN2
pKi= 5.4
342
7.8
2.4
103904529
2WU7
(71%)
+
V25_A_2
QMean=0.520
P1
:
(4 Cplx.)
RUN0
pKi= 6.2
343
7.4
2.4
103904212
3RAW
(71%)
+
3RA_B_4
QMean=0.500
P1
:
(6 Cplx.)
RUN0
pKi= 6.7
344
6.7
2.4
103905607
2WU7
(71%)
+
V25_A_2
QMean=0.520
P1
:
(5 Cplx.)
RUN2
pKi= 5.6
345
6.5
2.4
103905493
1Z57
(66%)
+
DBQ_A_2
QMean=0.494
P1
:
(3 Cplx.)
RUN0
pKi= 5.2
346
6.2
2.4
103905309
3RAW
(71%)
+
3RA_B_4
QMean=0.500
P1
:
(3 Cplx.)
RUN0
pKi= 6
347
7.8
2.4
103904466
2WU7
(71%)
+
V25_A_2
QMean=0.520
P1
:
(4 Cplx.)
RUN0
pKi= 6.6
348
4.7
2.4
103905580
3RAW
(71%)
+
3RA_B_4
QMean=0.500
P1
:
(3 Cplx.)
RUN1
pKi= 4
349
8.4
2.4
103904231
2WU7
(71%)
+
V25_A_2
QMean=0.520
P1
:
(5 Cplx.)
RUN0
pKi= 8.5
350
6.7
2.4
103904890
3RAW
(71%)
+
3RA_B_4
QMean=0.500
P1
:
(4 Cplx.)
RUN2
pKi= 6.2
351
7.5
2.4
103905356
3LLT
(37%)
+
ANP_A_4
QMean=0.424
P1
:
(3 Cplx.)
RUN2
pKi= 6
352
7.4
2.4
103904459
3RAW
(71%)
+
3RA_B_4
QMean=0.500
P1
:
(3 Cplx.)
RUN0
pKi= 6
353
6.6
2.4
103905084
3LLT
(37%)
+
ANP_A_4
QMean=0.424
P1
:
(6 Cplx.)
RUN1
pKi= 6.1
354
6.8
2.4
103904888
3ZDU
(28%)
+
38R_A_2
QMean=0.487
P1
:
(5 Cplx.)
RUN0
pKi= 6.1
355
8.3
2.4
103904232
3RAW
(71%)
+
3RA_B_4
QMean=0.500
P1
:
(3 Cplx.)
RUN0
pKi= 7.8
356
6.4
2.4
103905676
3ZDU
(28%)
+
38R_A_2
QMean=0.487
P1
:
(3 Cplx.)
RUN0
pKi= 5.6
357
7.1
2.4
103904465
3LLT
(37%)
+
ANP_A_4
QMean=0.424
P1
:
(3 Cplx.)
RUN0
pKi= 6.5
358
8.4
2.4
103904358
2WU7
(71%)
+
V25_A_2
QMean=0.520
P1
:
(4 Cplx.)
RUN0
pKi= 5.6
359
7.7
2.4
103904564
3LLT
(37%)
+
ANP_A_4
QMean=0.424
P1
:
(4 Cplx.)
RUN0
pKi= 6.6
360
8.6
2.4
103905298
2WU7
(71%)
+
V25_A_2
QMean=0.520
P1
:
(4 Cplx.)
RUN1
pKi= 5.1
361
7.2
2.4
103904605
1Z57
(66%)
+
DBQ_A_2
QMean=0.494
P1
:
(3 Cplx.)
RUN0
pKi= 8.4
362
6.9
2.4
103905260
2WU7
(71%)
+
V25_A_2
QMean=0.520
P1
:
(3 Cplx.)
RUN1
pKi= 5.9
363
7.8
2.4
103904856
1Z57
(66%)
+
DBQ_A_2
QMean=0.494
P1
:
(3 Cplx.)
RUN0
pKi= 5.6
364
7.8
2.4
103904638
3NR9
(99%)
+
NR9_B_5
QMean=0.513
P1
:
(3 Cplx.)
RUN2
pKi= 6.3
365
7.6
2.4
103904649
2WU7
(71%)
+
V25_A_2
QMean=0.520
P1
:
(6 Cplx.)
RUN0
pKi= 8.3
366
6.3
2.4
103905536
1Z57
(66%)
+
DBQ_A_2
QMean=0.494
P1
:
(4 Cplx.)
RUN2
pKi= 6.6
367
7.3
2.4
103904807
3RAW
(71%)
+
3RA_B_4
QMean=0.500
P1
:
(4 Cplx.)
RUN1
pKi= 5.5
368
7.9
2.4
103905219
2WU7
(71%)
+
V25_A_2
QMean=0.520
P1
:
(4 Cplx.)
RUN1
pKi= 6.3
369
6.7
2.4
103904240
3LLT
(37%)
+
ANP_A_4
QMean=0.424
P1
:
(4 Cplx.)
RUN1
pKi= 6.2
370
7.0
2.4
103904472
1Z57
(66%)
+
DBQ_A_2
QMean=0.494
P1
:
(3 Cplx.)
RUN1
pKi= 5.6
371
6.5
2.4
103904487
2WU7
(71%)
+
V25_A_2
QMean=0.520
P1
:
(3 Cplx.)
RUN0
pKi= 5.5
372
7.6
2.4
103904203
1Z57
(66%)
+
DBQ_A_2
QMean=0.494
P1
:
(3 Cplx.)
RUN0
pKi= 8.3
373
7.2
2.4
103904908
3NR9
(99%)
+
NR9_B_5
QMean=0.513
P1
:
(3 Cplx.)
RUN1
pKi= 5.7
374
6.9
2.4
103904545
3RAW
(71%)
+
3RA_B_4
QMean=0.500
P1
:
(5 Cplx.)
RUN0
pKi= 5.7
375
7.2
2.4
103905371
3LLT
(37%)
+
ANP_A_4
QMean=0.424
P1
:
(4 Cplx.)
RUN2
pKi= 5.8
376
6.8
2.4
103905565
3NR9
(99%)
+
NR9_B_5
QMean=0.513
P1
:
(4 Cplx.)
RUN2
pKi= 6.1
377
6.7
2.4
103905326
3NR9
(99%)
+
NR9_B_5
QMean=0.513
P1
:
(3 Cplx.)
RUN2
pKi= 5.6
378
7.9
2.4
103905356
3LLT
(37%)
+
ANP_A_4
QMean=0.424
P1
:
(3 Cplx.)
RUN0
pKi= 6
379
7.1
2.4
103905409
3NR9
(99%)
+
NR9_B_5
QMean=0.513
P1
:
(4 Cplx.)
RUN0
pKi= 7.1
380
5.9
2.5
103904809
3NR9
(99%)
+
NR9_B_5
QMean=0.513
P1
:
(3 Cplx.)
RUN2
pKi= 5.2
381
6.2
2.5
103904405
2WU7
(71%)
+
V25_A_2
QMean=0.520
P1
:
(3 Cplx.)
RUN1
pKi= 7.3
382
6.0
2.5
103904555
3RAW
(71%)
+
3RA_B_4
QMean=0.500
P1
:
(3 Cplx.)
RUN2
pKi= 5.8
383
5.3
2.5
103904506
3LLT
(37%)
+
ANP_A_4
QMean=0.424
P1
:
(4 Cplx.)
RUN1
pKi= 6
384
6.7
2.5
103905107
2WU7
(71%)
+
V25_A_2
QMean=0.520
P1
:
(5 Cplx.)
RUN2
pKi= 6.3
385
7.9
2.5
103905165
1Z57
(66%)
+
DBQ_A_2
QMean=0.494
P1
:
(3 Cplx.)
RUN0
pKi= 5.8
386
5.5
2.5
103905188
3LLT
(37%)
+
ANP_A_4
QMean=0.424
P2
:
(3 Cplx.)
RUN0
pKi= 5.5
387
8.1
2.5
103905354
3LLT
(37%)
+
ANP_A_4
QMean=0.424
P1
:
(4 Cplx.)
RUN1
pKi= 7.1
388
6.4
2.5
103905669
2WU7
(71%)
+
V25_A_2
QMean=0.520
P1
:
(4 Cplx.)
RUN1
pKi= 6
389
6.0
2.5
103905675
3ZDU
(28%)
+
38R_A_2
QMean=0.487
P1
:
(4 Cplx.)
RUN0
pKi= 6.2
390
5.1
2.5
103905203
3RAW
(71%)
+
3RA_B_4
QMean=0.500
P1
:
(3 Cplx.)
RUN1
pKi= 4.2
391
6.2
2.5
103904963
3LLT
(37%)
+
ANP_A_4
QMean=0.424
P1
:
(5 Cplx.)
RUN1
pKi= 5.2
392
7.5
2.5
103904361
3LLT
(37%)
+
ANP_A_4
QMean=0.424
P1
:
(3 Cplx.)
RUN2
pKi= 6
393
7.2
2.5
103905004
3RAW
(71%)
+
3RA_B_4
QMean=0.500
P1
:
(5 Cplx.)
RUN0
pKi= 6.1
394
6.9
2.5
103904294
3LLT
(37%)
+
ANP_A_4
QMean=0.424
P1
:
(3 Cplx.)
RUN2
pKi= 6
395
6.8
2.5
103905450
3LLT
(37%)
+
ANP_A_4
QMean=0.424
P1
:
(6 Cplx.)
RUN0
pKi= 5.3
396
6.2
2.5
103905029
2WU7
(71%)
+
V25_A_2
QMean=0.520
P1
:
(3 Cplx.)
RUN1
pKi= 5.7
397
7.1
2.5
103905492
2WU7
(71%)
+
V25_A_2
QMean=0.520
P1
:
(4 Cplx.)
RUN0
pKi= 6.3
398
4.2
2.5
103905040
2WU7
(71%)
+
V25_A_2
QMean=0.520
P1
:
(3 Cplx.)
RUN2
pKi= 4.8
399
7.8
2.5
103905276
2WU7
(71%)
+
V25_A_2
QMean=0.520
P1
:
(3 Cplx.)
RUN1
pKi= 5.8
400
6.6
2.5
103905493
1Z57
(66%)
+
DBQ_A_2
QMean=0.494
P1
:
(3 Cplx.)
RUN1
pKi= 5.2
401
7.6
2.5
103905356
2WU7
(71%)
+
V25_A_2
QMean=0.520
P1
:
(5 Cplx.)
RUN1
pKi= 6
402
6.9
2.5
103905409
3NR9
(99%)
+
NR9_B_5
QMean=0.513
P1
:
(3 Cplx.)
RUN1
pKi= 7.1
Correlation coefficient (Pearson) between mesured and calculated pKd: R=0.49
Action on selected entries :
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