Screening Results : Docking based on all models from entry : FRK_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
103904191
103904192
103904193
103904194
103904195
103904196
103904202
103904203
103904206
103904212
103904213
103904215
103904216
103904272
103904275
103904276
103904277
103904278
103904280
103904281
103904283
103904284
103904286
103904287
103904288
103904289
103904290
103904291
103904292
103904293
103904294
103904295
103904296
103904315
103904317
103904318
103904319
103904320
103904322
103904326
103904329
103904330
103904332
103904333
103904334
103904335
103904336
103904338
103904339
103904340
103904341
103904342
103904346
103904347
103904348
103904350
103904351
103904354
103904357
103904359
103904360
103904361
103904362
103904365
103904366
103904368
103904379
103904402
103904403
103904410
103904411
103904417
103904419
103904420
103904443
103904452
103904464
103904465
103904466
103904502
103904505
103904510
103904511
103904513
103904514
103904591
103904592
103904593
103904594
103904596
103904598
103904600
103904601
103904603
103904604
103904610
103904649
103904657
103904712
103904739
103904741
103904754
103904758
103904763
103904766
103904770
103904772
103904783
103904784
103904787
103904788
103904796
103904806
103904819
103904847
103904856
103904857
103904873
103904882
103904904
103904906
103904953
103904958
103904984
103904985
103904987
103904988
103904989
103904993
103905024
103905026
103905027
103905034
103905045
103905055
103905062
103905065
103905084
103905091
103905092
103905095
103905096
103905112
103905113
103905114
103905117
103905140
103905170
103905180
103905182
103905184
103905197
103905219
103905238
103905245
103905247
103905250
103905251
103905254
103905255
103905309
103905315
103905339
103905340
103905343
103905344
103905354
103905410
103905424
103905443
103905448
103905455
103905463
103905464
103905465
103905472
103905488
103905497
103905525
103905540
103905548
103905558
103905563
103905575
103905577
103905579
103905586
103905590
103905593
103905596
103905598
103905603
103905607
103905608
103905622
103905632
103905649
103905670
103905675
103905684
Complex support
[Template
(Ident)
+ Anchor]
Model Quality
(QMean)
Position of Lig.
Study
Measure
1
10.2
2.2
103904784
3F3U
(55%)
+
1AW_A_3
QMean=0.542
P1
:
(7 Cplx.)
RUN1
pKi= 9
2
10.4
2.1
103904784
3TZ9
(55%)
+
AQU_A_3
QMean=0.544
P1
:
(6 Cplx.)
RUN0
pKi= 9
3
9.8
1.6
103904784
3TZ7
(55%)
+
AQB_B_4
QMean=0.512
P1
:
(7 Cplx.)
RUN2
pKi= 9
4
9.3
1.8
103904272
3TZ7
(55%)
+
AQB_B_4
QMean=0.512
P1
:
(8 Cplx.)
RUN1
pKi= 8.7
5
9.6
1.8
103904272
3TZ9
(55%)
+
AQU_A_3
QMean=0.544
P1
:
(9 Cplx.)
RUN2
pKi= 8.7
6
9.8
1.8
103904272
3TZ9
(55%)
+
AQU_A_3
QMean=0.544
P1
:
(7 Cplx.)
RUN0
pKi= 8.7
7
8.4
1.6
103904741
3G6G
(55%)
+
G6G_A_3
QMean=0.562
P1
:
(6 Cplx.)
RUN1
pKi= 8.7
8
8.1
1.2
103904741
3TZ8
(55%)
+
AQM_A_3
QMean=0.537
P1
:
(8 Cplx.)
RUN2
pKi= 8.7
9
8.8
1.6
103904366
3F3U
(55%)
+
1AW_A_3
QMean=0.542
P1
:
(10 Cplx.)
RUN1
pKi= 8.6
10
10.2
1.4
103904292
3F3V
(55%)
+
1BU_B_4
QMean=0.477
P1
:
(9 Cplx.)
RUN1
pKi= 8.6
11
9.3
1.1
103904366
3TZ8
(55%)
+
AQM_A_3
QMean=0.537
P1
:
(8 Cplx.)
RUN0
pKi= 8.6
12
9.3
1.5
103904292
3TZ8
(55%)
+
AQM_A_3
QMean=0.537
P1
:
(5 Cplx.)
RUN2
pKi= 8.6
13
9.2
1.4
103904366
3TZ9
(55%)
+
AQU_A_3
QMean=0.544
P1
:
(12 Cplx.)
RUN2
pKi= 8.6
14
10.3
1.5
103904293
3F3V
(55%)
+
1BU_B_4
QMean=0.477
P1
:
(7 Cplx.)
RUN1
pKi= 8.5
15
7.3
2.0
103904196
3UQF
(55%)
+
BK5_B_4
QMean=0.542
P1
:
(9 Cplx.)
RUN1
pKi= 8.5
16
7.9
2.2
103904796
3GEN
(43%)
+
B43_A_2
QMean=0.521
P1
:
(4 Cplx.)
RUN0
pKi= 8.5
17
6.9
2.3
103904783
3OEZ
(55%)
+
STI_B_6
QMean=0.541
P1
:
(13 Cplx.)
RUN1
pKi= 8.5
18
7.7
2.4
103904796
3TZ8
(55%)
+
AQM_A_3
QMean=0.537
P1
:
(6 Cplx.)
RUN1
pKi= 8.5
19
7.5
2.0
103904196
3UQF
(55%)
+
BK5_B_4
QMean=0.542
P1
:
(9 Cplx.)
RUN2
pKi= 8.5
20
6.8
2.0
103904783
3OEZ
(55%)
+
STI_B_6
QMean=0.541
P1
:
(10 Cplx.)
RUN2
pKi= 8.5
21
9.5
1.4
103904293
3TZ8
(55%)
+
AQM_A_3
QMean=0.537
P1
:
(5 Cplx.)
RUN2
pKi= 8.5
22
7.5
1.8
103905455
3G6G
(55%)
+
G6G_A_3
QMean=0.562
P1
:
(7 Cplx.)
RUN2
pKi= 8.4
23
10.3
1.4
103904354
3F3V
(55%)
+
1BU_B_4
QMean=0.477
P1
:
(6 Cplx.)
RUN1
pKi= 8.4
24
10.2
1.6
103904354
3OEZ
(55%)
+
STI_B_6
QMean=0.541
P1
:
(7 Cplx.)
RUN2
pKi= 8.4
25
10.2
1.8
103904354
3TZ9
(55%)
+
AQU_A_3
QMean=0.544
P1
:
(6 Cplx.)
RUN0
pKi= 8.4
26
8.5
2.0
103905455
3G6G
(55%)
+
G6G_A_3
QMean=0.562
P1
:
(6 Cplx.)
RUN1
pKi= 8.4
27
8.1
1.6
103904277
3TZ8
(55%)
+
AQM_A_3
QMean=0.537
P1
:
(7 Cplx.)
RUN2
pKi= 8.3
28
9.3
1.4
103904290
3F3V
(55%)
+
1BU_B_4
QMean=0.477
P1
:
(8 Cplx.)
RUN0
pKi= 8.3
29
8.3
2.1
103904277
3TZ8
(55%)
+
AQM_A_3
QMean=0.537
P1
:
(4 Cplx.)
RUN0
pKi= 8.3
30
9.8
1.5
103904320
3TZ8
(55%)
+
AQM_A_3
QMean=0.537
P1
:
(6 Cplx.)
RUN1
pKi= 8.3
31
9.5
1.6
103904290
3G6G
(55%)
+
G6G_A_3
QMean=0.562
P1
:
(11 Cplx.)
RUN2
pKi= 8.3
32
9.8
1.8
103904320
3OEZ
(55%)
+
STI_B_6
QMean=0.541
P1
:
(6 Cplx.)
RUN2
pKi= 8.3
33
9.6
1.0
103904290
3TZ8
(55%)
+
AQM_A_3
QMean=0.537
P1
:
(11 Cplx.)
RUN1
pKi= 8.3
34
9.0
1.2
103904277
3TZ8
(55%)
+
AQM_A_3
QMean=0.537
P1
:
(11 Cplx.)
RUN1
pKi= 8.3
35
9.9
1.6
103904320
3G6G
(55%)
+
G6G_A_3
QMean=0.562
P1
:
(6 Cplx.)
RUN0
pKi= 8.3
36
10.3
1.9
103904289
3OEZ
(55%)
+
STI_B_6
QMean=0.541
P1
:
(10 Cplx.)
RUN0
pKi= 8.2
37
9.0
1.7
103904326
3OEZ
(55%)
+
STI_B_6
QMean=0.541
P2
:
(3 Cplx.)
RUN2
pKi= 8.2
38
10.2
1.7
103904289
3TZ9
(55%)
+
AQU_A_3
QMean=0.544
P1
:
(12 Cplx.)
RUN1
pKi= 8.2
39
10.3
1.7
103904289
3OEZ
(55%)
+
STI_B_6
QMean=0.541
P1
:
(11 Cplx.)
RUN2
pKi= 8.2
40
5.9
1.8
103904417
3TZ7
(55%)
+
AQB_B_4
QMean=0.512
P1
:
(3 Cplx.)
RUN1
pKi= 8.2
41
10.3
1.1
103904326
3TZ8
(55%)
+
AQM_A_3
QMean=0.537
P2
:
(4 Cplx.)
RUN0
pKi= 8.2
42
10.1
1.3
103904326
3F3V
(55%)
+
1BU_B_4
QMean=0.477
P1
:
(8 Cplx.)
RUN1
pKi= 8.2
43
9.5
1.4
103904357
3TZ8
(55%)
+
AQM_A_3
QMean=0.537
P1
:
(12 Cplx.)
RUN2
pKi= 8.1
44
9.0
1.4
103904357
3TZ8
(55%)
+
AQM_A_3
QMean=0.537
P1
:
(10 Cplx.)
RUN1
pKi= 8.1
45
9.7
1.6
103904357
3TZ8
(55%)
+
AQM_A_3
QMean=0.537
P1
:
(11 Cplx.)
RUN0
pKi= 8.1
46
6.5
1.9
103904806
3F3U
(55%)
+
1AW_A_3
QMean=0.542
P1
:
(5 Cplx.)
RUN2
pKi= 8
47
8.1
2.1
103905251
4AGW
(55%)
+
NG7_A_3
QMean=0.543
P1
:
(5 Cplx.)
RUN1
pKi= 8
48
6.1
2.3
103904600
3F3U
(55%)
+
1AW_A_3
QMean=0.542
P1
:
(3 Cplx.)
RUN1
pKi= 7.9
49
7.1
2.2
103904600
3OEZ
(55%)
+
STI_B_6
QMean=0.541
P1
:
(3 Cplx.)
RUN2
pKi= 7.9
50
7.0
2.5
103905488
3OEZ
(55%)
+
STI_B_6
QMean=0.541
P1
:
(4 Cplx.)
RUN1
pKi= 7.9
51
6.8
2.0
103904592
3F3V
(55%)
+
1BU_B_4
QMean=0.477
P2
:
(3 Cplx.)
RUN2
pKi= 7.8
52
6.8
2.2
103905095
3F3V
(55%)
+
1BU_B_4
QMean=0.477
P1
:
(12 Cplx.)
RUN1
pKi= 7.8
53
7.8
2.1
103904318
3TZ8
(55%)
+
AQM_A_3
QMean=0.537
P1
:
(5 Cplx.)
RUN2
pKi= 7.8
54
10.0
1.5
103904318
3F3V
(55%)
+
1BU_B_4
QMean=0.477
P1
:
(10 Cplx.)
RUN1
pKi= 7.8
55
10.1
1.4
103904283
3TZ8
(55%)
+
AQM_A_3
QMean=0.537
P1
:
(5 Cplx.)
RUN0
pKi= 7.8
56
9.8
1.4
103904288
3TZ8
(55%)
+
AQM_A_3
QMean=0.537
P1
:
(11 Cplx.)
RUN2
pKi= 7.8
57
10.1
1.3
103904283
3F3V
(55%)
+
1BU_B_4
QMean=0.477
P1
:
(5 Cplx.)
RUN1
pKi= 7.8
58
8.5
2.2
103904318
3C1X
(36%)
+
CKK_A_2
QMean=0.494
P1
:
(4 Cplx.)
RUN0
pKi= 7.8
59
10.0
1.4
103904288
3TZ8
(55%)
+
AQM_A_3
QMean=0.537
P1
:
(11 Cplx.)
RUN0
pKi= 7.8
60
10.0
1.3
103904283
3TZ8
(55%)
+
AQM_A_3
QMean=0.537
P2
:
(4 Cplx.)
RUN2
pKi= 7.8
61
9.5
1.3
103904288
3TZ9
(55%)
+
AQU_A_3
QMean=0.544
P1
:
(11 Cplx.)
RUN1
pKi= 7.8
62
5.7
2.0
103904601
3G6G
(55%)
+
G6G_A_3
QMean=0.562
P1
:
(3 Cplx.)
RUN1
pKi= 7.7
63
8.7
1.2
103904335
3F3V
(55%)
+
1BU_B_4
QMean=0.477
P1
:
(10 Cplx.)
RUN1
pKi= 7.7
64
8.4
1.2
103904278
3TZ9
(55%)
+
AQU_A_3
QMean=0.544
P1
:
(7 Cplx.)
RUN2
pKi= 7.7
65
8.7
1.2
103904278
3TZ9
(55%)
+
AQU_A_3
QMean=0.544
P1
:
(12 Cplx.)
RUN1
pKi= 7.7
66
7.6
2.3
103904340
3G6G
(55%)
+
G6G_A_3
QMean=0.562
P1
:
(3 Cplx.)
RUN0
pKi= 7.7
67
8.0
1.6
103904278
3TZ8
(55%)
+
AQM_A_3
QMean=0.537
P1
:
(4 Cplx.)
RUN0
pKi= 7.7
68
8.7
1.3
103904346
3TZ8
(55%)
+
AQM_A_3
QMean=0.537
P1
:
(11 Cplx.)
RUN1
pKi= 7.7
69
9.1
1.1
103904340
3TZ9
(55%)
+
AQU_A_3
QMean=0.544
P1
:
(9 Cplx.)
RUN1
pKi= 7.7
70
9.4
1.5
103904335
3F3V
(55%)
+
1BU_B_4
QMean=0.477
P1
:
(6 Cplx.)
RUN0
pKi= 7.7
71
5.5
1.8
103904601
3F3U
(55%)
+
1AW_A_3
QMean=0.542
P1
:
(3 Cplx.)
RUN2
pKi= 7.7
72
5.5
1.8
103904346
3UQF
(55%)
+
BK5_B_4
QMean=0.542
P3
:
(3 Cplx.)
RUN2
pKi= 7.7
73
6.7
2.0
103904340
3UQF
(55%)
+
BK5_B_4
QMean=0.542
P3
:
(3 Cplx.)
RUN2
pKi= 7.7
74
8.8
1.5
103904335
3F3V
(55%)
+
1BU_B_4
QMean=0.477
P1
:
(8 Cplx.)
RUN2
pKi= 7.7
75
9.4
1.6
103904361
3G6G
(55%)
+
G6G_A_3
QMean=0.562
P1
:
(8 Cplx.)
RUN1
pKi= 7.6
76
10.4
1.8
103904993
3EL7
(55%)
+
PD3_A_2
QMean=0.544
P3
:
(3 Cplx.)
RUN0
pKi= 7.6
77
9.9
1.7
103904322
3TZ9
(55%)
+
AQU_A_3
QMean=0.544
P1
:
(6 Cplx.)
RUN0
pKi= 7.6
78
8.0
1.5
103904361
3G6G
(55%)
+
G6G_A_3
QMean=0.562
P1
:
(6 Cplx.)
RUN2
pKi= 7.6
79
4.4
2.4
103905117
3EL7
(55%)
+
PD3_A_2
QMean=0.544
P1
:
(7 Cplx.)
RUN1
pKi= 7.6
80
8.8
1.4
103904294
3F3V
(55%)
+
1BU_B_4
QMean=0.477
P1
:
(11 Cplx.)
RUN2
pKi= 7.6
81
10.3
1.7
103904993
3EL7
(55%)
+
PD3_A_2
QMean=0.544
P1
:
(7 Cplx.)
RUN2
pKi= 7.6
82
7.7
1.9
103904361
3OEZ
(55%)
+
STI_B_6
QMean=0.541
P3
:
(3 Cplx.)
RUN0
pKi= 7.6
83
9.9
1.8
103904322
3TZ9
(55%)
+
AQU_A_3
QMean=0.544
P1
:
(7 Cplx.)
RUN2
pKi= 7.6
84
9.7
1.6
103904315
3TZ8
(55%)
+
AQM_A_3
QMean=0.537
P1
:
(10 Cplx.)
RUN1
pKi= 7.6
85
8.9
1.4
103904294
3TZ9
(55%)
+
AQU_A_3
QMean=0.544
P1
:
(8 Cplx.)
RUN0
pKi= 7.6
86
8.1
2.5
103905622
3TZ9
(55%)
+
AQU_A_3
QMean=0.544
P1
:
(6 Cplx.)
RUN1
pKi= 7.6
87
8.5
2.1
103905622
3F3V
(55%)
+
1BU_B_4
QMean=0.477
P1
:
(5 Cplx.)
RUN0
pKi= 7.6
88
9.8
1.8
103904322
3F3V
(55%)
+
1BU_B_4
QMean=0.477
P1
:
(7 Cplx.)
RUN1
pKi= 7.6
89
6.6
2.3
103905622
3UQF
(55%)
+
BK5_B_4
QMean=0.542
P2
:
(3 Cplx.)
RUN2
pKi= 7.6
90
9.0
1.5
103904315
3TZ8
(55%)
+
AQM_A_3
QMean=0.537
P2
:
(3 Cplx.)
RUN0
pKi= 7.6
91
8.6
1.5
103904294
3TZ9
(55%)
+
AQU_A_3
QMean=0.544
P1
:
(9 Cplx.)
RUN1
pKi= 7.6
92
8.9
1.6
103904315
3TZ8
(55%)
+
AQM_A_3
QMean=0.537
P2
:
(4 Cplx.)
RUN2
pKi= 7.6
93
8.6
0.8
103904333
3TZ8
(55%)
+
AQM_A_3
QMean=0.537
P1
:
(12 Cplx.)
RUN1
pKi= 7.5
94
8.8
1.4
103904333
3TZ9
(55%)
+
AQU_A_3
QMean=0.544
P1
:
(6 Cplx.)
RUN0
pKi= 7.5
95
9.1
1.8
103904332
3TZ9
(55%)
+
AQU_A_3
QMean=0.544
P1
:
(10 Cplx.)
RUN1
pKi= 7.5
96
10.4
1.2
103904319
3TZ9
(55%)
+
AQU_A_3
QMean=0.544
P1
:
(8 Cplx.)
RUN1
pKi= 7.5
97
9.2
2.0
103904332
3TZ9
(55%)
+
AQU_A_3
QMean=0.544
P1
:
(7 Cplx.)
RUN2
pKi= 7.5
98
8.9
2.1
103904788
3TZ8
(55%)
+
AQM_A_3
QMean=0.537
P1
:
(6 Cplx.)
RUN1
pKi= 7.5
99
8.5
1.2
103904333
3TZ9
(55%)
+
AQU_A_3
QMean=0.544
P1
:
(8 Cplx.)
RUN2
pKi= 7.5
100
9.2
2.3
103904332
3TZ9
(55%)
+
AQU_A_3
QMean=0.544
P1
:
(8 Cplx.)
RUN0
pKi= 7.5
101
10.4
1.2
103904319
3TZ8
(55%)
+
AQM_A_3
QMean=0.537
P1
:
(6 Cplx.)
RUN0
pKi= 7.5
102
6.0
2.0
103904510
3OEZ
(55%)
+
STI_B_6
QMean=0.541
P1
:
(5 Cplx.)
RUN2
pKi= 7.5
103
5.4
2.0
103904510
3EN4
(55%)
+
KS1_B_4
QMean=0.565
P2
:
(3 Cplx.)
RUN1
pKi= 7.5
104
9.9
2.4
103904788
3G6G
(55%)
+
G6G_A_3
QMean=0.562
P1
:
(6 Cplx.)
RUN2
pKi= 7.5
105
6.2
2.5
103904510
3GEN
(43%)
+
B43_A_2
QMean=0.521
P1
:
(3 Cplx.)
RUN0
pKi= 7.5
106
5.2
2.0
103904604
3F3U
(55%)
+
1AW_A_3
QMean=0.542
P2
:
(3 Cplx.)
RUN1
pKi= 7.5
107
8.7
2.0
103904787
3QLF
(55%)
+
PD5_A_3
QMean=0.464
P1
:
(5 Cplx.)
RUN2
pKi= 7.5
108
10.0
1.6
103904319
3TZ9
(55%)
+
AQU_A_3
QMean=0.544
P1
:
(9 Cplx.)
RUN2
pKi= 7.5
109
8.9
2.1
103904787
3TZ8
(55%)
+
AQM_A_3
QMean=0.537
P1
:
(5 Cplx.)
RUN1
pKi= 7.5
110
9.2
1.5
103904336
3F3V
(55%)
+
1BU_B_4
QMean=0.477
P1
:
(12 Cplx.)
RUN1
pKi= 7.4
111
7.0
1.7
103905091
3F3V
(55%)
+
1BU_B_4
QMean=0.477
P1
:
(11 Cplx.)
RUN1
pKi= 7.4
112
8.2
1.5
103904359
3F3V
(55%)
+
1BU_B_4
QMean=0.477
P1
:
(10 Cplx.)
RUN2
pKi= 7.4
113
10.0
1.6
103904280
3G6G
(55%)
+
G6G_A_3
QMean=0.562
P1
:
(9 Cplx.)
RUN0
pKi= 7.4
114
5.6
1.5
103905579
3GEN
(43%)
+
B43_A_2
QMean=0.521
P1
:
(6 Cplx.)
RUN0
pKi= 7.4
115
8.3
1.8
103904336
3TZ9
(55%)
+
AQU_A_3
QMean=0.544
P1
:
(7 Cplx.)
RUN2
pKi= 7.4
116
7.0
2.5
103905091
3G6G
(55%)
+
G6G_A_3
QMean=0.562
P1
:
(14 Cplx.)
RUN2
pKi= 7.4
117
8.6
1.0
103904276
3TZ8
(55%)
+
AQM_A_3
QMean=0.537
P1
:
(9 Cplx.)
RUN2
pKi= 7.4
118
8.1
2.3
103904336
3OEZ
(55%)
+
STI_B_6
QMean=0.541
P2
:
(4 Cplx.)
RUN0
pKi= 7.4
119
6.3
2.4
103905558
3TZ8
(55%)
+
AQM_A_3
QMean=0.537
P1
:
(6 Cplx.)
RUN2
pKi= 7.4
120
7.4
2.4
103905250
3UQF
(55%)
+
BK5_B_4
QMean=0.542
P1
:
(3 Cplx.)
RUN2
pKi= 7.4
121
9.7
1.5
103904280
3TZ9
(55%)
+
AQU_A_3
QMean=0.544
P1
:
(9 Cplx.)
RUN2
pKi= 7.4
122
9.8
1.2
103904280
3TZ9
(55%)
+
AQU_A_3
QMean=0.544
P1
:
(7 Cplx.)
RUN1
pKi= 7.4
123
8.4
1.6
103904276
3TZ9
(55%)
+
AQU_A_3
QMean=0.544
P1
:
(9 Cplx.)
RUN0
pKi= 7.4
124
8.5
1.2
103904276
3TZ8
(55%)
+
AQM_A_3
QMean=0.537
P1
:
(9 Cplx.)
RUN1
pKi= 7.4
125
7.0
2.0
103905091
3GEN
(43%)
+
B43_A_2
QMean=0.521
P1
:
(6 Cplx.)
RUN0
pKi= 7.4
126
8.5
1.5
103904359
3TZ9
(55%)
+
AQU_A_3
QMean=0.544
P1
:
(7 Cplx.)
RUN0
pKi= 7.4
127
8.5
1.1
103904359
3TZ8
(55%)
+
AQM_A_3
QMean=0.537
P1
:
(10 Cplx.)
RUN1
pKi= 7.4
128
5.5
2.4
103905579
3F3V
(55%)
+
1BU_B_4
QMean=0.477
P1
:
(9 Cplx.)
RUN1
pKi= 7.4
129
5.4
1.4
103905579
3GEN
(43%)
+
B43_A_2
QMean=0.521
P3
:
(3 Cplx.)
RUN2
pKi= 7.4
130
8.7
1.6
103904334
3G6G
(55%)
+
G6G_A_3
QMean=0.562
P1
:
(9 Cplx.)
RUN1
pKi= 7.3
131
9.7
2.1
103904317
3G6G
(55%)
+
G6G_A_3
QMean=0.562
P1
:
(6 Cplx.)
RUN0
pKi= 7.3
132
8.8
1.0
103904296
3TZ8
(55%)
+
AQM_A_3
QMean=0.537
P1
:
(11 Cplx.)
RUN1
pKi= 7.3
133
8.7
1.2
103904362
3TZ8
(55%)
+
AQM_A_3
QMean=0.537
P1
:
(11 Cplx.)
RUN1
pKi= 7.3
134
8.5
1.4
103904362
3TZ9
(55%)
+
AQU_A_3
QMean=0.544
P1
:
(6 Cplx.)
RUN0
pKi= 7.3
135
9.5
1.0
103904281
3TZ9
(55%)
+
AQU_A_3
QMean=0.544
P2
:
(4 Cplx.)
RUN1
pKi= 7.3
136
9.0
1.4
103904334
3TZ9
(55%)
+
AQU_A_3
QMean=0.544
P1
:
(10 Cplx.)
RUN2
pKi= 7.3
137
8.4
1.4
103904362
3F3V
(55%)
+
1BU_B_4
QMean=0.477
P1
:
(8 Cplx.)
RUN2
pKi= 7.3
138
9.1
1.3
103904334
3F3V
(55%)
+
1BU_B_4
QMean=0.477
P1
:
(5 Cplx.)
RUN0
pKi= 7.3
139
9.3
1.4
103904317
3TZ8
(55%)
+
AQM_A_3
QMean=0.537
P1
:
(8 Cplx.)
RUN2
pKi= 7.3
140
7.3
2.3
103904281
3TZ9
(55%)
+
AQU_A_3
QMean=0.544
P1
:
(3 Cplx.)
RUN2
pKi= 7.3
141
9.3
1.8
103904296
3G6G
(55%)
+
G6G_A_3
QMean=0.562
P1
:
(7 Cplx.)
RUN0
pKi= 7.3
142
9.8
1.2
103904317
3TZ8
(55%)
+
AQM_A_3
QMean=0.537
P1
:
(9 Cplx.)
RUN1
pKi= 7.3
143
9.3
1.1
103904296
3TZ8
(55%)
+
AQM_A_3
QMean=0.537
P1
:
(11 Cplx.)
RUN2
pKi= 7.3
144
7.5
2.3
103904342
3OEZ
(55%)
+
STI_B_6
QMean=0.541
P2
:
(3 Cplx.)
RUN0
pKi= 7.2
145
9.8
2.0
103904291
3TZ9
(55%)
+
AQU_A_3
QMean=0.544
P1
:
(6 Cplx.)
RUN2
pKi= 7.2
146
10.1
1.6
103904341
3TZ8
(55%)
+
AQM_A_3
QMean=0.537
P2
:
(4 Cplx.)
RUN1
pKi= 7.2
147
8.8
1.3
103904342
3TZ8
(55%)
+
AQM_A_3
QMean=0.537
P1
:
(10 Cplx.)
RUN1
pKi= 7.2
148
6.9
2.4
103904593
3F3V
(55%)
+
1BU_B_4
QMean=0.477
P1
:
(7 Cplx.)
RUN2
pKi= 7.2
149
8.8
1.1
103904338
3TZ8
(55%)
+
AQM_A_3
QMean=0.537
P1
:
(11 Cplx.)
RUN1
pKi= 7.2
150
10.4
1.4
103904291
3F3V
(55%)
+
1BU_B_4
QMean=0.477
P1
:
(7 Cplx.)
RUN1
pKi= 7.2
151
8.5
1.1
103904338
3TZ8
(55%)
+
AQM_A_3
QMean=0.537
P1
:
(7 Cplx.)
RUN2
pKi= 7.2
152
8.8
1.3
103904341
3TZ7
(55%)
+
AQB_B_4
QMean=0.512
P1
:
(4 Cplx.)
RUN2
pKi= 7.2
153
5.1
1.9
103904594
3F3U
(55%)
+
1AW_A_3
QMean=0.542
P1
:
(4 Cplx.)
RUN1
pKi= 7.2
154
8.4
1.8
103904338
3TZ9
(55%)
+
AQU_A_3
QMean=0.544
P1
:
(4 Cplx.)
RUN0
pKi= 7.2
155
9.5
2.2
103904341
3G6G
(55%)
+
G6G_A_3
QMean=0.562
P1
:
(4 Cplx.)
RUN0
pKi= 7.2
156
8.9
1.9
103904339
3F3U
(55%)
+
1AW_A_3
QMean=0.542
P1
:
(9 Cplx.)
RUN0
pKi= 7.1
157
7.8
1.9
103905340
3F3V
(55%)
+
1BU_B_4
QMean=0.477
P2
:
(4 Cplx.)
RUN1
pKi= 7.1
158
9.0
1.5
103904339
3F3U
(55%)
+
1AW_A_3
QMean=0.542
P1
:
(9 Cplx.)
RUN2
pKi= 7.1
159
6.0
1.9
103904192
3F3U
(55%)
+
1AW_A_3
QMean=0.542
P1
:
(3 Cplx.)
RUN2
pKi= 7.1
160
8.0
2.4
103905340
3F3T
(55%)
+
1AU_A_3
QMean=0.530
P1
:
(4 Cplx.)
RUN0
pKi= 7.1
161
7.5
1.9
103904739
3TZ8
(55%)
+
AQM_A_3
QMean=0.537
P1
:
(3 Cplx.)
RUN2
pKi= 7.1
162
8.0
2.0
103905315
3TZ8
(55%)
+
AQM_A_3
QMean=0.537
P1
:
(5 Cplx.)
RUN2
pKi= 7.1
163
8.5
1.3
103904339
3F3V
(55%)
+
1BU_B_4
QMean=0.477
P1
:
(9 Cplx.)
RUN1
pKi= 7.1
164
7.2
2.5
103905632
3UQF
(55%)
+
BK5_B_4
QMean=0.542
P1
:
(5 Cplx.)
RUN1
pKi= 7
165
6.5
1.9
103904873
3G6G
(55%)
+
G6G_A_3
QMean=0.562
P1
:
(8 Cplx.)
RUN2
pKi= 7
166
9.2
1.2
103904286
3F3V
(55%)
+
1BU_B_4
QMean=0.477
P1
:
(9 Cplx.)
RUN1
pKi= 7
167
8.1
2.0
103904286
3TZ9
(55%)
+
AQU_A_3
QMean=0.544
P1
:
(5 Cplx.)
RUN2
pKi= 7
168
7.8
2.2
103904286
3EN6
(55%)
+
KS5_B_3
QMean=0.497
P1
:
(4 Cplx.)
RUN0
pKi= 7
169
7.0
1.8
103904873
3TZ9
(55%)
+
AQU_A_3
QMean=0.544
P1
:
(6 Cplx.)
RUN1
pKi= 7
170
7.3
1.3
103905670
3TZ9
(55%)
+
AQU_A_3
QMean=0.544
P1
:
(5 Cplx.)
RUN1
pKi= 6.9
171
7.5
2.2
103905575
3G6G
(55%)
+
G6G_A_3
QMean=0.562
P2
:
(3 Cplx.)
RUN2
pKi= 6.9
172
6.9
1.8
103904882
3TZ8
(55%)
+
AQM_A_3
QMean=0.537
P1
:
(10 Cplx.)
RUN1
pKi= 6.9
173
7.0
2.3
103904511
3F3U
(55%)
+
1AW_A_3
QMean=0.542
P2
:
(3 Cplx.)
RUN2
pKi= 6.9
174
8.6
1.3
103904275
3TZ8
(55%)
+
AQM_A_3
QMean=0.537
P1
:
(11 Cplx.)
RUN2
pKi= 6.9
175
8.6
1.4
103904275
3F3V
(55%)
+
1BU_B_4
QMean=0.477
P1
:
(9 Cplx.)
RUN0
pKi= 6.9
176
8.5
1.3
103904275
3TZ8
(55%)
+
AQM_A_3
QMean=0.537
P1
:
(11 Cplx.)
RUN1
pKi= 6.9
177
6.6
2.2
103905575
2HWO
(55%)
+
RBS_A_3
QMean=0.509
P3
:
(3 Cplx.)
RUN1
pKi= 6.9
178
6.7
1.6
103905670
3TZ9
(55%)
+
AQU_A_3
QMean=0.544
P2
:
(3 Cplx.)
RUN2
pKi= 6.9
179
6.1
2.1
103904882
3G6G
(55%)
+
G6G_A_3
QMean=0.562
P1
:
(7 Cplx.)
RUN2
pKi= 6.9
180
7.1
2.1
103904511
3F3U
(55%)
+
1AW_A_3
QMean=0.542
P2
:
(3 Cplx.)
RUN1
pKi= 6.9
181
7.4
2.3
103904195
3F3V
(55%)
+
1BU_B_4
QMean=0.477
P1
:
(7 Cplx.)
RUN0
pKi= 6.8
182
6.7
2.1
103904195
3EN4
(55%)
+
KS1_B_4
QMean=0.565
P1
:
(5 Cplx.)
RUN1
pKi= 6.8
183
7.8
2.2
103905586
3F3T
(55%)
+
1AU_A_3
QMean=0.530
P1
:
(8 Cplx.)
RUN2
pKi= 6.8
184
6.7
1.5
103904502
3TZ8
(55%)
+
AQM_A_3
QMean=0.537
P2
:
(5 Cplx.)
RUN2
pKi= 6.8
185
8.0
1.8
103905586
3G6G
(55%)
+
G6G_A_3
QMean=0.562
P2
:
(4 Cplx.)
RUN1
pKi= 6.8
186
7.9
1.9
103904284
3TZ9
(55%)
+
AQU_A_3
QMean=0.544
P1
:
(7 Cplx.)
RUN0
pKi= 6.8
187
6.4
1.9
103904502
3TZ8
(55%)
+
AQM_A_3
QMean=0.537
P2
:
(5 Cplx.)
RUN1
pKi= 6.8
188
7.8
2.1
103905586
3OEZ
(55%)
+
STI_B_6
QMean=0.541
P1
:
(5 Cplx.)
RUN0
pKi= 6.8
189
7.1
2.3
103905092
3G6G
(55%)
+
G6G_A_3
QMean=0.562
P1
:
(7 Cplx.)
RUN2
pKi= 6.8
190
8.6
0.9
103904360
3TZ9
(55%)
+
AQU_A_3
QMean=0.544
P1
:
(6 Cplx.)
RUN2
pKi= 6.8
191
8.8
1.9
103904360
3G6G
(55%)
+
G6G_A_3
QMean=0.562
P1
:
(7 Cplx.)
RUN0
pKi= 6.8
192
5.3
2.0
103904403
3G6G
(55%)
+
G6G_A_3
QMean=0.562
P3
:
(3 Cplx.)
RUN1
pKi= 6.8
193
6.9
2.4
103905092
3F3V
(55%)
+
1BU_B_4
QMean=0.477
P1
:
(10 Cplx.)
RUN1
pKi= 6.8
194
6.9
2.4
103904195
3GEN
(43%)
+
B43_A_2
QMean=0.521
P2
:
(3 Cplx.)
RUN2
pKi= 6.8
195
8.0
1.2
103904284
3TZ8
(55%)
+
AQM_A_3
QMean=0.537
P1
:
(11 Cplx.)
RUN1
pKi= 6.8
196
9.0
0.7
103904360
3TZ9
(55%)
+
AQU_A_3
QMean=0.544
P1
:
(8 Cplx.)
RUN1
pKi= 6.8
197
7.9
1.4
103904284
3F3V
(55%)
+
1BU_B_4
QMean=0.477
P1
:
(9 Cplx.)
RUN2
pKi= 6.8
198
8.6
1.7
103904348
3TZ9
(55%)
+
AQU_A_3
QMean=0.544
P1
:
(6 Cplx.)
RUN2
pKi= 6.7
199
8.5
2.3
103905245
3TZ8
(55%)
+
AQM_A_3
QMean=0.537
P2
:
(3 Cplx.)
RUN2
pKi= 6.7
200
7.1
1.9
103904402
3F3U
(55%)
+
1AW_A_3
QMean=0.542
P1
:
(6 Cplx.)
RUN2
pKi= 6.7
201
8.6
2.2
103905245
3TZ8
(55%)
+
AQM_A_3
QMean=0.537
P1
:
(4 Cplx.)
RUN1
pKi= 6.7
202
8.6
1.8
103904348
3TZ9
(55%)
+
AQU_A_3
QMean=0.544
P1
:
(7 Cplx.)
RUN0
pKi= 6.7
203
5.6
1.9
103904402
3F3T
(55%)
+
1AU_A_3
QMean=0.530
P1
:
(3 Cplx.)
RUN1
pKi= 6.7
204
9.2
1.6
103904348
3G6G
(55%)
+
G6G_A_3
QMean=0.562
P1
:
(8 Cplx.)
RUN1
pKi= 6.7
205
10.3
1.7
103905464
3EL7
(55%)
+
PD3_A_2
QMean=0.544
P1
:
(5 Cplx.)
RUN0
pKi= 6.6
206
8.9
1.3
103905034
3OEZ
(55%)
+
STI_B_6
QMean=0.541
P1
:
(10 Cplx.)
RUN2
pKi= 6.6
207
6.6
1.9
103905344
3TZ8
(55%)
+
AQM_A_3
QMean=0.537
P2
:
(3 Cplx.)
RUN2
pKi= 6.6
208
9.3
1.6
103905034
3G6G
(55%)
+
G6G_A_3
QMean=0.562
P1
:
(8 Cplx.)
RUN0
pKi= 6.6
209
8.6
0.9
103905034
3F3V
(55%)
+
1BU_B_4
QMean=0.477
P1
:
(8 Cplx.)
RUN1
pKi= 6.6
210
7.0
2.3
103905343
3F3T
(55%)
+
1AU_A_3
QMean=0.530
P2
:
(3 Cplx.)
RUN2
pKi= 6.6
211
8.5
1.9
103904295
3TZ9
(55%)
+
AQU_A_3
QMean=0.544
P1
:
(9 Cplx.)
RUN0
pKi= 6.6
212
8.7
0.9
103904295
3TZ9
(55%)
+
AQU_A_3
QMean=0.544
P1
:
(10 Cplx.)
RUN2
pKi= 6.6
213
9.3
1.9
103904351
3F3V
(55%)
+
1BU_B_4
QMean=0.477
P1
:
(8 Cplx.)
RUN0
pKi= 6.6
214
8.8
1.9
103905464
3F3V
(55%)
+
1BU_B_4
QMean=0.477
P1
:
(6 Cplx.)
RUN2
pKi= 6.6
215
6.2
2.2
103905182
3F3V
(55%)
+
1BU_B_4
QMean=0.477
P1
:
(9 Cplx.)
RUN1
pKi= 6.6
216
8.7
2.5
103904989
3TZ8
(55%)
+
AQM_A_3
QMean=0.537
P1
:
(6 Cplx.)
RUN0
pKi= 6.6
217
8.4
1.2
103904295
3TZ8
(55%)
+
AQM_A_3
QMean=0.537
P1
:
(11 Cplx.)
RUN1
pKi= 6.6
218
8.1
1.6
103905464
3GEN
(43%)
+
B43_A_2
QMean=0.521
P1
:
(3 Cplx.)
RUN1
pKi= 6.6
219
8.6
1.5
103904351
3TZ8
(55%)
+
AQM_A_3
QMean=0.537
P1
:
(7 Cplx.)
RUN2
pKi= 6.6
220
8.7
2.3
103904989
3F3U
(55%)
+
1AW_A_3
QMean=0.542
P1
:
(6 Cplx.)
RUN1
pKi= 6.6
221
8.7
1.2
103904351
3F3V
(55%)
+
1BU_B_4
QMean=0.477
P1
:
(11 Cplx.)
RUN1
pKi= 6.6
222
6.0
2.1
103904649
3TZ9
(55%)
+
AQU_A_3
QMean=0.544
P1
:
(4 Cplx.)
RUN2
pKi= 6.5
223
8.8
1.2
103904857
3TZ8
(55%)
+
AQM_A_3
QMean=0.537
P1
:
(11 Cplx.)
RUN1
pKi= 6.5
224
6.2
1.3
103905339
3F3V
(55%)
+
1BU_B_4
QMean=0.477
P1
:
(6 Cplx.)
RUN1
pKi= 6.5
225
7.8
1.9
103905548
3G6G
(55%)
+
G6G_A_3
QMean=0.562
P1
:
(4 Cplx.)
RUN0
pKi= 6.5
226
9.1
1.6
103904857
3F3V
(55%)
+
1BU_B_4
QMean=0.477
P1
:
(7 Cplx.)
RUN2
pKi= 6.5
227
8.6
1.1
103904329
3TZ8
(55%)
+
AQM_A_3
QMean=0.537
P1
:
(10 Cplx.)
RUN1
pKi= 6.5
228
9.8
2.1
103905596
3G6G
(55%)
+
G6G_A_3
QMean=0.562
P1
:
(3 Cplx.)
RUN0
pKi= 6.5
229
7.4
1.7
103905548
3F3U
(55%)
+
1AW_A_3
QMean=0.542
P1
:
(6 Cplx.)
RUN1
pKi= 6.5
230
9.6
2.2
103904754
3GEN
(43%)
+
B43_A_2
QMean=0.521
P1
:
(3 Cplx.)
RUN0
pKi= 6.5
231
6.7
1.2
103905339
3TZ8
(55%)
+
AQM_A_3
QMean=0.537
P1
:
(4 Cplx.)
RUN2
pKi= 6.5
232
8.1
2.1
103905247
3TZ8
(55%)
+
AQM_A_3
QMean=0.537
P2
:
(3 Cplx.)
RUN2
pKi= 6.5
233
9.5
1.9
103904754
3F3T
(55%)
+
1AU_A_3
QMean=0.530
P1
:
(5 Cplx.)
RUN2
pKi= 6.5
234
7.2
1.0
103905548
3TZ8
(55%)
+
AQM_A_3
QMean=0.537
P1
:
(4 Cplx.)
RUN2
pKi= 6.5
235
8.9
2.0
103905596
3TZ7
(55%)
+
AQB_B_4
QMean=0.512
P1
:
(3 Cplx.)
RUN1
pKi= 6.5
236
8.8
1.8
103904329
3G6G
(55%)
+
G6G_A_3
QMean=0.562
P1
:
(10 Cplx.)
RUN0
pKi= 6.5
237
9.2
1.7
103904857
3F3V
(55%)
+
1BU_B_4
QMean=0.477
P1
:
(6 Cplx.)
RUN0
pKi= 6.5
238
8.9
1.1
103904329
3TZ8
(55%)
+
AQM_A_3
QMean=0.537
P1
:
(12 Cplx.)
RUN2
pKi= 6.5
239
9.3
0.9
103904847
3F3T
(55%)
+
1AU_A_3
QMean=0.530
P1
:
(6 Cplx.)
RUN1
pKi= 6.4
240
8.7
1.3
103904368
3TZ8
(55%)
+
AQM_A_3
QMean=0.537
P1
:
(11 Cplx.)
RUN1
pKi= 6.4
241
8.0
2.2
103905024
3F3V
(55%)
+
1BU_B_4
QMean=0.477
P1
:
(5 Cplx.)
RUN2
pKi= 6.4
242
8.3
1.7
103904287
3C1X
(36%)
+
CKK_A_2
QMean=0.494
P2
:
(5 Cplx.)
RUN2
pKi= 6.4
243
7.4
2.5
103905472
3OEZ
(55%)
+
STI_B_6
QMean=0.541
P1
:
(3 Cplx.)
RUN1
pKi= 6.4
244
5.5
2.0
103905065
3TZ9
(55%)
+
AQU_A_3
QMean=0.544
P2
:
(4 Cplx.)
RUN1
pKi= 6.4
245
6.4
2.0
103905055
3F3T
(55%)
+
1AU_A_3
QMean=0.530
P3
:
(3 Cplx.)
RUN1
pKi= 6.4
246
7.8
2.4
103905410
3F3U
(55%)
+
1AW_A_3
QMean=0.542
P1
:
(6 Cplx.)
RUN1
pKi= 6.4
247
8.3
1.9
103904368
3TZ8
(55%)
+
AQM_A_3
QMean=0.537
P1
:
(9 Cplx.)
RUN0
pKi= 6.4
248
8.5
1.7
103904443
3F3V
(55%)
+
1BU_B_4
QMean=0.477
P1
:
(8 Cplx.)
RUN2
pKi= 6.4
249
8.0
1.4
103904368
3TZ8
(55%)
+
AQM_A_3
QMean=0.537
P1
:
(10 Cplx.)
RUN2
pKi= 6.4
250
7.1
2.2
103905055
3OEZ
(55%)
+
STI_B_6
QMean=0.541
P1
:
(4 Cplx.)
RUN0
pKi= 6.4
251
9.7
1.4
103904287
3F3V
(55%)
+
1BU_B_4
QMean=0.477
P1
:
(11 Cplx.)
RUN1
pKi= 6.4
252
5.7
1.8
103904657
3C1X
(36%)
+
CKK_A_2
QMean=0.494
P2
:
(3 Cplx.)
RUN1
pKi= 6.4
253
7.0
2.2
103905472
3TZ8
(55%)
+
AQM_A_3
QMean=0.537
P2
:
(3 Cplx.)
RUN2
pKi= 6.4
254
7.3
2.5
103904194
3UQF
(55%)
+
BK5_B_4
QMean=0.542
P1
:
(8 Cplx.)
RUN0
pKi= 6.4
255
6.2
2.0
103904657
3TZ8
(55%)
+
AQM_A_3
QMean=0.537
P1
:
(3 Cplx.)
RUN2
pKi= 6.4
256
7.9
2.4
103905024
3F3V
(55%)
+
1BU_B_4
QMean=0.477
P1
:
(5 Cplx.)
RUN0
pKi= 6.4
257
8.7
1.9
103904287
3TZ7
(55%)
+
AQB_B_4
QMean=0.512
P1
:
(4 Cplx.)
RUN0
pKi= 6.4
258
6.0
2.0
103905055
3F3V
(55%)
+
1BU_B_4
QMean=0.477
P2
:
(4 Cplx.)
RUN2
pKi= 6.4
259
7.1
2.2
103904410
3TZ9
(55%)
+
AQU_A_3
QMean=0.544
P3
:
(3 Cplx.)
RUN2
pKi= 6.4
260
5.8
2.4
103905114
3G6G
(55%)
+
G6G_A_3
QMean=0.562
P1
:
(5 Cplx.)
RUN2
pKi= 6.4
261
5.4
2.1
103905065
3TZ9
(55%)
+
AQU_A_3
QMean=0.544
P1
:
(7 Cplx.)
RUN2
pKi= 6.4
262
9.0
2.0
103904443
3F3V
(55%)
+
1BU_B_4
QMean=0.477
P1
:
(9 Cplx.)
RUN0
pKi= 6.4
263
7.3
2.1
103904194
3UQF
(55%)
+
BK5_B_4
QMean=0.542
P1
:
(10 Cplx.)
RUN2
pKi= 6.4
264
5.7
2.4
103904193
3F3V
(55%)
+
1BU_B_4
QMean=0.477
P1
:
(4 Cplx.)
RUN2
pKi= 6.4
265
7.1
2.1
103904410
3F3U
(55%)
+
1AW_A_3
QMean=0.542
P3
:
(3 Cplx.)
RUN1
pKi= 6.4
266
7.3
1.7
103905024
3F3U
(55%)
+
1AW_A_3
QMean=0.542
P2
:
(3 Cplx.)
RUN1
pKi= 6.4
267
8.7
1.5
103904443
3TZ9
(55%)
+
AQU_A_3
QMean=0.544
P1
:
(12 Cplx.)
RUN1
pKi= 6.4
268
5.5
2.4
103904987
3EL7
(55%)
+
PD3_A_2
QMean=0.544
P2
:
(5 Cplx.)
RUN2
pKi= 6.4
269
6.8
2.4
103904763
3GEN
(43%)
+
B43_A_2
QMean=0.521
P2
:
(3 Cplx.)
RUN2
pKi= 6.3
270
7.8
2.1
103905140
3EL7
(55%)
+
PD3_A_2
QMean=0.544
P1
:
(5 Cplx.)
RUN1
pKi= 6.3
271
7.5
2.2
103904763
3G6G
(55%)
+
G6G_A_3
QMean=0.562
P2
:
(3 Cplx.)
RUN1
pKi= 6.3
272
7.3
1.4
103905140
3G6G
(55%)
+
G6G_A_3
QMean=0.562
P1
:
(6 Cplx.)
RUN2
pKi= 6.3
273
6.8
2.0
103904203
3TZ8
(55%)
+
AQM_A_3
QMean=0.537
P1
:
(4 Cplx.)
RUN0
pKi= 6.3
274
5.2
1.9
103904904
3GEN
(43%)
+
B43_A_2
QMean=0.521
P3
:
(3 Cplx.)
RUN1
pKi= 6.2
275
7.3
1.9
103904906
3OEZ
(55%)
+
STI_B_6
QMean=0.541
P1
:
(4 Cplx.)
RUN2
pKi= 6.2
276
7.1
2.1
103904906
3OEZ
(55%)
+
STI_B_6
QMean=0.541
P1
:
(7 Cplx.)
RUN1
pKi= 6.2
277
5.9
2.0
103904904
3GEN
(43%)
+
B43_A_2
QMean=0.521
P2
:
(3 Cplx.)
RUN2
pKi= 6.2
278
7.3
2.0
103904906
3OEZ
(55%)
+
STI_B_6
QMean=0.541
P1
:
(8 Cplx.)
RUN0
pKi= 6.2
279
7.3
1.9
103904904
3OEZ
(55%)
+
STI_B_6
QMean=0.541
P1
:
(8 Cplx.)
RUN0
pKi= 6.2
280
5.3
2.1
103904610
3UQF
(55%)
+
BK5_B_4
QMean=0.542
P1
:
(3 Cplx.)
RUN2
pKi= 6.1
281
5.2
1.9
103905238
3TZ9
(55%)
+
AQU_A_3
QMean=0.544
P3
:
(3 Cplx.)
RUN2
pKi= 6.1
282
9.1
1.8
103904379
3F3V
(55%)
+
1BU_B_4
QMean=0.477
P1
:
(11 Cplx.)
RUN0
pKi= 6.1
283
6.2
1.9
103904212
3EL7
(55%)
+
PD3_A_2
QMean=0.544
P1
:
(7 Cplx.)
RUN2
pKi= 6.1
284
6.4
2.4
103904610
4AGW
(55%)
+
NG7_A_3
QMean=0.543
P1
:
(3 Cplx.)
RUN0
pKi= 6.1
285
4.6
2.0
103905238
3UQF
(55%)
+
BK5_B_4
QMean=0.542
P1
:
(4 Cplx.)
RUN1
pKi= 6.1
286
7.2
2.4
103905255
3C1X
(36%)
+
CKK_A_2
QMean=0.494
P2
:
(3 Cplx.)
RUN2
pKi= 6.1
287
8.6
0.8
103904379
3TZ8
(55%)
+
AQM_A_3
QMean=0.537
P1
:
(10 Cplx.)
RUN1
pKi= 6.1
288
5.6
1.4
103904610
3F3U
(55%)
+
1AW_A_3
QMean=0.542
P1
:
(4 Cplx.)
RUN1
pKi= 6.1
289
7.5
1.5
103905563
3G6G
(55%)
+
G6G_A_3
QMean=0.562
P1
:
(5 Cplx.)
RUN1
pKi= 6.1
290
9.1
1.6
103904379
3TZ9
(55%)
+
AQU_A_3
QMean=0.544
P1
:
(12 Cplx.)
RUN2
pKi= 6.1
291
6.6
2.1
103904212
3TZ8
(55%)
+
AQM_A_3
QMean=0.537
P1
:
(15 Cplx.)
RUN1
pKi= 6.1
292
8.3
2.1
103905096
3TZ9
(55%)
+
AQU_A_3
QMean=0.544
P2
:
(3 Cplx.)
RUN1
pKi= 6
293
9.1
1.9
103905463
3OEZ
(55%)
+
STI_B_6
QMean=0.541
P1
:
(4 Cplx.)
RUN2
pKi= 6
294
7.1
2.2
103904213
3UQF
(55%)
+
BK5_B_4
QMean=0.542
P1
:
(8 Cplx.)
RUN1
pKi= 6
295
8.2
1.1
103904347
3TZ8
(55%)
+
AQM_A_3
QMean=0.537
P1
:
(11 Cplx.)
RUN1
pKi= 6
296
8.1
1.8
103904347
3TZ9
(55%)
+
AQU_A_3
QMean=0.544
P1
:
(7 Cplx.)
RUN0
pKi= 6
297
6.2
2.4
103904216
3EL7
(55%)
+
PD3_A_2
QMean=0.544
P1
:
(3 Cplx.)
RUN1
pKi= 6
298
8.5
1.8
103905219
3TZ9
(55%)
+
AQU_A_3
QMean=0.544
P1
:
(7 Cplx.)
RUN0
pKi= 6
299
8.2
1.1
103904347
3TZ8
(55%)
+
AQM_A_3
QMean=0.537
P1
:
(9 Cplx.)
RUN2
pKi= 6
300
8.4
1.7
103905219
3F3T
(55%)
+
1AU_A_3
QMean=0.530
P1
:
(8 Cplx.)
RUN2
pKi= 6
301
6.3
2.1
103905525
3F3V
(55%)
+
1BU_B_4
QMean=0.477
P1
:
(3 Cplx.)
RUN2
pKi= 6
302
8.7
1.9
103905463
3OEZ
(55%)
+
STI_B_6
QMean=0.541
P1
:
(5 Cplx.)
RUN1
pKi= 6
303
9.3
2.2
103905463
3EL7
(55%)
+
PD3_A_2
QMean=0.544
P1
:
(7 Cplx.)
RUN0
pKi= 6
304
7.3
2.4
103904213
3UQF
(55%)
+
BK5_B_4
QMean=0.542
P1
:
(7 Cplx.)
RUN0
pKi= 6
305
8.6
1.7
103905219
3TZ9
(55%)
+
AQU_A_3
QMean=0.544
P1
:
(9 Cplx.)
RUN1
pKi= 6
306
6.1
1.9
103905598
3UQF
(55%)
+
BK5_B_4
QMean=0.542
P2
:
(3 Cplx.)
RUN2
pKi= 5.9
307
6.8
2.1
103904819
3UQF
(55%)
+
BK5_B_4
QMean=0.542
P1
:
(12 Cplx.)
RUN2
pKi= 5.9
308
7.9
2.2
103904513
3UQF
(55%)
+
BK5_B_4
QMean=0.542
P2
:
(3 Cplx.)
RUN2
pKi= 5.9
309
6.9
2.1
103904464
3EL7
(55%)
+
PD3_A_2
QMean=0.544
P1
:
(3 Cplx.)
RUN2
pKi= 5.9
310
6.7
2.2
103905598
3TZ8
(55%)
+
AQM_A_3
QMean=0.537
P1
:
(10 Cplx.)
RUN1
pKi= 5.9
311
7.4
1.9
103904819
3GEN
(43%)
+
B43_A_2
QMean=0.521
P1
:
(9 Cplx.)
RUN0
pKi= 5.9
312
7.0
2.3
103904819
3GEN
(43%)
+
B43_A_2
QMean=0.521
P1
:
(13 Cplx.)
RUN1
pKi= 5.9
313
6.6
2.4
103905577
3C1X
(36%)
+
CKK_A_2
QMean=0.494
P2
:
(3 Cplx.)
RUN2
pKi= 5.9
314
7.7
1.7
103904856
3TZ9
(55%)
+
AQU_A_3
QMean=0.544
P1
:
(7 Cplx.)
RUN2
pKi= 5.9
315
7.4
2.4
103904464
3EL7
(55%)
+
PD3_A_2
QMean=0.544
P2
:
(3 Cplx.)
RUN0
pKi= 5.9
316
7.8
2.1
103904513
3UQF
(55%)
+
BK5_B_4
QMean=0.542
P3
:
(3 Cplx.)
RUN1
pKi= 5.9
317
7.8
2.4
103904464
3G6G
(55%)
+
G6G_A_3
QMean=0.562
P1
:
(6 Cplx.)
RUN1
pKi= 5.9
318
8.4
1.8
103904856
3G6G
(55%)
+
G6G_A_3
QMean=0.562
P1
:
(5 Cplx.)
RUN1
pKi= 5.9
319
8.4
2.0
103904856
3TZ9
(55%)
+
AQU_A_3
QMean=0.544
P1
:
(4 Cplx.)
RUN0
pKi= 5.9
320
7.7
1.6
103904330
3F3V
(55%)
+
1BU_B_4
QMean=0.477
P1
:
(4 Cplx.)
RUN2
pKi= 5.8
321
5.9
2.3
103905197
3TZ8
(55%)
+
AQM_A_3
QMean=0.537
P1
:
(4 Cplx.)
RUN1
pKi= 5.8
322
5.7
2.3
103905540
3QLF
(55%)
+
PD5_A_3
QMean=0.464
P1
:
(4 Cplx.)
RUN1
pKi= 5.8
323
6.0
1.9
103904465
3EL7
(55%)
+
PD3_A_2
QMean=0.544
P2
:
(4 Cplx.)
RUN1
pKi= 5.8
324
5.6
2.4
103904958
3GEN
(43%)
+
B43_A_2
QMean=0.521
P3
:
(3 Cplx.)
RUN1
pKi= 5.8
325
5.5
2.3
103905112
3TZ9
(55%)
+
AQU_A_3
QMean=0.544
P2
:
(3 Cplx.)
RUN0
pKi= 5.8
326
7.4
2.4
103904466
3GEN
(43%)
+
B43_A_2
QMean=0.521
P2
:
(3 Cplx.)
RUN0
pKi= 5.8
327
7.8
1.9
103904350
3TZ9
(55%)
+
AQU_A_3
QMean=0.544
P2
:
(4 Cplx.)
RUN0
pKi= 5.8
328
6.4
2.3
103904465
3GEN
(43%)
+
B43_A_2
QMean=0.521
P1
:
(3 Cplx.)
RUN2
pKi= 5.8
329
7.9
2.3
103905170
3GEN
(43%)
+
B43_A_2
QMean=0.521
P1
:
(3 Cplx.)
RUN1
pKi= 5.8
330
8.6
2.0
103904365
3G6G
(55%)
+
G6G_A_3
QMean=0.562
P1
:
(9 Cplx.)
RUN0
pKi= 5.8
331
6.8
2.0
103905497
3F3U
(55%)
+
1AW_A_3
QMean=0.542
P1
:
(3 Cplx.)
RUN1
pKi= 5.8
332
7.8
1.0
103904350
3TZ9
(55%)
+
AQU_A_3
QMean=0.544
P1
:
(7 Cplx.)
RUN2
pKi= 5.8
333
5.3
1.8
103905112
3TZ9
(55%)
+
AQU_A_3
QMean=0.544
P1
:
(4 Cplx.)
RUN1
pKi= 5.8
334
8.8
1.3
103904330
3G6G
(55%)
+
G6G_A_3
QMean=0.562
P1
:
(9 Cplx.)
RUN1
pKi= 5.8
335
6.3
1.9
103904758
3TZ7
(55%)
+
AQB_B_4
QMean=0.512
P3
:
(3 Cplx.)
RUN1
pKi= 5.8
336
5.7
2.3
103905084
3TZ8
(55%)
+
AQM_A_3
QMean=0.537
P1
:
(6 Cplx.)
RUN2
pKi= 5.8
337
7.1
1.9
103905497
3F3U
(55%)
+
1AW_A_3
QMean=0.542
P1
:
(3 Cplx.)
RUN2
pKi= 5.8
338
6.0
2.2
103904958
3TZ8
(55%)
+
AQM_A_3
QMean=0.537
P1
:
(5 Cplx.)
RUN2
pKi= 5.8
339
8.2
1.0
103904350
3TZ8
(55%)
+
AQM_A_3
QMean=0.537
P1
:
(8 Cplx.)
RUN1
pKi= 5.8
340
7.2
2.0
103904466
3EL7
(55%)
+
PD3_A_2
QMean=0.544
P2
:
(3 Cplx.)
RUN1
pKi= 5.8
341
7.7
2.5
103904758
3G6G
(55%)
+
G6G_A_3
QMean=0.562
P2
:
(3 Cplx.)
RUN0
pKi= 5.8
342
6.1
2.4
103905197
3TZ9
(55%)
+
AQU_A_3
QMean=0.544
P1
:
(6 Cplx.)
RUN2
pKi= 5.8
343
8.7
1.6
103904365
3TZ8
(55%)
+
AQM_A_3
QMean=0.537
P1
:
(12 Cplx.)
RUN2
pKi= 5.8
344
8.3
1.3
103904365
3F3V
(55%)
+
1BU_B_4
QMean=0.477
P1
:
(10 Cplx.)
RUN1
pKi= 5.8
345
5.2
2.0
103905112
3TZ9
(55%)
+
AQU_A_3
QMean=0.544
P1
:
(4 Cplx.)
RUN2
pKi= 5.8
346
6.5
2.2
103904202
3G5D
(55%)
+
1N1_B_5
QMean=0.538
P1
:
(8 Cplx.)
RUN1
pKi= 5.8
347
7.1
2.3
103904465
3D7T
(55%)
+
STU_B_3
QMean=0.511
P1
:
(3 Cplx.)
RUN0
pKi= 5.8
348
6.0
2.5
103904958
3F3T
(55%)
+
1AU_A_3
QMean=0.530
P1
:
(3 Cplx.)
RUN0
pKi= 5.8
349
6.2
2.4
103905448
3F3U
(55%)
+
1AW_A_3
QMean=0.542
P1
:
(6 Cplx.)
RUN2
pKi= 5.7
350
6.3
2.3
103905254
3EN4
(55%)
+
KS1_B_4
QMean=0.565
P1
:
(8 Cplx.)
RUN2
pKi= 5.7
351
7.4
1.9
103904770
3F3U
(55%)
+
1AW_A_3
QMean=0.542
P2
:
(3 Cplx.)
RUN1
pKi= 5.7
352
6.6
2.0
103905254
3EL7
(55%)
+
PD3_A_2
QMean=0.544
P1
:
(6 Cplx.)
RUN1
pKi= 5.7
353
5.1
1.8
103904215
3F3V
(55%)
+
1BU_B_4
QMean=0.477
P2
:
(4 Cplx.)
RUN1
pKi= 5.7
354
5.9
2.4
103904215
3D7T
(55%)
+
STU_B_3
QMean=0.511
P2
:
(5 Cplx.)
RUN0
pKi= 5.7
355
6.3
2.5
103904206
3TZ9
(55%)
+
AQU_A_3
QMean=0.544
P2
:
(3 Cplx.)
RUN0
pKi= 5.7
356
5.2
2.4
103905045
3EN4
(55%)
+
KS1_B_4
QMean=0.565
P1
:
(7 Cplx.)
RUN2
pKi= 5.7
357
5.7
2.3
103905045
3EN4
(55%)
+
KS1_B_4
QMean=0.565
P1
:
(8 Cplx.)
RUN1
pKi= 5.7
358
5.8
2.0
103904215
3D7T
(55%)
+
STU_B_3
QMean=0.511
P1
:
(6 Cplx.)
RUN2
pKi= 5.7
359
6.9
2.3
103904206
3G6G
(55%)
+
G6G_A_3
QMean=0.562
P1
:
(4 Cplx.)
RUN2
pKi= 5.7
360
7.2
2.2
103904770
3F3U
(55%)
+
1AW_A_3
QMean=0.542
P1
:
(3 Cplx.)
RUN2
pKi= 5.7
361
5.7
2.4
103905180
3F3V
(55%)
+
1BU_B_4
QMean=0.477
P2
:
(4 Cplx.)
RUN2
pKi= 5.6
362
6.2
2.3
103905180
3EL7
(55%)
+
PD3_A_2
QMean=0.544
P1
:
(10 Cplx.)
RUN1
pKi= 5.6
Correlation coefficient (Pearson) between mesured and calculated pKd: R=0.47
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