Screening Results : Docking based on all models from entry : FER_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
103904192
103904193
103904195
103904196
103904197
103904202
103904203
103904204
103904215
103904216
103904272
103904275
103904276
103904277
103904280
103904281
103904283
103904284
103904286
103904287
103904288
103904289
103904290
103904291
103904292
103904294
103904296
103904314
103904315
103904317
103904318
103904320
103904322
103904326
103904329
103904333
103904335
103904336
103904340
103904341
103904343
103904351
103904352
103904354
103904361
103904362
103904364
103904366
103904402
103904403
103904417
103904443
103904468
103904480
103904502
103904505
103904511
103904514
103904567
103904592
103904593
103904594
103904596
103904600
103904601
103904604
103904610
103904637
103904638
103904647
103904649
103904677
103904709
103904711
103904717
103904739
103904746
103904754
103904784
103904786
103904787
103904788
103904789
103904796
103904806
103904819
103904857
103904872
103904884
103904904
103904906
103904940
103904953
103904963
103904983
103904987
103904991
103905001
103905026
103905027
103905055
103905056
103905095
103905112
103905113
103905154
103905212
103905233
103905238
103905245
103905247
103905250
103905251
103905340
103905354
103905414
103905488
103905496
103905497
103905525
103905531
103905558
103905575
103905577
103905578
103905590
103905603
103905607
103905608
103905622
103905632
103905649
103905670
103905675
Complex support
[Template
(Ident)
+ Anchor]
Model Quality
(QMean)
Position of Lig.
Study
Measure
1
11.0
1.0
103904787
2C0O
(38%)
+
L2G_A_3
QMean=0.541
P1
:
(3 Cplx.)
RUN0
pKi= 7.5
2
11.0
1.6
103904289
3QRI
(45%)
+
919_A_5
QMean=0.551
P1
:
(6 Cplx.)
RUN2
pKi= 6.6
3
10.9
0.9
103904787
2C0O
(38%)
+
L2G_A_3
QMean=0.541
P1
:
(8 Cplx.)
RUN2
pKi= 7.5
4
10.8
1.8
103904289
3QRI
(45%)
+
919_A_5
QMean=0.551
P1
:
(5 Cplx.)
RUN0
pKi= 6.6
5
10.7
0.9
103904788
2C0O
(38%)
+
L2G_A_3
QMean=0.541
P1
:
(8 Cplx.)
RUN2
pKi= 7.5
6
10.7
1.1
103904788
2C0O
(38%)
+
L2G_A_3
QMean=0.541
P1
:
(4 Cplx.)
RUN0
pKi= 7.5
7
10.5
0.8
103904784
2C0O
(38%)
+
L2G_A_3
QMean=0.541
P1
:
(4 Cplx.)
RUN2
pKi= 7.1
8
10.3
2.2
103904754
2C0O
(38%)
+
L2G_A_3
QMean=0.541
P1
:
(5 Cplx.)
RUN0
pKi= 6.4
9
10.2
0.7
103904788
2C0T
(38%)
+
L3G_A_3
QMean=0.532
P1
:
(9 Cplx.)
RUN1
pKi= 7.5
10
10.2
0.7
103904787
2C0T
(38%)
+
L3G_A_3
QMean=0.532
P1
:
(7 Cplx.)
RUN1
pKi= 7.5
11
10.0
1.6
103904288
3QRI
(45%)
+
919_A_5
QMean=0.551
P3
:
(4 Cplx.)
RUN0
pKi= 6.3
12
9.9
2.0
103904417
2C0O
(38%)
+
L2G_A_3
QMean=0.541
P1
:
(4 Cplx.)
RUN1
pKi= 6.6
13
9.8
1.4
103904784
2C0O
(38%)
+
L2G_A_3
QMean=0.541
P1
:
(3 Cplx.)
RUN0
pKi= 7.1
14
9.8
1.7
103904322
3CS9
(44%)
+
NIL_A_5
QMean=0.565
P1
:
(4 Cplx.)
RUN0
pKi= 7.7
15
9.8
2.2
103904754
2C0O
(38%)
+
L2G_A_3
QMean=0.541
P1
:
(4 Cplx.)
RUN2
pKi= 6.4
16
9.7
2.0
103904320
3QRI
(45%)
+
919_A_5
QMean=0.551
P1
:
(4 Cplx.)
RUN0
pKi= 6.1
17
9.7
2.1
103904322
3VS1
(38%)
+
VSA_B_8
QMean=0.518
P1
:
(6 Cplx.)
RUN1
pKi= 7.7
18
9.7
1.9
103904289
3QRI
(45%)
+
919_A_5
QMean=0.551
P1
:
(5 Cplx.)
RUN1
pKi= 6.6
19
9.6
0.5
103904991
3VS2
(38%)
+
VSB_A_3
QMean=0.520
P1
:
(4 Cplx.)
RUN0
pKi= 6.7
20
9.6
2.0
103904480
3VS4
(38%)
+
VSF_B_8
QMean=0.487
P1
:
(3 Cplx.)
RUN2
pKi= 5.9
21
9.6
1.8
103904354
3VS1
(38%)
+
VSA_B_8
QMean=0.518
P1
:
(4 Cplx.)
RUN0
pKi= 7.6
22
9.6
1.6
103904291
3VS1
(38%)
+
VSA_B_8
QMean=0.518
P1
:
(6 Cplx.)
RUN1
pKi= 7.4
23
9.5
1.7
103904326
3VS1
(38%)
+
VSA_B_8
QMean=0.518
P3
:
(3 Cplx.)
RUN0
pKi= 7.9
24
9.5
2.0
103904341
3VS1
(38%)
+
VSA_B_8
QMean=0.518
P1
:
(4 Cplx.)
RUN1
pKi= 7.2
25
9.4
2.4
103904717
3CS9
(44%)
+
NIL_A_5
QMean=0.565
P2
:
(3 Cplx.)
RUN0
pKi= 6
26
9.4
1.5
103904326
3VS1
(38%)
+
VSA_B_8
QMean=0.518
P3
:
(4 Cplx.)
RUN2
pKi= 7.9
27
9.4
2.0
103904341
3VS1
(38%)
+
VSA_B_8
QMean=0.518
P2
:
(3 Cplx.)
RUN0
pKi= 7.2
28
9.4
2.0
103904417
3VS0
(38%)
+
VS0_A_5
QMean=0.546
P1
:
(5 Cplx.)
RUN2
pKi= 6.6
29
9.4
1.0
103904784
2C0O
(38%)
+
L2G_A_3
QMean=0.541
P1
:
(7 Cplx.)
RUN1
pKi= 7.1
30
9.4
2.1
103904320
3MS9
(45%)
+
STI_B_9
QMean=0.573
P2
:
(4 Cplx.)
RUN2
pKi= 6.1
31
9.3
1.9
103904272
3VS1
(38%)
+
VSA_B_8
QMean=0.518
P1
:
(3 Cplx.)
RUN0
pKi= 7.3
32
9.3
1.4
103904354
3VRZ
(38%)
+
VRZ_B_8
QMean=0.543
P1
:
(7 Cplx.)
RUN2
pKi= 7.6
33
9.2
2.4
103904292
3VRZ
(38%)
+
VRZ_B_8
QMean=0.543
P1
:
(3 Cplx.)
RUN0
pKi= 7.2
34
9.2
1.5
103904291
3VS1
(38%)
+
VSA_B_8
QMean=0.518
P2
:
(4 Cplx.)
RUN2
pKi= 7.4
35
9.2
1.6
103904322
3VRZ
(38%)
+
VRZ_B_8
QMean=0.543
P1
:
(3 Cplx.)
RUN2
pKi= 7.7
36
9.1
0.5
103904991
3VS2
(38%)
+
VSB_A_3
QMean=0.520
P1
:
(9 Cplx.)
RUN2
pKi= 6.7
37
9.1
1.6
103904283
3VS1
(38%)
+
VSA_B_8
QMean=0.518
P2
:
(3 Cplx.)
RUN1
pKi= 6.1
38
9.1
1.6
103904754
3VS1
(38%)
+
VSA_B_8
QMean=0.518
P1
:
(3 Cplx.)
RUN1
pKi= 6.4
39
9.1
1.7
103905247
1M52
(45%)
+
P17_A_5
QMean=0.569
P2
:
(3 Cplx.)
RUN1
pKi= 7.5
40
9.0
1.8
103904280
3VRZ
(38%)
+
VRZ_B_8
QMean=0.543
P1
:
(6 Cplx.)
RUN0
pKi= 6.6
41
9.0
1.6
103904341
3VS1
(38%)
+
VSA_B_8
QMean=0.518
P2
:
(3 Cplx.)
RUN2
pKi= 7.2
42
9.0
1.8
103904315
3VS1
(38%)
+
VSA_B_8
QMean=0.518
P3
:
(3 Cplx.)
RUN1
pKi= 7.6
43
8.9
1.8
103904283
3VS1
(38%)
+
VSA_B_8
QMean=0.518
P1
:
(4 Cplx.)
RUN2
pKi= 6.1
44
8.9
1.8
103905247
2HZI
(44%)
+
JIN_B_4
QMean=0.544
P2
:
(3 Cplx.)
RUN0
pKi= 7.5
45
8.9
1.8
103904317
3VS1
(38%)
+
VSA_B_8
QMean=0.518
P3
:
(3 Cplx.)
RUN0
pKi= 7.7
46
8.9
2.2
103904318
2C0O
(38%)
+
L2G_A_3
QMean=0.541
P1
:
(3 Cplx.)
RUN0
pKi= 8.2
47
8.9
1.7
103904318
2C0O
(38%)
+
L2G_A_3
QMean=0.541
P1
:
(6 Cplx.)
RUN1
pKi= 8.2
48
8.9
2.1
103904711
3CS9
(44%)
+
NIL_A_5
QMean=0.565
P2
:
(3 Cplx.)
RUN2
pKi= 5.9
49
8.8
1.9
103904314
3VS1
(38%)
+
VSA_B_8
QMean=0.518
P2
:
(3 Cplx.)
RUN0
pKi= 6
50
8.8
1.6
103904366
3CS9
(44%)
+
NIL_A_5
QMean=0.565
P1
:
(5 Cplx.)
RUN0
pKi= 6.6
51
8.8
1.4
103904281
3VS0
(38%)
+
VS0_A_5
QMean=0.546
P2
:
(3 Cplx.)
RUN0
pKi= 6.3
52
8.8
1.5
103904317
3VRZ
(38%)
+
VRZ_B_8
QMean=0.543
P1
:
(6 Cplx.)
RUN2
pKi= 7.7
53
8.8
1.7
103904292
3VRZ
(38%)
+
VRZ_B_8
QMean=0.543
P1
:
(4 Cplx.)
RUN2
pKi= 7.2
54
8.8
1.7
103904292
3CS9
(44%)
+
NIL_A_5
QMean=0.565
P1
:
(5 Cplx.)
RUN1
pKi= 7.2
55
8.7
1.7
103904281
3VS1
(38%)
+
VSA_B_8
QMean=0.518
P1
:
(5 Cplx.)
RUN2
pKi= 6.3
56
8.7
1.7
103905251
2HZI
(44%)
+
JIN_B_4
QMean=0.544
P1
:
(7 Cplx.)
RUN0
pKi= 6
57
8.7
1.5
103904272
3VRZ
(38%)
+
VRZ_B_8
QMean=0.543
P1
:
(7 Cplx.)
RUN1
pKi= 7.3
58
8.7
1.8
103904287
3VS0
(38%)
+
VS0_A_5
QMean=0.546
P1
:
(4 Cplx.)
RUN0
pKi= 6.5
59
8.6
1.8
103905247
1M52
(45%)
+
P17_A_5
QMean=0.569
P2
:
(3 Cplx.)
RUN2
pKi= 7.5
60
8.6
2.3
103905603
1M52
(45%)
+
P17_A_5
QMean=0.569
P1
:
(7 Cplx.)
RUN0
pKi= 6.6
61
8.6
1.9
103904320
3CS9
(44%)
+
NIL_A_5
QMean=0.565
P2
:
(4 Cplx.)
RUN1
pKi= 6.1
62
8.6
2.3
103905603
1M52
(45%)
+
P17_A_5
QMean=0.569
P1
:
(7 Cplx.)
RUN2
pKi= 6.6
63
8.6
1.4
103904281
3VS0
(38%)
+
VS0_A_5
QMean=0.546
P1
:
(4 Cplx.)
RUN1
pKi= 6.3
64
8.6
1.9
103904290
3VS1
(38%)
+
VSA_B_8
QMean=0.518
P1
:
(4 Cplx.)
RUN0
pKi= 6.5
65
8.6
2.1
103905250
2Z60
(45%)
+
P3Y_A_2
QMean=0.545
P1
:
(5 Cplx.)
RUN2
pKi= 7.3
66
8.6
1.8
103905649
1M52
(45%)
+
P17_A_5
QMean=0.569
P2
:
(3 Cplx.)
RUN0
pKi= 6.4
67
8.5
1.8
103904288
2C0T
(38%)
+
L3G_A_3
QMean=0.532
P1
:
(6 Cplx.)
RUN2
pKi= 6.3
68
8.5
2.3
103905622
3OY3
(45%)
+
XY3_A_3
QMean=0.552
P1
:
(4 Cplx.)
RUN2
pKi= 5.8
69
8.5
2.2
103904717
3CS9
(44%)
+
NIL_A_5
QMean=0.565
P1
:
(6 Cplx.)
RUN2
pKi= 6
70
8.5
1.7
103904287
3VS0
(38%)
+
VS0_A_5
QMean=0.546
P1
:
(6 Cplx.)
RUN2
pKi= 6.5
71
8.4
2.0
103905575
3OY3
(45%)
+
XY3_A_3
QMean=0.552
P1
:
(5 Cplx.)
RUN0
pKi= 6.7
72
8.4
1.5
103905340
2HZI
(44%)
+
JIN_B_4
QMean=0.544
P2
:
(3 Cplx.)
RUN1
pKi= 6
73
8.4
1.8
103905245
1M52
(45%)
+
P17_A_5
QMean=0.569
P2
:
(4 Cplx.)
RUN2
pKi= 7.4
74
8.4
1.8
103904287
3CS9
(44%)
+
NIL_A_5
QMean=0.565
P1
:
(6 Cplx.)
RUN1
pKi= 6.5
75
8.4
1.2
103904280
3VS0
(38%)
+
VS0_A_5
QMean=0.546
P1
:
(5 Cplx.)
RUN1
pKi= 6.6
76
8.4
2.0
103904283
2HZI
(44%)
+
JIN_B_4
QMean=0.544
P2
:
(3 Cplx.)
RUN0
pKi= 6.1
77
8.4
1.4
103904318
2C0O
(38%)
+
L2G_A_3
QMean=0.541
P1
:
(6 Cplx.)
RUN2
pKi= 8.2
78
8.4
1.3
103904272
3VS0
(38%)
+
VS0_A_5
QMean=0.546
P2
:
(3 Cplx.)
RUN2
pKi= 7.3
79
8.4
1.2
103905251
1M52
(45%)
+
P17_A_5
QMean=0.569
P1
:
(4 Cplx.)
RUN2
pKi= 6
80
8.3
0.4
103904991
3VS2
(38%)
+
VSB_A_3
QMean=0.520
P1
:
(11 Cplx.)
RUN1
pKi= 6.7
81
8.3
2.5
103904351
3VS0
(38%)
+
VS0_A_5
QMean=0.546
P1
:
(5 Cplx.)
RUN0
pKi= 6.1
82
8.3
1.7
103904468
3VS4
(38%)
+
VSF_B_8
QMean=0.487
P1
:
(3 Cplx.)
RUN2
pKi= 6
83
8.3
1.6
103904343
2C0T
(38%)
+
L3G_A_3
QMean=0.532
P1
:
(8 Cplx.)
RUN2
pKi= 6.1
84
8.3
1.4
103905649
2HZI
(44%)
+
JIN_B_4
QMean=0.544
P2
:
(5 Cplx.)
RUN1
pKi= 6.4
85
8.3
1.5
103904280
3VS0
(38%)
+
VS0_A_5
QMean=0.546
P1
:
(6 Cplx.)
RUN2
pKi= 6.6
86
8.3
1.4
103904290
3VS1
(38%)
+
VSA_B_8
QMean=0.518
P1
:
(8 Cplx.)
RUN2
pKi= 6.5
87
8.2
1.9
103904333
3VS6
(38%)
+
VSH_B_10
QMean=0.511
P1
:
(7 Cplx.)
RUN0
pKi= 5.9
88
8.2
1.2
103904819
2HZI
(44%)
+
JIN_B_4
QMean=0.544
P1
:
(17 Cplx.)
RUN1
pKi= 6.7
89
8.2
2.4
103904596
3VS4
(38%)
+
VSF_B_8
QMean=0.487
P1
:
(6 Cplx.)
RUN0
pKi= 6
90
8.2
1.6
103904819
2HZI
(44%)
+
JIN_B_4
QMean=0.544
P1
:
(14 Cplx.)
RUN0
pKi= 6.7
91
8.2
1.5
103904354
2C0T
(38%)
+
L3G_A_3
QMean=0.532
P2
:
(4 Cplx.)
RUN1
pKi= 7.6
92
8.2
2.0
103904953
2HIW
(45%)
+
7MP_D_4
QMean=0.558
P1
:
(4 Cplx.)
RUN2
pKi= 5.9
93
8.2
1.4
103904366
3CS9
(44%)
+
NIL_A_5
QMean=0.565
P2
:
(4 Cplx.)
RUN2
pKi= 6.6
94
8.2
1.6
103904317
3VRZ
(38%)
+
VRZ_B_8
QMean=0.543
P2
:
(4 Cplx.)
RUN1
pKi= 7.7
95
8.2
1.4
103904343
2C0O
(38%)
+
L2G_A_3
QMean=0.541
P3
:
(3 Cplx.)
RUN1
pKi= 6.1
96
8.1
1.6
103904314
3CS9
(44%)
+
NIL_A_5
QMean=0.565
P2
:
(5 Cplx.)
RUN1
pKi= 6
97
8.1
1.6
103904361
3VS1
(38%)
+
VSA_B_8
QMean=0.518
P1
:
(5 Cplx.)
RUN1
pKi= 6
98
8.1
1.9
103905670
2C0O
(38%)
+
L2G_A_3
QMean=0.541
P1
:
(5 Cplx.)
RUN1
pKi= 7.2
99
8.1
2.4
103905497
3VS1
(38%)
+
VSA_B_8
QMean=0.518
P1
:
(3 Cplx.)
RUN0
pKi= 5.9
100
8.1
1.7
103904514
2HZI
(44%)
+
JIN_B_4
QMean=0.544
P1
:
(6 Cplx.)
RUN2
pKi= 6.1
101
8.1
2.3
103904480
3VS4
(38%)
+
VSF_B_8
QMean=0.487
P1
:
(3 Cplx.)
RUN1
pKi= 5.9
102
8.1
2.4
103904443
2C0O
(38%)
+
L2G_A_3
QMean=0.541
P1
:
(4 Cplx.)
RUN0
pKi= 6.5
103
8.1
1.8
103904195
2FO0
(40%)
+
P16_A_3
QMean=0.548
P1
:
(9 Cplx.)
RUN0
pKi= 7
104
8.1
1.5
103904290
3VRZ
(38%)
+
VRZ_B_8
QMean=0.543
P1
:
(6 Cplx.)
RUN1
pKi= 6.5
105
8.1
1.3
103904819
2HZI
(44%)
+
JIN_B_4
QMean=0.544
P1
:
(15 Cplx.)
RUN2
pKi= 6.7
106
8.1
1.7
103904336
3VS1
(38%)
+
VSA_B_8
QMean=0.518
P1
:
(6 Cplx.)
RUN0
pKi= 6.6
107
8.1
2.3
103905250
3CS9
(44%)
+
NIL_A_5
QMean=0.565
P1
:
(6 Cplx.)
RUN1
pKi= 7.3
108
8.0
1.5
103904468
2HZI
(44%)
+
JIN_B_4
QMean=0.544
P3
:
(3 Cplx.)
RUN0
pKi= 6
109
8.0
2.5
103904592
1M52
(45%)
+
P17_A_5
QMean=0.569
P2
:
(3 Cplx.)
RUN0
pKi= 7.7
110
8.0
1.1
103905251
2HZI
(44%)
+
JIN_B_4
QMean=0.544
P1
:
(4 Cplx.)
RUN1
pKi= 6
111
8.0
2.4
103904637
3VS5
(38%)
+
VSG_A_3
QMean=0.546
P1
:
(3 Cplx.)
RUN0
pKi= 8.8
112
8.0
1.6
103904329
3VRZ
(38%)
+
VRZ_B_8
QMean=0.543
P2
:
(5 Cplx.)
RUN0
pKi= 6
113
7.9
1.5
103904340
3VS6
(38%)
+
VSH_B_10
QMean=0.511
P1
:
(7 Cplx.)
RUN1
pKi= 6.3
114
7.9
1.9
103904505
3VS0
(38%)
+
VS0_A_5
QMean=0.546
P1
:
(6 Cplx.)
RUN1
pKi= 6.6
115
7.9
0.4
103904195
2Z60
(45%)
+
P3Y_A_2
QMean=0.545
P2
:
(6 Cplx.)
RUN1
pKi= 7
116
7.9
1.1
103904314
3VS1
(38%)
+
VSA_B_8
QMean=0.518
P1
:
(7 Cplx.)
RUN2
pKi= 6
117
7.9
1.5
103904277
2C0O
(38%)
+
L2G_A_3
QMean=0.541
P1
:
(3 Cplx.)
RUN0
pKi= 6.6
118
7.9
1.6
103904326
3VS6
(38%)
+
VSH_B_10
QMean=0.511
P3
:
(3 Cplx.)
RUN1
pKi= 7.9
119
7.9
1.3
103904361
1M52
(45%)
+
P17_A_5
QMean=0.569
P2
:
(4 Cplx.)
RUN0
pKi= 6
120
7.9
1.7
103905649
2HZI
(44%)
+
JIN_B_4
QMean=0.544
P2
:
(6 Cplx.)
RUN2
pKi= 6.4
121
7.9
0.6
103904195
2Z60
(45%)
+
P3Y_A_2
QMean=0.545
P4
:
(3 Cplx.)
RUN2
pKi= 7
122
7.9
1.6
103904366
3CS9
(44%)
+
NIL_A_5
QMean=0.565
P2
:
(4 Cplx.)
RUN1
pKi= 6.6
123
7.9
2.4
103904505
2C0O
(38%)
+
L2G_A_3
QMean=0.541
P1
:
(3 Cplx.)
RUN0
pKi= 6.6
124
7.9
2.3
103904343
2HZI
(44%)
+
JIN_B_4
QMean=0.544
P2
:
(3 Cplx.)
RUN0
pKi= 6.1
125
7.9
2.0
103905001
2C0O
(38%)
+
L2G_A_3
QMean=0.541
P1
:
(3 Cplx.)
RUN0
pKi= 6.2
126
7.8
2.3
103905525
2C0O
(38%)
+
L2G_A_3
QMean=0.541
P2
:
(3 Cplx.)
RUN0
pKi= 6.1
127
7.8
2.0
103904336
3VS1
(38%)
+
VSA_B_8
QMean=0.518
P2
:
(6 Cplx.)
RUN1
pKi= 6.6
128
7.8
2.0
103905496
3VS5
(38%)
+
VSG_A_3
QMean=0.546
P1
:
(3 Cplx.)
RUN2
pKi= 6.1
129
7.8
2.4
103904857
3VS0
(38%)
+
VS0_A_5
QMean=0.546
P1
:
(4 Cplx.)
RUN0
pKi= 6.1
130
7.8
2.1
103905622
2C0O
(38%)
+
L2G_A_3
QMean=0.541
P2
:
(3 Cplx.)
RUN1
pKi= 5.8
131
7.8
2.1
103904638
2C0T
(38%)
+
L3G_A_3
QMean=0.532
P2
:
(3 Cplx.)
RUN1
pKi= 5.8
132
7.8
1.8
103904277
3QRI
(45%)
+
919_A_5
QMean=0.551
P1
:
(4 Cplx.)
RUN1
pKi= 6.6
133
7.7
1.5
103904294
3VS1
(38%)
+
VSA_B_8
QMean=0.518
P1
:
(5 Cplx.)
RUN1
pKi= 6.8
134
7.7
2.5
103904592
3VS2
(38%)
+
VSB_A_3
QMean=0.520
P1
:
(6 Cplx.)
RUN2
pKi= 7.7
135
7.7
1.0
103904333
3VS1
(38%)
+
VSA_B_8
QMean=0.518
P1
:
(5 Cplx.)
RUN1
pKi= 5.9
136
7.7
0.8
103905531
3BKB
(66%)
+
STU_A_13
QMean=0.566
P3
:
(3 Cplx.)
RUN2
pKi= 8.5
137
7.7
1.2
103904286
3VS1
(38%)
+
VSA_B_8
QMean=0.518
P1
:
(6 Cplx.)
RUN1
pKi= 6.8
138
7.7
2.0
103904203
3MS9
(45%)
+
STI_B_9
QMean=0.573
P1
:
(4 Cplx.)
RUN1
pKi= 6
139
7.7
1.9
103904189
1M52
(45%)
+
P17_A_5
QMean=0.569
P1
:
(5 Cplx.)
RUN2
pKi= 6.7
140
7.7
1.8
103904796
3VS0
(38%)
+
VS0_A_5
QMean=0.546
P1
:
(7 Cplx.)
RUN1
pKi= 6
141
7.7
1.8
103904796
3VS4
(38%)
+
VSF_B_8
QMean=0.487
P1
:
(5 Cplx.)
RUN2
pKi= 6
142
7.7
1.7
103904276
3VRZ
(38%)
+
VRZ_B_8
QMean=0.543
P1
:
(4 Cplx.)
RUN0
pKi= 6
143
7.7
1.6
103904203
2HZI
(44%)
+
JIN_B_4
QMean=0.544
P1
:
(6 Cplx.)
RUN2
pKi= 6
144
7.7
2.0
103904857
2C0T
(38%)
+
L3G_A_3
QMean=0.532
P2
:
(5 Cplx.)
RUN1
pKi= 6.1
145
7.7
2.2
103905001
3CS9
(44%)
+
NIL_A_5
QMean=0.565
P1
:
(3 Cplx.)
RUN2
pKi= 6.2
146
7.6
1.3
103904277
2C0O
(38%)
+
L2G_A_3
QMean=0.541
P1
:
(7 Cplx.)
RUN2
pKi= 6.6
147
7.6
2.4
103904739
3CS9
(44%)
+
NIL_A_5
QMean=0.565
P1
:
(5 Cplx.)
RUN2
pKi= 8.5
148
7.6
1.5
103904514
3VS5
(38%)
+
VSG_A_3
QMean=0.546
P1
:
(7 Cplx.)
RUN1
pKi= 6.1
149
7.6
1.6
103904443
3CS9
(44%)
+
NIL_A_5
QMean=0.565
P1
:
(6 Cplx.)
RUN1
pKi= 6.5
150
7.6
1.8
103904511
3VS0
(38%)
+
VS0_A_5
QMean=0.546
P1
:
(7 Cplx.)
RUN1
pKi= 6.5
151
7.6
1.9
103904443
3VS0
(38%)
+
VS0_A_5
QMean=0.546
P1
:
(5 Cplx.)
RUN2
pKi= 6.5
152
7.6
2.2
103905340
2C0O
(38%)
+
L2G_A_3
QMean=0.541
P1
:
(5 Cplx.)
RUN0
pKi= 6
153
7.6
1.3
103904275
3VRZ
(38%)
+
VRZ_B_8
QMean=0.543
P3
:
(3 Cplx.)
RUN0
pKi= 5.9
154
7.6
1.9
103904294
3VS6
(38%)
+
VSH_B_10
QMean=0.511
P1
:
(4 Cplx.)
RUN0
pKi= 6.8
155
7.6
1.0
103904196
2Z60
(45%)
+
P3Y_A_2
QMean=0.545
P1
:
(10 Cplx.)
RUN0
pKi= 6.3
156
7.6
2.4
103905496
3VS1
(38%)
+
VSA_B_8
QMean=0.518
P1
:
(4 Cplx.)
RUN1
pKi= 6.1
157
7.6
1.5
103904335
3VS1
(38%)
+
VSA_B_8
QMean=0.518
P2
:
(3 Cplx.)
RUN0
pKi= 6.8
158
7.6
1.8
103904203
1M52
(45%)
+
P17_A_5
QMean=0.569
P2
:
(5 Cplx.)
RUN0
pKi= 6
159
7.6
2.3
103904857
3VS0
(38%)
+
VS0_A_5
QMean=0.546
P1
:
(5 Cplx.)
RUN2
pKi= 6.1
160
7.5
1.6
103905001
3VS6
(38%)
+
VSH_B_10
QMean=0.511
P3
:
(3 Cplx.)
RUN1
pKi= 6.2
161
7.5
1.5
103904511
2C0O
(38%)
+
L2G_A_3
QMean=0.541
P1
:
(7 Cplx.)
RUN2
pKi= 6.5
162
7.5
1.4
103904592
2FO0
(40%)
+
P16_A_3
QMean=0.548
P2
:
(3 Cplx.)
RUN1
pKi= 7.7
163
7.5
0.9
103904333
3VS1
(38%)
+
VSA_B_8
QMean=0.518
P1
:
(7 Cplx.)
RUN2
pKi= 5.9
164
7.5
1.0
103904196
2Z60
(45%)
+
P3Y_A_2
QMean=0.545
P2
:
(6 Cplx.)
RUN1
pKi= 6.3
165
7.5
1.6
103904505
3VS5
(38%)
+
VSG_A_3
QMean=0.546
P1
:
(5 Cplx.)
RUN2
pKi= 6.6
166
7.5
2.3
103904647
3QRI
(45%)
+
919_A_5
QMean=0.551
P1
:
(4 Cplx.)
RUN2
pKi= 5.8
167
7.5
1.8
103904286
3VS0
(38%)
+
VS0_A_5
QMean=0.546
P1
:
(6 Cplx.)
RUN2
pKi= 6.8
168
7.5
1.2
103904315
2C0O
(38%)
+
L2G_A_3
QMean=0.541
P2
:
(3 Cplx.)
RUN2
pKi= 7.6
169
7.5
2.3
103904193
2HZI
(44%)
+
JIN_B_4
QMean=0.544
P2
:
(3 Cplx.)
RUN0
pKi= 6.7
170
7.5
1.4
103904296
3VS1
(38%)
+
VSA_B_8
QMean=0.518
P1
:
(6 Cplx.)
RUN2
pKi= 6.1
171
7.5
2.3
103904983
3VS4
(38%)
+
VSF_B_8
QMean=0.487
P1
:
(3 Cplx.)
RUN0
pKi= 6.8
172
7.5
1.8
103904193
2HZI
(44%)
+
JIN_B_4
QMean=0.544
P1
:
(7 Cplx.)
RUN2
pKi= 6.7
173
7.5
2.3
103904192
1M52
(45%)
+
P17_A_5
QMean=0.569
P1
:
(3 Cplx.)
RUN0
pKi= 6.9
174
7.5
0.9
103904196
2Z60
(45%)
+
P3Y_A_2
QMean=0.545
P1
:
(6 Cplx.)
RUN2
pKi= 6.3
175
7.5
1.1
103904276
3VRZ
(38%)
+
VRZ_B_8
QMean=0.543
P1
:
(6 Cplx.)
RUN2
pKi= 6
176
7.4
1.9
103904600
2HZI
(44%)
+
JIN_B_4
QMean=0.544
P1
:
(5 Cplx.)
RUN0
pKi= 7.9
177
7.4
1.7
103904296
3VRZ
(38%)
+
VRZ_B_8
QMean=0.543
P1
:
(5 Cplx.)
RUN0
pKi= 6.1
178
7.4
1.1
103904468
2Z60
(45%)
+
P3Y_A_2
QMean=0.545
P1
:
(3 Cplx.)
RUN1
pKi= 6
179
7.4
1.3
103904197
2HZI
(44%)
+
JIN_B_4
QMean=0.544
P1
:
(5 Cplx.)
RUN2
pKi= 6.4
180
7.4
0.8
103904567
3VS5
(38%)
+
VSG_A_3
QMean=0.546
P3
:
(3 Cplx.)
RUN1
pKi= 6.9
181
7.4
1.4
103904596
3CS9
(44%)
+
NIL_A_5
QMean=0.565
P2
:
(3 Cplx.)
RUN2
pKi= 6
182
7.4
2.3
103905245
3VS2
(38%)
+
VSB_A_3
QMean=0.520
P1
:
(4 Cplx.)
RUN1
pKi= 7.4
183
7.4
2.4
103905670
3VS1
(38%)
+
VSA_B_8
QMean=0.518
P1
:
(4 Cplx.)
RUN0
pKi= 7.2
184
7.4
1.4
103904288
3VRZ
(38%)
+
VRZ_B_8
QMean=0.543
P3
:
(3 Cplx.)
RUN1
pKi= 6.3
185
7.4
2.4
103905056
2HZ4
(45%)
+
4ST_B_4
QMean=0.519
P1
:
(7 Cplx.)
RUN2
pKi= 6.5
186
7.4
1.4
103905575
2HZI
(44%)
+
JIN_B_4
QMean=0.544
P2
:
(4 Cplx.)
RUN2
pKi= 6.7
187
7.3
1.5
103904276
3VS0
(38%)
+
VS0_A_5
QMean=0.546
P1
:
(6 Cplx.)
RUN1
pKi= 6
188
7.3
0.6
103905525
3VS2
(38%)
+
VSB_A_3
QMean=0.520
P1
:
(5 Cplx.)
RUN2
pKi= 6.1
189
7.3
2.0
103904739
2HIW
(45%)
+
7MP_D_4
QMean=0.558
P1
:
(5 Cplx.)
RUN1
pKi= 8.5
190
7.3
1.4
103904567
3DK3
(45%)
+
SX7_B_5
QMean=0.553
P2
:
(3 Cplx.)
RUN0
pKi= 6.9
191
7.3
2.4
103905113
1M52
(45%)
+
P17_A_5
QMean=0.569
P1
:
(7 Cplx.)
RUN0
pKi= 7.6
192
7.3
1.3
103904192
3VS0
(38%)
+
VS0_A_5
QMean=0.546
P1
:
(6 Cplx.)
RUN2
pKi= 6.9
193
7.3
1.3
103905095
2HZI
(44%)
+
JIN_B_4
QMean=0.544
P1
:
(11 Cplx.)
RUN2
pKi= 5.9
194
7.3
1.8
103905233
1M52
(45%)
+
P17_A_5
QMean=0.569
P2
:
(3 Cplx.)
RUN0
pKi= 6.5
195
7.3
1.7
103904402
3VS2
(38%)
+
VSB_A_3
QMean=0.520
P2
:
(3 Cplx.)
RUN1
pKi= 7.1
196
7.3
2.4
103905632
3VS0
(38%)
+
VS0_A_5
QMean=0.546
P1
:
(5 Cplx.)
RUN1
pKi= 7
197
7.3
1.4
103904335
3VS6
(38%)
+
VSH_B_10
QMean=0.511
P2
:
(4 Cplx.)
RUN1
pKi= 6.8
198
7.3
2.1
103904511
3VS0
(38%)
+
VS0_A_5
QMean=0.546
P1
:
(3 Cplx.)
RUN0
pKi= 6.5
199
7.3
2.1
103905670
3VS1
(38%)
+
VSA_B_8
QMean=0.518
P2
:
(4 Cplx.)
RUN2
pKi= 7.2
200
7.2
0.9
103904567
3VS5
(38%)
+
VSG_A_3
QMean=0.546
P3
:
(3 Cplx.)
RUN2
pKi= 6.9
201
7.2
1.4
103904402
3VS2
(38%)
+
VSB_A_3
QMean=0.520
P2
:
(3 Cplx.)
RUN2
pKi= 7.1
202
7.2
2.4
103905354
3VS5
(38%)
+
VSG_A_3
QMean=0.546
P3
:
(4 Cplx.)
RUN0
pKi= 5.8
203
7.2
2.5
103905340
3VS6
(38%)
+
VSH_B_10
QMean=0.511
P1
:
(5 Cplx.)
RUN2
pKi= 6
204
7.2
2.5
103905055
3VS1
(38%)
+
VSA_B_8
QMean=0.518
P1
:
(5 Cplx.)
RUN2
pKi= 6.5
205
7.2
1.0
103904275
3VRZ
(38%)
+
VRZ_B_8
QMean=0.543
P1
:
(7 Cplx.)
RUN2
pKi= 5.9
206
7.2
2.3
103904600
2HZI
(44%)
+
JIN_B_4
QMean=0.544
P1
:
(4 Cplx.)
RUN2
pKi= 7.9
207
7.2
1.1
103904362
3VRZ
(38%)
+
VRZ_B_8
QMean=0.543
P1
:
(7 Cplx.)
RUN1
pKi= 5.9
208
7.2
1.3
103904361
3VRZ
(38%)
+
VRZ_B_8
QMean=0.543
P1
:
(5 Cplx.)
RUN2
pKi= 6
209
7.2
1.5
103904296
3VS1
(38%)
+
VSA_B_8
QMean=0.518
P1
:
(6 Cplx.)
RUN1
pKi= 6.1
210
7.2
0.9
103904329
3VRZ
(38%)
+
VRZ_B_8
QMean=0.543
P1
:
(8 Cplx.)
RUN2
pKi= 6
211
7.2
1.8
103904362
3VS1
(38%)
+
VSA_B_8
QMean=0.518
P1
:
(3 Cplx.)
RUN0
pKi= 5.9
212
7.1
1.6
103904294
3VS0
(38%)
+
VS0_A_5
QMean=0.546
P1
:
(6 Cplx.)
RUN2
pKi= 6.8
213
7.1
2.3
103905095
3CS9
(44%)
+
NIL_A_5
QMean=0.565
P1
:
(11 Cplx.)
RUN0
pKi= 5.9
214
7.1
1.6
103904953
1M52
(45%)
+
P17_A_5
QMean=0.569
P3
:
(3 Cplx.)
RUN1
pKi= 5.9
215
7.1
1.4
103904340
3VS1
(38%)
+
VSA_B_8
QMean=0.518
P1
:
(7 Cplx.)
RUN2
pKi= 6.3
216
7.1
2.0
103905055
3VS0
(38%)
+
VS0_A_5
QMean=0.546
P3
:
(3 Cplx.)
RUN0
pKi= 6.5
217
7.1
1.4
103904362
3VS0
(38%)
+
VS0_A_5
QMean=0.546
P1
:
(6 Cplx.)
RUN2
pKi= 5.9
218
7.1
2.0
103904352
2C0O
(38%)
+
L2G_A_3
QMean=0.541
P2
:
(3 Cplx.)
RUN0
pKi= 6.2
219
7.1
1.3
103904335
3VRZ
(38%)
+
VRZ_B_8
QMean=0.543
P1
:
(5 Cplx.)
RUN2
pKi= 6.8
220
7.0
2.2
103904906
2Z60
(45%)
+
P3Y_A_2
QMean=0.545
P2
:
(3 Cplx.)
RUN0
pKi= 7.1
221
7.0
1.6
103904340
2C0O
(38%)
+
L2G_A_3
QMean=0.541
P2
:
(3 Cplx.)
RUN0
pKi= 6.3
222
7.0
1.8
103904502
2FO0
(40%)
+
P16_A_3
QMean=0.548
P2
:
(5 Cplx.)
RUN0
pKi= 6.8
223
7.0
1.8
103905056
2HZ4
(45%)
+
4ST_B_4
QMean=0.519
P1
:
(4 Cplx.)
RUN1
pKi= 6.5
224
7.0
1.6
103904284
3VS1
(38%)
+
VSA_B_8
QMean=0.518
P3
:
(3 Cplx.)
RUN0
pKi= 6.4
225
7.0
2.1
103904189
3VS0
(38%)
+
VS0_A_5
QMean=0.546
P2
:
(3 Cplx.)
RUN0
pKi= 6.7
226
7.0
2.2
103904904
2Z60
(45%)
+
P3Y_A_2
QMean=0.545
P2
:
(3 Cplx.)
RUN0
pKi= 7.1
227
7.0
2.2
103905113
3CS9
(44%)
+
NIL_A_5
QMean=0.565
P1
:
(7 Cplx.)
RUN2
pKi= 7.6
228
7.0
1.2
103905531
3BKB
(66%)
+
STU_A_13
QMean=0.566
P2
:
(3 Cplx.)
RUN1
pKi= 8.5
229
6.9
0.8
103905525
3VS5
(38%)
+
VSG_A_3
QMean=0.546
P2
:
(4 Cplx.)
RUN1
pKi= 6.1
230
6.9
1.5
103904202
2FO0
(40%)
+
P16_A_3
QMean=0.548
P1
:
(5 Cplx.)
RUN1
pKi= 5.8
231
6.9
2.0
103904963
3DK3
(45%)
+
SX7_B_5
QMean=0.553
P1
:
(6 Cplx.)
RUN0
pKi= 6.1
232
6.9
1.2
103904336
2C0O
(38%)
+
L2G_A_3
QMean=0.541
P1
:
(6 Cplx.)
RUN2
pKi= 6.6
233
6.9
1.6
103904604
2HZI
(44%)
+
JIN_B_4
QMean=0.544
P1
:
(3 Cplx.)
RUN2
pKi= 7.5
234
6.9
1.8
103904284
3VS1
(38%)
+
VSA_B_8
QMean=0.518
P1
:
(9 Cplx.)
RUN1
pKi= 6.4
235
6.9
2.2
103904649
2HZI
(44%)
+
JIN_B_4
QMean=0.544
P3
:
(3 Cplx.)
RUN0
pKi= 7.1
236
6.9
1.7
103904352
2C0O
(38%)
+
L2G_A_3
QMean=0.541
P1
:
(5 Cplx.)
RUN2
pKi= 6.2
237
6.8
2.4
103904604
3VS0
(38%)
+
VS0_A_5
QMean=0.546
P2
:
(3 Cplx.)
RUN0
pKi= 7.5
238
6.8
2.2
103905354
3VRZ
(38%)
+
VRZ_B_8
QMean=0.543
P1
:
(8 Cplx.)
RUN1
pKi= 5.8
239
6.8
2.4
103904286
2Z60
(45%)
+
P3Y_A_2
QMean=0.545
P1
:
(3 Cplx.)
RUN0
pKi= 6.8
240
6.8
1.6
103904502
1M52
(45%)
+
P17_A_5
QMean=0.569
P2
:
(7 Cplx.)
RUN2
pKi= 6.8
241
6.8
1.0
103904284
3VRZ
(38%)
+
VRZ_B_8
QMean=0.543
P1
:
(8 Cplx.)
RUN2
pKi= 6.4
242
6.8
2.1
103904202
1M52
(45%)
+
P17_A_5
QMean=0.569
P2
:
(3 Cplx.)
RUN2
pKi= 5.8
243
6.8
1.6
103905113
1M52
(45%)
+
P17_A_5
QMean=0.569
P1
:
(6 Cplx.)
RUN1
pKi= 7.6
244
6.8
1.4
103904204
3VS4
(38%)
+
VSF_B_8
QMean=0.487
P1
:
(5 Cplx.)
RUN0
pKi= 6.4
245
6.8
1.4
103904204
3VS4
(38%)
+
VSF_B_8
QMean=0.487
P2
:
(4 Cplx.)
RUN2
pKi= 6.4
246
6.8
2.3
103904649
3VS6
(38%)
+
VSH_B_10
QMean=0.511
P1
:
(6 Cplx.)
RUN2
pKi= 7.1
247
6.7
2.0
103905238
3CS9
(44%)
+
NIL_A_5
QMean=0.565
P1
:
(5 Cplx.)
RUN0
pKi= 5.9
248
6.7
1.8
103904352
3VRZ
(38%)
+
VRZ_B_8
QMean=0.543
P1
:
(4 Cplx.)
RUN1
pKi= 6.2
249
6.7
1.1
103904351
2HZN
(45%)
+
KIN_A_2
QMean=0.459
P3
:
(3 Cplx.)
RUN1
pKi= 6.1
250
6.7
1.3
103904215
2Z60
(45%)
+
P3Y_A_2
QMean=0.545
P1
:
(9 Cplx.)
RUN0
pKi= 6.9
251
6.7
1.2
103904329
3VS1
(38%)
+
VSA_B_8
QMean=0.518
P1
:
(5 Cplx.)
RUN1
pKi= 6
252
6.7
1.9
103904192
2C0O
(38%)
+
L2G_A_3
QMean=0.541
P1
:
(7 Cplx.)
RUN1
pKi= 6.9
253
6.7
2.1
103904502
1M52
(45%)
+
P17_A_5
QMean=0.569
P2
:
(4 Cplx.)
RUN1
pKi= 6.8
254
6.7
1.7
103904216
3VS5
(38%)
+
VSG_A_3
QMean=0.546
P1
:
(6 Cplx.)
RUN1
pKi= 6.3
255
6.7
1.7
103904596
2HIW
(45%)
+
7MP_D_4
QMean=0.558
P1
:
(3 Cplx.)
RUN1
pKi= 6
256
6.7
0.9
103904275
2HZN
(45%)
+
KIN_A_2
QMean=0.459
P2
:
(4 Cplx.)
RUN1
pKi= 5.9
257
6.7
2.0
103904649
2HZI
(44%)
+
JIN_B_4
QMean=0.544
P3
:
(3 Cplx.)
RUN1
pKi= 7.1
258
6.6
1.9
103905577
3VS7
(38%)
+
KS1_B_6
QMean=0.525
P1
:
(4 Cplx.)
RUN1
pKi= 6.2
259
6.6
0.9
103904215
2Z60
(45%)
+
P3Y_A_2
QMean=0.545
P1
:
(8 Cplx.)
RUN2
pKi= 6.9
260
6.6
1.5
103904610
2HZI
(44%)
+
JIN_B_4
QMean=0.544
P2
:
(3 Cplx.)
RUN0
pKi= 6.7
261
6.6
1.8
103905558
2C0O
(38%)
+
L2G_A_3
QMean=0.541
P2
:
(3 Cplx.)
RUN2
pKi= 6.5
262
6.6
1.7
103904594
2FO0
(40%)
+
P16_A_3
QMean=0.548
P2
:
(3 Cplx.)
RUN2
pKi= 8
263
6.6
2.2
103904189
3VS7
(38%)
+
KS1_B_6
QMean=0.525
P1
:
(8 Cplx.)
RUN1
pKi= 6.7
264
6.5
0.9
103904786
3DK3
(45%)
+
SX7_B_5
QMean=0.553
P2
:
(3 Cplx.)
RUN1
pKi= 6.9
265
6.5
2.2
103904677
3VS0
(38%)
+
VS0_A_5
QMean=0.546
P1
:
(4 Cplx.)
RUN1
pKi= 5.9
266
6.5
2.0
103904216
3VS0
(38%)
+
VS0_A_5
QMean=0.546
P3
:
(3 Cplx.)
RUN2
pKi= 6.3
267
6.5
1.5
103905233
2C0T
(38%)
+
L3G_A_3
QMean=0.532
P1
:
(9 Cplx.)
RUN2
pKi= 6.5
268
6.5
1.4
103905055
2C0O
(38%)
+
L2G_A_3
QMean=0.541
P1
:
(4 Cplx.)
RUN1
pKi= 6.5
269
6.5
1.8
103905590
3VRZ
(38%)
+
VRZ_B_8
QMean=0.543
P1
:
(8 Cplx.)
RUN1
pKi= 6
270
6.5
0.9
103904215
2Z60
(45%)
+
P3Y_A_2
QMean=0.545
P1
:
(8 Cplx.)
RUN1
pKi= 6.9
271
6.4
2.1
103904193
3VS7
(38%)
+
KS1_B_6
QMean=0.525
P1
:
(6 Cplx.)
RUN1
pKi= 6.7
272
6.4
1.8
103904604
1M52
(45%)
+
P17_A_5
QMean=0.569
P1
:
(7 Cplx.)
RUN1
pKi= 7.5
273
6.4
1.2
103904593
1M52
(45%)
+
P17_A_5
QMean=0.569
P2
:
(3 Cplx.)
RUN2
pKi= 7.5
274
6.4
1.5
103905095
3KF4
(45%)
+
B90_A_3
QMean=0.568
P1
:
(11 Cplx.)
RUN1
pKi= 5.9
275
6.4
2.0
103905112
3DK3
(45%)
+
SX7_B_5
QMean=0.553
P1
:
(8 Cplx.)
RUN1
pKi= 6.5
276
6.4
1.3
103904983
3VRZ
(38%)
+
VRZ_B_8
QMean=0.543
P1
:
(7 Cplx.)
RUN1
pKi= 6.8
277
6.4
1.9
103904593
1M52
(45%)
+
P17_A_5
QMean=0.569
P1
:
(6 Cplx.)
RUN1
pKi= 7.5
278
6.4
1.0
103904786
3DK3
(45%)
+
SX7_B_5
QMean=0.553
P1
:
(4 Cplx.)
RUN0
pKi= 6.9
279
6.3
1.5
103904638
3VS6
(38%)
+
VSH_B_10
QMean=0.511
P1
:
(3 Cplx.)
RUN2
pKi= 5.8
280
6.3
1.8
103905212
2HZI
(44%)
+
JIN_B_4
QMean=0.544
P1
:
(3 Cplx.)
RUN0
pKi= 6.1
281
6.3
2.1
103904647
3VS4
(38%)
+
VSF_B_8
QMean=0.487
P1
:
(3 Cplx.)
RUN1
pKi= 5.8
282
6.3
1.1
103904610
2FO0
(40%)
+
P16_A_3
QMean=0.548
P1
:
(6 Cplx.)
RUN2
pKi= 6.7
283
6.3
2.2
103905578
3VRZ
(38%)
+
VRZ_B_8
QMean=0.543
P1
:
(4 Cplx.)
RUN1
pKi= 5.9
284
6.3
0.9
103904786
2Z60
(45%)
+
P3Y_A_2
QMean=0.545
P4
:
(3 Cplx.)
RUN2
pKi= 6.9
285
6.2
2.0
103904204
3VS7
(38%)
+
KS1_B_6
QMean=0.525
P1
:
(4 Cplx.)
RUN1
pKi= 6.4
286
6.2
2.0
103905577
2C0T
(38%)
+
L3G_A_3
QMean=0.532
P2
:
(3 Cplx.)
RUN2
pKi= 6.2
287
6.2
0.8
103905212
3DK3
(45%)
+
SX7_B_5
QMean=0.553
P1
:
(3 Cplx.)
RUN1
pKi= 6.1
288
6.2
2.2
103904746
3VS1
(38%)
+
VSA_B_8
QMean=0.518
P1
:
(5 Cplx.)
RUN1
pKi= 5.8
289
6.2
1.8
103904594
2FO0
(40%)
+
P16_A_3
QMean=0.548
P2
:
(5 Cplx.)
RUN1
pKi= 8
290
6.2
2.3
103904940
2Z60
(45%)
+
P3Y_A_2
QMean=0.545
P2
:
(3 Cplx.)
RUN0
pKi= 6.2
291
6.2
1.7
103905233
2C0T
(38%)
+
L3G_A_3
QMean=0.532
P1
:
(7 Cplx.)
RUN1
pKi= 6.5
292
6.1
0.8
103905212
3DK3
(45%)
+
SX7_B_5
QMean=0.553
P3
:
(3 Cplx.)
RUN2
pKi= 6.1
293
6.1
1.4
103904983
3VRZ
(38%)
+
VRZ_B_8
QMean=0.543
P1
:
(9 Cplx.)
RUN2
pKi= 6.8
294
6.1
1.9
103905027
3VS1
(38%)
+
VSA_B_8
QMean=0.518
P1
:
(4 Cplx.)
RUN1
pKi= 6
295
6.0
1.6
103904600
3CS9
(44%)
+
NIL_A_5
QMean=0.565
P1
:
(3 Cplx.)
RUN1
pKi= 7.9
296
6.0
1.7
103904403
2C0O
(38%)
+
L2G_A_3
QMean=0.541
P1
:
(3 Cplx.)
RUN1
pKi= 6.3
297
6.0
2.1
103905675
1M52
(45%)
+
P17_A_5
QMean=0.569
P2
:
(3 Cplx.)
RUN0
pKi= 7.3
298
6.0
1.6
103904197
1M52
(45%)
+
P17_A_5
QMean=0.569
P2
:
(3 Cplx.)
RUN1
pKi= 6.4
299
6.0
1.2
103904940
2Z60
(45%)
+
P3Y_A_2
QMean=0.545
P1
:
(5 Cplx.)
RUN1
pKi= 6.2
300
6.0
1.9
103905112
2Z60
(45%)
+
P3Y_A_2
QMean=0.545
P3
:
(3 Cplx.)
RUN2
pKi= 6.5
301
5.9
1.6
103904904
3VS6
(38%)
+
VSH_B_10
QMean=0.511
P1
:
(6 Cplx.)
RUN2
pKi= 7.1
302
5.9
1.6
103904906
3VS6
(38%)
+
VSH_B_10
QMean=0.511
P1
:
(4 Cplx.)
RUN2
pKi= 7.1
303
5.9
1.5
103904610
2HZI
(44%)
+
JIN_B_4
QMean=0.544
P3
:
(3 Cplx.)
RUN1
pKi= 6.7
304
5.9
1.8
103904963
1FPU
(45%)
+
PRC_D_4
QMean=0.565
P1
:
(5 Cplx.)
RUN2
pKi= 6.1
305
5.9
1.2
103904364
3DK3
(45%)
+
SX7_B_5
QMean=0.553
P1
:
(6 Cplx.)
RUN0
pKi= 6.2
306
5.9
1.8
103905575
1M52
(45%)
+
P17_A_5
QMean=0.569
P2
:
(3 Cplx.)
RUN1
pKi= 6.7
307
5.9
2.0
103904789
3VS7
(38%)
+
KS1_B_6
QMean=0.525
P1
:
(10 Cplx.)
RUN2
pKi= 6
308
5.8
1.5
103904963
2Z60
(45%)
+
P3Y_A_2
QMean=0.545
P1
:
(4 Cplx.)
RUN1
pKi= 6.1
309
5.8
1.8
103904403
2HZI
(44%)
+
JIN_B_4
QMean=0.544
P1
:
(3 Cplx.)
RUN2
pKi= 6.3
310
5.8
1.6
103905238
1M52
(45%)
+
P17_A_5
QMean=0.569
P1
:
(3 Cplx.)
RUN2
pKi= 5.9
311
5.7
2.4
103904884
3VS1
(38%)
+
VSA_B_8
QMean=0.518
P1
:
(5 Cplx.)
RUN2
pKi= 6
312
5.7
2.4
103905414
3KF4
(45%)
+
B90_A_3
QMean=0.568
P2
:
(5 Cplx.)
RUN1
pKi= 6.3
313
5.7
2.3
103905608
3VS1
(38%)
+
VSA_B_8
QMean=0.518
P1
:
(4 Cplx.)
RUN1
pKi= 6.9
314
5.7
1.5
103904940
2Z60
(45%)
+
P3Y_A_2
QMean=0.545
P1
:
(5 Cplx.)
RUN2
pKi= 6.2
315
5.7
2.4
103904987
3VS1
(38%)
+
VSA_B_8
QMean=0.518
P1
:
(7 Cplx.)
RUN1
pKi= 5.8
316
5.6
2.4
103904987
3VRZ
(38%)
+
VRZ_B_8
QMean=0.543
P1
:
(7 Cplx.)
RUN2
pKi= 5.8
317
5.6
2.1
103904601
3VS0
(38%)
+
VS0_A_5
QMean=0.546
P1
:
(3 Cplx.)
RUN1
pKi= 8
318
5.6
1.7
103905238
2HZI
(44%)
+
JIN_B_4
QMean=0.544
P1
:
(5 Cplx.)
RUN1
pKi= 5.9
319
5.5
2.4
103904709
3DK3
(45%)
+
SX7_B_5
QMean=0.553
P1
:
(4 Cplx.)
RUN0
pKi= 6.4
320
5.5
1.6
103904789
3VS4
(38%)
+
VSF_B_8
QMean=0.487
P1
:
(8 Cplx.)
RUN1
pKi= 6
321
5.3
2.4
103904677
3VS0
(38%)
+
VS0_A_5
QMean=0.546
P2
:
(3 Cplx.)
RUN2
pKi= 5.9
322
5.2
1.9
103905675
3VS1
(38%)
+
VSA_B_8
QMean=0.518
P3
:
(3 Cplx.)
RUN2
pKi= 7.3
323
5.2
1.7
103904906
2C0O
(38%)
+
L2G_A_3
QMean=0.541
P3
:
(3 Cplx.)
RUN1
pKi= 7.1
324
5.2
2.4
103904884
3VS1
(38%)
+
VSA_B_8
QMean=0.518
P1
:
(4 Cplx.)
RUN1
pKi= 6
325
5.1
2.3
103905414
2HZI
(44%)
+
JIN_B_4
QMean=0.544
P3
:
(3 Cplx.)
RUN2
pKi= 6.3
326
5.0
2.1
103905675
1M52
(45%)
+
P17_A_5
QMean=0.569
P1
:
(5 Cplx.)
RUN1
pKi= 7.3
327
4.9
1.5
103904904
3VS2
(38%)
+
VSB_A_3
QMean=0.520
P3
:
(3 Cplx.)
RUN1
pKi= 7.1
Correlation coefficient (Pearson) between mesured and calculated pKd: R=0.21
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