Screening Results : Docking based on all models from entry : DYR1B_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
103904193
103904197
103904198
103904199
103904200
103904204
103904207
103904208
103904216
103904252
103904253
103904262
103904263
103904264
103904271
103904325
103904402
103904404
103904405
103904406
103904441
103904442
103904462
103904485
103904486
103904505
103904506
103904507
103904554
103904575
103904577
103904584
103904585
103904590
103904591
103904598
103904599
103904601
103904636
103904637
103904639
103904644
103904645
103904646
103904656
103904671
103904676
103904679
103904682
103904683
103904704
103904706
103904707
103904708
103904709
103904735
103904739
103904786
103904801
103904806
103904807
103904814
103904818
103904820
103904821
103904824
103904825
103904826
103904854
103904862
103904867
103904869
103904870
103904871
103904874
103904879
103904893
103904905
103904935
103904936
103904941
103904943
103904960
103904976
103904977
103904984
103904985
103904986
103904990
103905004
103905008
103905027
103905029
103905031
103905040
103905073
103905083
103905087
103905089
103905093
103905107
103905111
103905115
103905122
103905123
103905134
103905135
103905138
103905159
103905163
103905167
103905183
103905200
103905201
103905203
103905207
103905213
103905214
103905226
103905229
103905230
103905232
103905236
103905239
103905244
103905273
103905274
103905275
103905276
103905277
103905282
103905295
103905297
103905306
103905311
103905317
103905326
103905327
103905329
103905347
103905353
103905362
103905368
103905394
103905401
103905406
103905412
103905416
103905433
103905435
103905439
103905447
103905452
103905456
103905460
103905462
103905468
103905474
103905475
103905485
103905499
103905500
103905501
103905503
103905504
103905508
103905519
103905521
103905527
103905528
103905531
103905536
103905552
103905553
103905557
103905558
103905560
103905573
103905579
103905580
103905589
103905595
103905600
103905601
103905602
103905604
103905607
103905611
103905613
103905614
103905615
103905620
103905639
103905651
103905652
103905654
103905655
103905658
103905660
103905661
103905664
103905668
103905669
103905673
103905677
103905679
Complex support
[Template
(Ident)
+ Anchor]
Model Quality
(QMean)
Position of Lig.
Study
Measure
1
6.5
1.2
103904554
3I4B
(31%)
+
Z48_B_4
QMean=0.345
P2
:
(4 Cplx.)
RUN2
pKi= 5.8
2
7.7
1.2
103904263
3NR9
(32%)
+
NR9_C_6
QMean=0.428
P1
:
(8 Cplx.)
RUN2
pKi= 6.5
3
8.2
1.2
103904199
3NR9
(32%)
+
NR9_C_6
QMean=0.428
P2
:
(4 Cplx.)
RUN2
pKi= 7.6
4
8.6
1.2
103904505
3NR9
(32%)
+
NR9_C_6
QMean=0.428
P1
:
(3 Cplx.)
RUN2
pKi= 7.8
5
6.2
1.2
103904198
1Z57
(32%)
+
DBQ_A_2
QMean=0.426
P3
:
(3 Cplx.)
RUN2
pKi= 5.4
6
5.0
1.3
103904709
3RAW
(31%)
+
3RA_B_4
QMean=0.411
P2
:
(4 Cplx.)
RUN1
pKi= 4.2
7
4.6
1.3
103905123
4ACG
(31%)
+
6LQ_B_4
QMean=0.301
P2
:
(3 Cplx.)
RUN2
pKi= 4.8
8
6.0
1.3
103905669
3PUP
(31%)
+
OS1_B_4
QMean=0.339
P3
:
(3 Cplx.)
RUN2
pKi= 7.5
9
6.0
1.3
103904198
1Z57
(32%)
+
DBQ_A_2
QMean=0.426
P3
:
(3 Cplx.)
RUN1
pKi= 5.4
10
5.4
1.3
103905508
4ACG
(31%)
+
6LQ_B_4
QMean=0.301
P2
:
(4 Cplx.)
RUN2
pKi= 5.7
11
5.8
1.3
103904252
1Q4L
(31%)
+
679_A_3
QMean=0.293
P3
:
(3 Cplx.)
RUN1
pKi= 7.8
12
6.4
1.3
103905362
3RAW
(31%)
+
3RA_B_4
QMean=0.411
P2
:
(3 Cplx.)
RUN2
pKi= 6.5
13
7.7
1.3
103904216
3NR9
(32%)
+
NR9_C_6
QMean=0.428
P1
:
(7 Cplx.)
RUN1
pKi= 6.5
14
7.2
1.3
103905083
1Z57
(32%)
+
DBQ_A_2
QMean=0.426
P2
:
(3 Cplx.)
RUN1
pKi= 6
15
7.8
1.3
103904189
3NR9
(32%)
+
NR9_C_6
QMean=0.428
P1
:
(7 Cplx.)
RUN1
pKi= 8.6
16
7.8
1.3
103904193
3NR9
(32%)
+
NR9_C_6
QMean=0.428
P1
:
(7 Cplx.)
RUN1
pKi= 8.6
17
7.9
1.3
103904216
3NR9
(32%)
+
NR9_C_6
QMean=0.428
P1
:
(3 Cplx.)
RUN2
pKi= 6.5
18
6.8
1.3
103905089
1Z57
(32%)
+
DBQ_A_2
QMean=0.426
P2
:
(3 Cplx.)
RUN2
pKi= 6.6
19
4.5
1.3
103905447
2JLD
(31%)
+
AG1_B_5
QMean=0.328
P2
:
(3 Cplx.)
RUN2
pKi= 4.3
20
7.7
1.3
103904204
3NR9
(32%)
+
NR9_C_6
QMean=0.428
P1
:
(7 Cplx.)
RUN2
pKi= 6.3
21
7.9
1.4
103904818
2JLD
(31%)
+
AG1_B_5
QMean=0.328
P2
:
(3 Cplx.)
RUN1
pKi= 7.6
22
7.1
1.4
103904263
3NR9
(32%)
+
NR9_C_6
QMean=0.428
P2
:
(4 Cplx.)
RUN1
pKi= 6.5
23
6.1
1.4
103905669
1Z57
(32%)
+
DBQ_A_2
QMean=0.426
P2
:
(4 Cplx.)
RUN1
pKi= 7.5
24
7.8
1.4
103904263
3NR9
(32%)
+
NR9_C_6
QMean=0.428
P2
:
(4 Cplx.)
RUN0
pKi= 6.5
25
7.2
1.4
103904262
3NR9
(32%)
+
NR9_C_6
QMean=0.428
P1
:
(7 Cplx.)
RUN2
pKi= 7.4
26
6.6
1.4
103905275
1Z57
(32%)
+
DBQ_A_2
QMean=0.426
P2
:
(3 Cplx.)
RUN2
pKi= 6.1
27
4.6
1.4
103905580
1Z57
(32%)
+
DBQ_A_2
QMean=0.426
P3
:
(3 Cplx.)
RUN2
pKi= 5.2
28
4.8
1.4
103905123
4ACG
(31%)
+
6LQ_B_4
QMean=0.301
P3
:
(3 Cplx.)
RUN1
pKi= 4.8
29
4.7
1.4
103905580
1Z57
(32%)
+
DBQ_A_2
QMean=0.426
P3
:
(3 Cplx.)
RUN1
pKi= 5.2
30
6.3
1.4
103905669
3NR9
(32%)
+
NR9_C_6
QMean=0.428
P3
:
(4 Cplx.)
RUN0
pKi= 7.5
31
7.8
1.4
103904486
3L1S
(31%)
+
Z92_B_5
QMean=0.359
P1
:
(4 Cplx.)
RUN1
pKi= 8.7
32
7.9
1.5
103904204
3NR9
(32%)
+
NR9_C_6
QMean=0.428
P3
:
(3 Cplx.)
RUN0
pKi= 6.3
33
6.3
1.5
103905230
3NR9
(32%)
+
NR9_C_6
QMean=0.428
P3
:
(3 Cplx.)
RUN1
pKi= 4.5
34
5.8
1.5
103905167
1Z57
(32%)
+
DBQ_A_2
QMean=0.426
P1
:
(3 Cplx.)
RUN1
pKi= 8
35
6.3
1.5
103905275
1Z57
(32%)
+
DBQ_A_2
QMean=0.426
P2
:
(3 Cplx.)
RUN1
pKi= 6.1
36
5.9
1.5
103904506
3RAW
(31%)
+
3RA_B_4
QMean=0.411
P3
:
(3 Cplx.)
RUN1
pKi= 7
37
6.5
1.5
103904207
3NR9
(32%)
+
NR9_C_6
QMean=0.428
P3
:
(3 Cplx.)
RUN1
pKi= 6.4
38
7.5
1.5
103904406
4BGQ
(35%)
+
38R_A_3
QMean=0.401
P2
:
(3 Cplx.)
RUN1
pKi= 7
39
6.5
1.5
103904575
4BGQ
(35%)
+
38R_A_3
QMean=0.401
P2
:
(3 Cplx.)
RUN1
pKi= 6.5
40
6.0
1.5
103905613
3NR9
(32%)
+
NR9_C_6
QMean=0.428
P2
:
(3 Cplx.)
RUN0
pKi= 7.3
41
8.2
1.5
103904253
3NR9
(32%)
+
NR9_C_6
QMean=0.428
P1
:
(5 Cplx.)
RUN0
pKi= 7.3
42
8.3
1.5
103904253
3NR9
(32%)
+
NR9_C_6
QMean=0.428
P2
:
(3 Cplx.)
RUN2
pKi= 7.3
43
8.1
1.5
103904199
3NR9
(32%)
+
NR9_C_6
QMean=0.428
P1
:
(6 Cplx.)
RUN0
pKi= 7.6
44
6.2
1.5
103904554
1Z57
(32%)
+
DBQ_A_2
QMean=0.426
P3
:
(3 Cplx.)
RUN1
pKi= 5.8
45
6.3
1.5
103904990
1Z57
(32%)
+
DBQ_A_2
QMean=0.426
P3
:
(3 Cplx.)
RUN2
pKi= 7
46
8.0
1.6
103904216
3NR9
(32%)
+
NR9_C_6
QMean=0.428
P2
:
(4 Cplx.)
RUN0
pKi= 6.5
47
7.7
1.6
103904200
3NR9
(32%)
+
NR9_C_6
QMean=0.428
P1
:
(8 Cplx.)
RUN1
pKi= 7.8
48
7.5
1.6
103905083
3L1S
(31%)
+
Z92_B_5
QMean=0.359
P2
:
(3 Cplx.)
RUN2
pKi= 6
49
5.4
1.6
103905416
4ACG
(31%)
+
6LQ_B_4
QMean=0.301
P3
:
(3 Cplx.)
RUN2
pKi= 4.5
50
7.7
1.6
103904190
3NR9
(32%)
+
NR9_C_6
QMean=0.428
P1
:
(6 Cplx.)
RUN1
pKi= 7.8
51
4.5
1.6
103905167
4ACG
(31%)
+
6LQ_B_4
QMean=0.301
P1
:
(3 Cplx.)
RUN2
pKi= 8
52
6.0
1.6
103905167
1Z57
(32%)
+
DBQ_A_2
QMean=0.426
P2
:
(4 Cplx.)
RUN0
pKi= 8
53
4.1
1.6
103905236
2JLD
(31%)
+
AG1_B_5
QMean=0.328
P2
:
(4 Cplx.)
RUN1
pKi= 4.1
54
5.7
1.6
103905115
3RAW
(31%)
+
3RA_B_4
QMean=0.411
P3
:
(3 Cplx.)
RUN2
pKi= 5.7
55
4.1
1.6
103905306
3PUP
(31%)
+
OS1_B_4
QMean=0.339
P1
:
(4 Cplx.)
RUN1
pKi= 5.5
56
5.5
1.6
103905552
3RAW
(31%)
+
3RA_B_4
QMean=0.411
P2
:
(4 Cplx.)
RUN2
pKi= 7.2
57
6.9
1.6
103905273
1Z57
(32%)
+
DBQ_A_2
QMean=0.426
P3
:
(3 Cplx.)
RUN2
pKi= 6.1
58
5.3
1.6
103905508
4ACG
(31%)
+
6LQ_B_4
QMean=0.301
P1
:
(6 Cplx.)
RUN1
pKi= 5.7
59
5.6
1.6
103905501
1Z57
(32%)
+
DBQ_A_2
QMean=0.426
P2
:
(3 Cplx.)
RUN1
pKi= 4.2
60
5.2
1.6
103905207
3NR9
(32%)
+
NR9_C_6
QMean=0.428
P3
:
(3 Cplx.)
RUN2
pKi= 7.8
61
5.8
1.6
103904820
2JLD
(31%)
+
AG1_B_5
QMean=0.328
P2
:
(5 Cplx.)
RUN2
pKi= 6.4
62
7.8
1.6
103904189
3M1S
(31%)
+
DW1_B_4
QMean=0.306
P1
:
(7 Cplx.)
RUN2
pKi= 8.6
63
6.1
1.6
103905138
1Z57
(32%)
+
DBQ_A_2
QMean=0.426
P2
:
(3 Cplx.)
RUN2
pKi= 5.9
64
7.1
1.6
103904644
4BGQ
(35%)
+
38R_A_3
QMean=0.401
P2
:
(3 Cplx.)
RUN1
pKi= 5.6
65
5.6
1.6
103905501
1Z57
(32%)
+
DBQ_A_2
QMean=0.426
P2
:
(3 Cplx.)
RUN0
pKi= 4.2
66
6.9
1.6
103904191
3NR9
(32%)
+
NR9_C_6
QMean=0.428
P2
:
(5 Cplx.)
RUN1
pKi= 8.4
67
6.8
1.6
103905602
3L1S
(31%)
+
Z92_B_5
QMean=0.359
P1
:
(4 Cplx.)
RUN1
pKi= 6.1
68
6.7
1.6
103905655
4BGQ
(35%)
+
38R_A_3
QMean=0.401
P2
:
(4 Cplx.)
RUN1
pKi= 5.6
69
5.2
1.6
103904854
3NR9
(32%)
+
NR9_C_6
QMean=0.428
P3
:
(3 Cplx.)
RUN1
pKi= 4.7
70
7.2
1.6
103905277
3NR9
(32%)
+
NR9_C_6
QMean=0.428
P2
:
(4 Cplx.)
RUN2
pKi= 6.9
71
4.5
1.6
103905353
4ACG
(31%)
+
6LQ_B_4
QMean=0.301
P2
:
(3 Cplx.)
RUN1
pKi= 4
72
6.4
1.7
103905295
1Z57
(32%)
+
DBQ_A_2
QMean=0.426
P3
:
(3 Cplx.)
RUN1
pKi= 5.7
73
6.8
1.7
103904682
3L1S
(31%)
+
Z92_B_5
QMean=0.359
P1
:
(5 Cplx.)
RUN1
pKi= 7.4
74
6.1
1.7
103905230
3NR9
(32%)
+
NR9_C_6
QMean=0.428
P2
:
(3 Cplx.)
RUN2
pKi= 4.5
75
4.9
1.7
103905527
2JLD
(31%)
+
AG1_B_5
QMean=0.328
P3
:
(3 Cplx.)
RUN2
pKi= 4.5
76
6.1
1.7
103905317
3NR9
(32%)
+
NR9_C_6
QMean=0.428
P2
:
(3 Cplx.)
RUN1
pKi= 6
77
5.2
1.7
103905327
3RAW
(31%)
+
3RA_B_4
QMean=0.411
P2
:
(3 Cplx.)
RUN2
pKi= 4.3
78
4.7
1.7
103905244
1Z57
(32%)
+
DBQ_A_2
QMean=0.426
P3
:
(4 Cplx.)
RUN2
pKi= 4.4
79
5.5
1.7
103905552
3RAW
(31%)
+
3RA_B_4
QMean=0.411
P3
:
(4 Cplx.)
RUN0
pKi= 7.2
80
5.4
1.7
103905029
3RAW
(31%)
+
3RA_B_4
QMean=0.411
P4
:
(3 Cplx.)
RUN1
pKi= 5.2
81
6.9
1.7
103904821
3L1S
(31%)
+
Z92_B_5
QMean=0.359
P1
:
(6 Cplx.)
RUN2
pKi= 5.7
82
6.0
1.7
103905317
1Z57
(32%)
+
DBQ_A_2
QMean=0.426
P2
:
(3 Cplx.)
RUN2
pKi= 6
83
7.2
1.7
103905276
1Z57
(32%)
+
DBQ_A_2
QMean=0.426
P3
:
(3 Cplx.)
RUN2
pKi= 5.8
84
6.1
1.7
103904735
3NR9
(32%)
+
NR9_C_6
QMean=0.428
P1
:
(4 Cplx.)
RUN1
pKi= 7.9
85
8.2
1.7
103904941
1PYX
(31%)
+
ANP_A_7
QMean=0.361
P1
:
(4 Cplx.)
RUN1
pKi= 5.7
86
6.6
1.7
103905368
3L1S
(31%)
+
Z92_B_5
QMean=0.359
P1
:
(3 Cplx.)
RUN2
pKi= 6.8
87
6.4
1.7
103904208
3NR9
(32%)
+
NR9_C_6
QMean=0.428
P1
:
(7 Cplx.)
RUN1
pKi= 8.7
88
6.2
1.7
103904735
3NR9
(32%)
+
NR9_C_6
QMean=0.428
P4
:
(3 Cplx.)
RUN0
pKi= 7.9
89
6.0
1.7
103904198
1Z57
(32%)
+
DBQ_A_2
QMean=0.426
P2
:
(3 Cplx.)
RUN0
pKi= 5.4
90
6.6
1.7
103905435
1Z57
(32%)
+
DBQ_A_2
QMean=0.426
P3
:
(3 Cplx.)
RUN1
pKi= 6.7
91
5.7
1.7
103905122
3NR9
(32%)
+
NR9_C_6
QMean=0.428
P2
:
(4 Cplx.)
RUN2
pKi= 4.9
92
6.2
1.7
103905138
3NR9
(32%)
+
NR9_C_6
QMean=0.428
P2
:
(4 Cplx.)
RUN0
pKi= 5.9
93
5.3
1.7
103905435
4ACD
(31%)
+
GR9_B_4
QMean=0.320
P1
:
(3 Cplx.)
RUN2
pKi= 6.7
94
7.5
1.7
103905661
2JLD
(31%)
+
AG1_B_5
QMean=0.328
P2
:
(3 Cplx.)
RUN2
pKi= 7
95
7.3
1.7
103904814
3I4B
(31%)
+
Z48_B_4
QMean=0.345
P1
:
(5 Cplx.)
RUN1
pKi= 5.6
96
7.4
1.7
103904575
3L1S
(31%)
+
Z92_B_5
QMean=0.359
P1
:
(6 Cplx.)
RUN2
pKi= 6.5
97
6.5
1.7
103904708
3NR9
(32%)
+
NR9_C_6
QMean=0.428
P3
:
(4 Cplx.)
RUN1
pKi= 6.5
98
4.3
1.7
103905462
3M1S
(31%)
+
DW1_B_4
QMean=0.306
P2
:
(4 Cplx.)
RUN1
pKi= 4.8
99
7.0
1.8
103905276
1Z57
(32%)
+
DBQ_A_2
QMean=0.426
P1
:
(4 Cplx.)
RUN1
pKi= 5.8
100
5.5
1.8
103905416
3NR9
(32%)
+
NR9_C_6
QMean=0.428
P2
:
(5 Cplx.)
RUN1
pKi= 4.5
101
4.7
1.8
103904577
1Z57
(32%)
+
DBQ_A_2
QMean=0.426
P1
:
(7 Cplx.)
RUN1
pKi= 4.5
102
8.3
1.8
103904485
4ACG
(31%)
+
6LQ_B_4
QMean=0.301
P3
:
(3 Cplx.)
RUN2
pKi= 6.8
103
7.6
1.8
103904197
3M1S
(31%)
+
DW1_B_4
QMean=0.306
P2
:
(6 Cplx.)
RUN0
pKi= 8.1
104
6.1
1.8
103905614
2JLD
(31%)
+
AG1_B_5
QMean=0.328
P2
:
(3 Cplx.)
RUN1
pKi= 6.8
105
5.6
1.8
103905401
4FG7
(31%)
+
ATP_A_2
QMean=0.453
P2
:
(3 Cplx.)
RUN2
pKi= 4.4
106
4.3
1.8
103905485
2JLD
(31%)
+
AG1_B_5
QMean=0.328
P1
:
(6 Cplx.)
RUN2
pKi= 4.2
107
5.3
1.8
103905115
2JLD
(31%)
+
AG1_B_5
QMean=0.328
P1
:
(6 Cplx.)
RUN1
pKi= 5.7
108
7.9
1.8
103904644
1Z57
(32%)
+
DBQ_A_2
QMean=0.426
P3
:
(3 Cplx.)
RUN2
pKi= 5.6
109
7.3
1.8
103905573
3RAW
(31%)
+
3RA_B_4
QMean=0.411
P2
:
(3 Cplx.)
RUN0
pKi= 6.9
110
6.0
1.8
103904207
4ACD
(31%)
+
GR9_B_4
QMean=0.320
P2
:
(4 Cplx.)
RUN2
pKi= 6.4
111
5.7
1.8
103905031
1Z57
(32%)
+
DBQ_A_2
QMean=0.426
P2
:
(3 Cplx.)
RUN0
pKi= 4.3
112
6.7
1.8
103905163
2JLD
(31%)
+
AG1_B_5
QMean=0.328
P3
:
(3 Cplx.)
RUN2
pKi= 6
113
3.2
1.8
103904656
1Z57
(32%)
+
DBQ_A_2
QMean=0.426
P1
:
(4 Cplx.)
RUN2
pKi= 4.4
114
6.6
1.8
103905406
4ACD
(31%)
+
GR9_B_4
QMean=0.320
P1
:
(4 Cplx.)
RUN2
pKi= 6.1
115
5.3
1.8
103905031
1Z57
(32%)
+
DBQ_A_2
QMean=0.426
P2
:
(4 Cplx.)
RUN2
pKi= 4.3
116
4.6
1.8
103905462
2JLD
(31%)
+
AG1_B_5
QMean=0.328
P2
:
(4 Cplx.)
RUN2
pKi= 4.8
117
5.7
1.8
103905474
3RAW
(31%)
+
3RA_B_4
QMean=0.411
P3
:
(3 Cplx.)
RUN1
pKi= 4.6
118
6.9
1.8
103905553
3I4B
(31%)
+
Z48_B_4
QMean=0.345
P1
:
(4 Cplx.)
RUN1
pKi= 5.7
119
8.6
1.8
103905615
2JLD
(31%)
+
AG1_B_5
QMean=0.328
P2
:
(3 Cplx.)
RUN2
pKi= 5.6
120
6.2
1.8
103905229
1Z57
(32%)
+
DBQ_A_2
QMean=0.426
P3
:
(3 Cplx.)
RUN1
pKi= 4.1
121
5.9
1.8
103904820
3L1S
(31%)
+
Z92_B_5
QMean=0.359
P1
:
(4 Cplx.)
RUN1
pKi= 6.4
122
4.4
1.8
103905244
3NR9
(32%)
+
NR9_C_6
QMean=0.428
P2
:
(4 Cplx.)
RUN1
pKi= 4.4
123
5.2
1.8
103905031
1Z57
(32%)
+
DBQ_A_2
QMean=0.426
P3
:
(3 Cplx.)
RUN1
pKi= 4.3
124
4.7
1.8
103905236
2JLD
(31%)
+
AG1_B_5
QMean=0.328
P1
:
(6 Cplx.)
RUN2
pKi= 4.1
125
5.2
1.8
103905600
2JLD
(31%)
+
AG1_B_5
QMean=0.328
P1
:
(5 Cplx.)
RUN2
pKi= 6.2
126
8.0
1.8
103904193
3M1S
(31%)
+
DW1_B_4
QMean=0.306
P1
:
(7 Cplx.)
RUN0
pKi= 8.6
127
5.3
1.8
103905639
3RAW
(31%)
+
3RA_B_4
QMean=0.411
P3
:
(3 Cplx.)
RUN2
pKi= 7.8
128
6.4
1.8
103905368
4ACD
(31%)
+
GR9_B_4
QMean=0.320
P2
:
(3 Cplx.)
RUN1
pKi= 6.8
129
6.1
1.8
103904191
3PUP
(31%)
+
OS1_B_4
QMean=0.339
P2
:
(3 Cplx.)
RUN2
pKi= 8.4
130
7.3
1.8
103904814
2JLD
(31%)
+
AG1_B_5
QMean=0.328
P2
:
(3 Cplx.)
RUN2
pKi= 5.6
131
5.8
1.9
103905200
3L1S
(31%)
+
Z92_B_5
QMean=0.359
P3
:
(3 Cplx.)
RUN1
pKi= 4
132
6.2
1.9
103904405
3M1S
(31%)
+
DW1_B_4
QMean=0.306
P2
:
(4 Cplx.)
RUN1
pKi= 7.8
133
5.5
1.9
103904990
4ACC
(31%)
+
7YG_A_5
QMean=0.326
P2
:
(4 Cplx.)
RUN1
pKi= 7
134
7.9
1.9
103904189
3M1S
(31%)
+
DW1_B_4
QMean=0.306
P2
:
(6 Cplx.)
RUN0
pKi= 8.6
135
3.8
1.9
103905499
4ACC
(31%)
+
7YG_A_5
QMean=0.326
P1
:
(4 Cplx.)
RUN1
pKi= 5
136
4.4
1.9
103905485
2JLD
(31%)
+
AG1_B_5
QMean=0.328
P1
:
(7 Cplx.)
RUN1
pKi= 4.2
137
8.9
1.9
103904960
2JLD
(31%)
+
AG1_B_5
QMean=0.328
P3
:
(3 Cplx.)
RUN2
pKi= 6.2
138
8.1
1.9
103904197
2JLD
(31%)
+
AG1_B_5
QMean=0.328
P1
:
(5 Cplx.)
RUN2
pKi= 8.1
139
4.5
1.9
103905394
4ACG
(31%)
+
6LQ_B_4
QMean=0.301
P3
:
(3 Cplx.)
RUN1
pKi= 4.9
140
5.7
1.9
103904639
1PYX
(31%)
+
ANP_A_7
QMean=0.361
P2
:
(3 Cplx.)
RUN2
pKi= 5.9
141
6.6
1.9
103904985
3L1S
(31%)
+
Z92_B_5
QMean=0.359
P1
:
(3 Cplx.)
RUN2
pKi= 9.2
142
8.2
1.9
103904941
4ACG
(31%)
+
6LQ_B_4
QMean=0.301
P2
:
(3 Cplx.)
RUN2
pKi= 5.7
143
6.3
1.9
103904977
3M1S
(31%)
+
DW1_B_4
QMean=0.306
P2
:
(3 Cplx.)
RUN1
pKi= 6.1
144
7.9
1.9
103905317
3M1S
(31%)
+
DW1_B_4
QMean=0.306
P2
:
(4 Cplx.)
RUN0
pKi= 6
145
8.7
1.9
103904505
3NR9
(32%)
+
NR9_C_6
QMean=0.428
P2
:
(3 Cplx.)
RUN0
pKi= 7.8
146
6.0
1.9
103905029
3L1S
(31%)
+
Z92_B_5
QMean=0.359
P3
:
(3 Cplx.)
RUN2
pKi= 5.2
147
7.8
1.9
103904325
4ACC
(31%)
+
7YG_A_5
QMean=0.326
P1
:
(3 Cplx.)
RUN2
pKi= 6.2
148
8.0
1.9
103904190
2JLD
(31%)
+
AG1_B_5
QMean=0.328
P1
:
(7 Cplx.)
RUN2
pKi= 7.8
149
7.1
1.9
103905277
3NR9
(32%)
+
NR9_C_6
QMean=0.428
P2
:
(3 Cplx.)
RUN1
pKi= 6.9
150
4.7
1.9
103904577
1Z57
(32%)
+
DBQ_A_2
QMean=0.426
P1
:
(6 Cplx.)
RUN2
pKi= 4.5
151
6.2
1.9
103905295
1Z57
(32%)
+
DBQ_A_2
QMean=0.426
P1
:
(4 Cplx.)
RUN2
pKi= 5.7
152
4.9
1.9
103905677
4ACD
(31%)
+
GR9_B_4
QMean=0.320
P1
:
(5 Cplx.)
RUN1
pKi= 4.2
153
8.5
1.9
103905531
4ACD
(31%)
+
GR9_B_4
QMean=0.320
P2
:
(6 Cplx.)
RUN0
pKi= 8.3
154
8.8
1.9
103904485
2JLD
(31%)
+
AG1_B_5
QMean=0.328
P1
:
(5 Cplx.)
RUN1
pKi= 6.8
155
6.3
1.9
103905214
1PYX
(31%)
+
ANP_A_7
QMean=0.361
P1
:
(3 Cplx.)
RUN1
pKi= 5.6
156
6.6
1.9
103904825
3M1S
(31%)
+
DW1_B_4
QMean=0.306
P1
:
(3 Cplx.)
RUN1
pKi= 6.1
157
3.5
1.9
103905282
4ACD
(31%)
+
GR9_B_4
QMean=0.320
P1
:
(3 Cplx.)
RUN1
pKi= 5.5
158
4.4
1.9
103904676
3RAW
(31%)
+
3RA_B_4
QMean=0.411
P2
:
(4 Cplx.)
RUN2
pKi= 4.7
159
6.8
1.9
103904814
1Z57
(32%)
+
DBQ_A_2
QMean=0.426
P1
:
(4 Cplx.)
RUN0
pKi= 5.6
160
5.1
1.9
103905527
2JLD
(31%)
+
AG1_B_5
QMean=0.328
P3
:
(3 Cplx.)
RUN1
pKi= 4.5
161
7.5
1.9
103904204
2JLD
(31%)
+
AG1_B_5
QMean=0.328
P1
:
(4 Cplx.)
RUN1
pKi= 6.3
162
8.8
1.9
103904599
4ACC
(31%)
+
7YG_A_5
QMean=0.326
P1
:
(5 Cplx.)
RUN1
pKi= 6.8
163
6.9
2.0
103904984
3NR9
(32%)
+
NR9_C_6
QMean=0.428
P2
:
(5 Cplx.)
RUN2
pKi= 9.2
164
7.3
2.0
103904985
3RAW
(31%)
+
3RA_B_4
QMean=0.411
P1
:
(3 Cplx.)
RUN1
pKi= 9.2
165
7.2
2.0
103904984
3RAW
(31%)
+
3RA_B_4
QMean=0.411
P1
:
(3 Cplx.)
RUN1
pKi= 9.2
166
3.5
2.0
103905297
2JLD
(31%)
+
AG1_B_5
QMean=0.328
P3
:
(3 Cplx.)
RUN1
pKi= 5.4
167
5.3
2.0
103905134
2JLD
(31%)
+
AG1_B_5
QMean=0.328
P1
:
(9 Cplx.)
RUN1
pKi= 4.2
168
4.0
2.0
103905500
4ACD
(31%)
+
GR9_B_4
QMean=0.320
P1
:
(5 Cplx.)
RUN2
pKi= 4.8
169
3.4
2.0
103905282
4ACD
(31%)
+
GR9_B_4
QMean=0.320
P3
:
(3 Cplx.)
RUN2
pKi= 5.5
170
7.6
2.0
103905362
2JLD
(31%)
+
AG1_B_5
QMean=0.328
P1
:
(9 Cplx.)
RUN1
pKi= 6.5
171
9.0
2.0
103904960
2JLD
(31%)
+
AG1_B_5
QMean=0.328
P1
:
(7 Cplx.)
RUN0
pKi= 6.2
172
8.3
2.0
103904200
3M1S
(31%)
+
DW1_B_4
QMean=0.306
P2
:
(7 Cplx.)
RUN0
pKi= 7.8
173
6.3
2.0
103905274
3I4B
(31%)
+
Z48_B_4
QMean=0.345
P2
:
(4 Cplx.)
RUN1
pKi= 4.7
174
7.1
2.0
103905273
1Z57
(32%)
+
DBQ_A_2
QMean=0.426
P1
:
(5 Cplx.)
RUN1
pKi= 6.1
175
7.5
2.0
103905531
4ACD
(31%)
+
GR9_B_4
QMean=0.320
P1
:
(8 Cplx.)
RUN2
pKi= 8.3
176
4.1
2.0
103905528
4ACD
(31%)
+
GR9_B_4
QMean=0.320
P1
:
(5 Cplx.)
RUN1
pKi= 4.9
177
6.2
2.0
103905134
2JLD
(31%)
+
AG1_B_5
QMean=0.328
P1
:
(8 Cplx.)
RUN2
pKi= 4.2
178
4.8
2.0
103904442
2JLD
(31%)
+
AG1_B_5
QMean=0.328
P1
:
(5 Cplx.)
RUN1
pKi= 5.5
179
4.4
2.0
103905677
2JLD
(31%)
+
AG1_B_5
QMean=0.328
P2
:
(3 Cplx.)
RUN2
pKi= 4.2
180
8.4
2.0
103904485
4ACC
(31%)
+
7YG_A_5
QMean=0.326
P2
:
(4 Cplx.)
RUN0
pKi= 6.8
181
5.1
2.0
103905135
1Q4L
(31%)
+
679_A_3
QMean=0.293
P3
:
(3 Cplx.)
RUN2
pKi= 4.4
182
5.2
2.0
103904585
4ACG
(31%)
+
6LQ_B_4
QMean=0.301
P2
:
(3 Cplx.)
RUN2
pKi= 4
183
6.7
2.0
103904208
1Z57
(32%)
+
DBQ_A_2
QMean=0.426
P1
:
(5 Cplx.)
RUN2
pKi= 8.7
184
7.4
2.0
103904801
3L1S
(31%)
+
Z92_B_5
QMean=0.359
P1
:
(3 Cplx.)
RUN2
pKi= 6.1
185
6.9
2.0
103905573
1Z57
(32%)
+
DBQ_A_2
QMean=0.426
P1
:
(4 Cplx.)
RUN1
pKi= 6.9
186
4.5
2.0
103905639
3RAW
(31%)
+
3RA_B_4
QMean=0.411
P3
:
(3 Cplx.)
RUN1
pKi= 7.8
187
5.9
2.0
103905089
4ACG
(31%)
+
6LQ_B_4
QMean=0.301
P1
:
(5 Cplx.)
RUN1
pKi= 6.6
188
6.6
2.0
103905004
4ACG
(31%)
+
6LQ_B_4
QMean=0.301
P2
:
(3 Cplx.)
RUN2
pKi= 5.8
189
8.3
2.0
103905159
4ACG
(31%)
+
6LQ_B_4
QMean=0.301
P1
:
(4 Cplx.)
RUN2
pKi= 6.6
190
4.3
2.0
103905447
4ACC
(31%)
+
7YG_A_5
QMean=0.326
P2
:
(3 Cplx.)
RUN1
pKi= 4.3
191
9.2
2.0
103904507
2JLD
(31%)
+
AG1_B_5
QMean=0.328
P1
:
(3 Cplx.)
RUN2
pKi= 8.3
192
10.0
2.0
103905679
2JLD
(31%)
+
AG1_B_5
QMean=0.328
P1
:
(7 Cplx.)
RUN0
pKi= 6.5
193
6.8
2.0
103905368
4ACC
(31%)
+
7YG_A_5
QMean=0.326
P2
:
(3 Cplx.)
RUN0
pKi= 6.8
194
6.9
2.0
103905604
2O5K
(31%)
+
HBM_A_2
QMean=0.291
P1
:
(5 Cplx.)
RUN1
pKi= 6.4
195
7.2
2.0
103905573
1Z57
(32%)
+
DBQ_A_2
QMean=0.426
P2
:
(4 Cplx.)
RUN2
pKi= 6.9
196
8.5
2.0
103905159
4ACG
(31%)
+
6LQ_B_4
QMean=0.301
P1
:
(6 Cplx.)
RUN0
pKi= 6.6
197
7.6
2.0
103904590
4ACC
(31%)
+
7YG_A_5
QMean=0.326
P1
:
(4 Cplx.)
RUN1
pKi= 6.4
198
6.6
2.0
103904806
4ACC
(31%)
+
7YG_A_5
QMean=0.326
P1
:
(6 Cplx.)
RUN1
pKi= 6.1
199
6.8
2.0
103904402
3I4B
(31%)
+
Z48_B_4
QMean=0.345
P1
:
(4 Cplx.)
RUN2
pKi= 6.1
200
8.1
2.0
103904271
4ACG
(31%)
+
6LQ_B_4
QMean=0.301
P1
:
(3 Cplx.)
RUN1
pKi= 6.2
201
4.8
2.0
103904707
4ACD
(31%)
+
GR9_B_4
QMean=0.320
P3
:
(3 Cplx.)
RUN2
pKi= 4.2
202
4.6
2.1
103905519
2JLD
(31%)
+
AG1_B_5
QMean=0.328
P2
:
(4 Cplx.)
RUN2
pKi= 4.6
203
8.5
2.1
103904826
1PYX
(31%)
+
ANP_A_7
QMean=0.361
P1
:
(3 Cplx.)
RUN2
pKi= 6.2
204
4.7
2.1
103904709
4ACC
(31%)
+
7YG_A_5
QMean=0.326
P2
:
(3 Cplx.)
RUN2
pKi= 4.2
205
5.4
2.1
103905452
4ACD
(31%)
+
GR9_B_4
QMean=0.320
P2
:
(5 Cplx.)
RUN1
pKi= 4.7
206
4.3
2.1
103904264
2JLD
(31%)
+
AG1_B_5
QMean=0.328
P1
:
(4 Cplx.)
RUN1
pKi= 4.2
207
5.9
2.1
103905613
4ACD
(31%)
+
GR9_B_4
QMean=0.320
P2
:
(3 Cplx.)
RUN2
pKi= 7.3
208
8.0
2.1
103904636
4ACC
(31%)
+
7YG_A_5
QMean=0.326
P3
:
(3 Cplx.)
RUN1
pKi= 6.3
209
5.3
2.1
103905452
4ACD
(31%)
+
GR9_B_4
QMean=0.320
P2
:
(3 Cplx.)
RUN2
pKi= 4.7
210
7.8
2.1
103904325
3L1S
(31%)
+
Z92_B_5
QMean=0.359
P1
:
(6 Cplx.)
RUN1
pKi= 6.2
211
8.2
2.1
103904941
4ACG
(31%)
+
6LQ_B_4
QMean=0.301
P2
:
(3 Cplx.)
RUN0
pKi= 5.7
212
3.8
2.1
103904442
4ACD
(31%)
+
GR9_B_4
QMean=0.320
P1
:
(3 Cplx.)
RUN2
pKi= 5.5
213
5.8
2.1
103905456
3M1S
(31%)
+
DW1_B_4
QMean=0.306
P2
:
(6 Cplx.)
RUN1
pKi= 4.3
214
6.0
2.1
103904879
4ACG
(31%)
+
6LQ_B_4
QMean=0.301
P2
:
(3 Cplx.)
RUN1
pKi= 6.1
215
7.3
2.1
103904575
4ACG
(31%)
+
6LQ_B_4
QMean=0.301
P1
:
(8 Cplx.)
RUN0
pKi= 6.5
216
6.6
2.1
103904806
4ACG
(31%)
+
6LQ_B_4
QMean=0.301
P1
:
(5 Cplx.)
RUN2
pKi= 6.1
217
6.5
2.1
103905275
1Z57
(32%)
+
DBQ_A_2
QMean=0.426
P2
:
(3 Cplx.)
RUN0
pKi= 6.1
218
5.4
2.1
103905008
3PUP
(31%)
+
OS1_B_4
QMean=0.339
P2
:
(3 Cplx.)
RUN1
pKi= 5
219
7.7
2.1
103904404
4FG7
(31%)
+
ATP_A_2
QMean=0.453
P1
:
(4 Cplx.)
RUN2
pKi= 7
220
7.5
2.1
103905553
4ACC
(31%)
+
7YG_A_5
QMean=0.326
P2
:
(3 Cplx.)
RUN2
pKi= 5.7
221
5.8
2.1
103904820
3L1S
(31%)
+
Z92_B_5
QMean=0.359
P1
:
(6 Cplx.)
RUN0
pKi= 6.4
222
5.3
2.1
103905521
4ACG
(31%)
+
6LQ_B_4
QMean=0.301
P3
:
(3 Cplx.)
RUN1
pKi= 6.2
223
7.0
2.1
103905089
1Z57
(32%)
+
DBQ_A_2
QMean=0.426
P3
:
(3 Cplx.)
RUN0
pKi= 6.6
224
4.1
2.1
103905528
4ACD
(31%)
+
GR9_B_4
QMean=0.320
P2
:
(4 Cplx.)
RUN2
pKi= 4.9
225
9.9
2.1
103905679
2JLD
(31%)
+
AG1_B_5
QMean=0.328
P1
:
(6 Cplx.)
RUN2
pKi= 6.5
226
8.8
2.1
103904507
4ACD
(31%)
+
GR9_B_4
QMean=0.320
P1
:
(3 Cplx.)
RUN0
pKi= 8.3
227
5.9
2.1
103904441
4ACC
(31%)
+
7YG_A_5
QMean=0.326
P1
:
(6 Cplx.)
RUN2
pKi= 7.7
228
4.3
2.2
103905040
3I4B
(31%)
+
Z48_B_4
QMean=0.345
P1
:
(5 Cplx.)
RUN1
pKi= 5.9
229
8.4
2.2
103904200
3M1S
(31%)
+
DW1_B_4
QMean=0.306
P1
:
(8 Cplx.)
RUN2
pKi= 7.8
230
8.0
2.2
103904462
3L1S
(31%)
+
Z92_B_5
QMean=0.359
P1
:
(3 Cplx.)
RUN1
pKi= 9
231
7.4
2.2
103905531
3I4B
(31%)
+
Z48_B_4
QMean=0.345
P1
:
(6 Cplx.)
RUN1
pKi= 8.3
232
7.5
2.2
103904645
4ACC
(31%)
+
7YG_A_5
QMean=0.326
P1
:
(3 Cplx.)
RUN1
pKi= 6.2
233
4.1
2.2
103905203
3I4B
(31%)
+
Z48_B_4
QMean=0.345
P2
:
(3 Cplx.)
RUN2
pKi= 4.7
234
5.3
2.2
103904936
3NR9
(32%)
+
NR9_C_6
QMean=0.428
P3
:
(3 Cplx.)
RUN2
pKi= 5.8
235
6.9
2.2
103904870
2JLD
(31%)
+
AG1_B_5
QMean=0.328
P2
:
(4 Cplx.)
RUN2
pKi= 5.6
236
4.5
2.2
103905468
4ACD
(31%)
+
GR9_B_4
QMean=0.320
P2
:
(3 Cplx.)
RUN2
pKi= 4.1
237
3.4
2.2
103905412
2JLD
(31%)
+
AG1_B_5
QMean=0.328
P1
:
(4 Cplx.)
RUN1
pKi= 4.4
238
7.7
2.2
103905159
4FG7
(31%)
+
ATP_A_2
QMean=0.453
P1
:
(3 Cplx.)
RUN1
pKi= 6.6
239
7.7
2.2
103904193
4ACC
(31%)
+
7YG_A_5
QMean=0.326
P2
:
(3 Cplx.)
RUN2
pKi= 8.6
240
9.2
2.2
103904637
2JLD
(31%)
+
AG1_B_5
QMean=0.328
P1
:
(6 Cplx.)
RUN1
pKi= 5.9
241
4.7
2.2
103905654
4ACG
(31%)
+
6LQ_B_4
QMean=0.301
P2
:
(3 Cplx.)
RUN2
pKi= 4.1
242
6.2
2.2
103905614
3M1S
(31%)
+
DW1_B_4
QMean=0.306
P1
:
(5 Cplx.)
RUN2
pKi= 6.8
243
4.2
2.2
103904679
3I4B
(31%)
+
Z48_B_4
QMean=0.345
P1
:
(4 Cplx.)
RUN2
pKi= 4.3
244
7.7
2.2
103904591
2JLD
(31%)
+
AG1_B_5
QMean=0.328
P1
:
(6 Cplx.)
RUN2
pKi= 6.5
245
7.1
2.2
103904821
4ACC
(31%)
+
7YG_A_5
QMean=0.326
P1
:
(6 Cplx.)
RUN1
pKi= 5.7
246
4.2
2.2
103904679
3I4B
(31%)
+
Z48_B_4
QMean=0.345
P1
:
(5 Cplx.)
RUN1
pKi= 4.3
247
4.3
2.2
103905135
1Q4L
(31%)
+
679_A_3
QMean=0.293
P3
:
(3 Cplx.)
RUN1
pKi= 4.4
248
7.8
2.2
103904862
3M1S
(31%)
+
DW1_B_4
QMean=0.306
P1
:
(11 Cplx.)
RUN1
pKi= 5.9
249
7.0
2.2
103904199
4ACD
(31%)
+
GR9_B_4
QMean=0.320
P2
:
(3 Cplx.)
RUN1
pKi= 7.6
250
8.2
2.2
103905362
2JLD
(31%)
+
AG1_B_5
QMean=0.328
P1
:
(11 Cplx.)
RUN0
pKi= 6.5
251
9.6
2.2
103905027
4ACG
(31%)
+
6LQ_B_4
QMean=0.301
P1
:
(4 Cplx.)
RUN2
pKi= 5.6
252
5.4
2.2
103905677
2O5K
(31%)
+
HBM_A_2
QMean=0.291
P1
:
(5 Cplx.)
RUN0
pKi= 4.2
253
9.2
2.2
103904960
2O5K
(31%)
+
HBM_A_2
QMean=0.291
P2
:
(5 Cplx.)
RUN1
pKi= 6.2
254
6.3
2.2
103905558
2O5K
(31%)
+
HBM_A_2
QMean=0.291
P1
:
(3 Cplx.)
RUN0
pKi= 6.6
255
8.3
2.2
103905277
3M1S
(31%)
+
DW1_B_4
QMean=0.306
P1
:
(8 Cplx.)
RUN0
pKi= 6.9
256
6.7
2.2
103905503
3M1S
(31%)
+
DW1_B_4
QMean=0.306
P1
:
(10 Cplx.)
RUN1
pKi= 6
257
7.5
2.2
103905602
2JLD
(31%)
+
AG1_B_5
QMean=0.328
P1
:
(11 Cplx.)
RUN0
pKi= 6.1
258
7.7
2.2
103905660
2JLD
(31%)
+
AG1_B_5
QMean=0.328
P1
:
(3 Cplx.)
RUN2
pKi= 7
259
4.9
2.2
103905600
3I4B
(31%)
+
Z48_B_4
QMean=0.345
P3
:
(3 Cplx.)
RUN1
pKi= 6.2
260
4.5
2.2
103905306
4ACD
(31%)
+
GR9_B_4
QMean=0.320
P1
:
(5 Cplx.)
RUN2
pKi= 5.5
261
7.1
2.2
103904869
2JLD
(31%)
+
AG1_B_5
QMean=0.328
P3
:
(3 Cplx.)
RUN0
pKi= 5.8
262
6.4
2.3
103904735
4ACD
(31%)
+
GR9_B_4
QMean=0.320
P2
:
(5 Cplx.)
RUN2
pKi= 7.9
263
5.4
2.3
103905589
4ACD
(31%)
+
GR9_B_4
QMean=0.320
P2
:
(3 Cplx.)
RUN2
pKi= 4.1
264
3.5
2.3
103905297
2JLD
(31%)
+
AG1_B_5
QMean=0.328
P1
:
(5 Cplx.)
RUN2
pKi= 5.4
265
7.8
2.3
103904197
3M1S
(31%)
+
DW1_B_4
QMean=0.306
P1
:
(9 Cplx.)
RUN1
pKi= 8.1
266
5.7
2.3
103904935
3NR9
(32%)
+
NR9_C_6
QMean=0.428
P3
:
(3 Cplx.)
RUN0
pKi= 5.9
267
5.0
2.3
103905439
1PYX
(31%)
+
ANP_A_7
QMean=0.361
P1
:
(7 Cplx.)
RUN2
pKi= 4.1
268
6.9
2.3
103905226
1Z57
(32%)
+
DBQ_A_2
QMean=0.426
P2
:
(3 Cplx.)
RUN2
pKi= 6.1
269
6.2
2.3
103905602
3NR9
(32%)
+
NR9_C_6
QMean=0.428
P1
:
(4 Cplx.)
RUN2
pKi= 6.1
270
7.6
2.3
103904818
2JLD
(31%)
+
AG1_B_5
QMean=0.328
P1
:
(3 Cplx.)
RUN2
pKi= 7.6
271
6.1
2.3
103904943
4ACC
(31%)
+
7YG_A_5
QMean=0.326
P2
:
(4 Cplx.)
RUN1
pKi= 4.8
272
6.7
2.3
103905660
3I4B
(31%)
+
Z48_B_4
QMean=0.345
P1
:
(3 Cplx.)
RUN1
pKi= 7
273
8.4
2.3
103905214
3I4B
(31%)
+
Z48_B_4
QMean=0.345
P1
:
(3 Cplx.)
RUN0
pKi= 5.6
274
6.1
2.3
103904584
3L1S
(31%)
+
Z92_B_5
QMean=0.359
P2
:
(4 Cplx.)
RUN1
pKi= 4.7
275
5.1
2.3
103905439
1PYX
(31%)
+
ANP_A_7
QMean=0.361
P1
:
(6 Cplx.)
RUN0
pKi= 4.1
276
9.2
2.3
103905615
2JLD
(31%)
+
AG1_B_5
QMean=0.328
P1
:
(9 Cplx.)
RUN1
pKi= 5.6
277
8.3
2.3
103904637
3L1S
(31%)
+
Z92_B_5
QMean=0.359
P2
:
(3 Cplx.)
RUN2
pKi= 5.9
278
7.2
2.3
103904599
4ACD
(31%)
+
GR9_B_4
QMean=0.320
P1
:
(3 Cplx.)
RUN2
pKi= 6.8
279
5.6
2.3
103905521
4ACG
(31%)
+
6LQ_B_4
QMean=0.301
P1
:
(4 Cplx.)
RUN2
pKi= 6.2
280
7.1
2.3
103905664
1Z57
(32%)
+
DBQ_A_2
QMean=0.426
P4
:
(3 Cplx.)
RUN0
pKi= 6
281
7.4
2.3
103904554
3M1S
(31%)
+
DW1_B_4
QMean=0.306
P1
:
(4 Cplx.)
RUN0
pKi= 5.8
282
5.0
2.3
103905579
4ACD
(31%)
+
GR9_B_4
QMean=0.320
P2
:
(3 Cplx.)
RUN2
pKi= 5.5
283
7.2
2.3
103905214
4ACG
(31%)
+
6LQ_B_4
QMean=0.301
P2
:
(3 Cplx.)
RUN2
pKi= 5.6
284
6.8
2.3
103905658
3M1S
(31%)
+
DW1_B_4
QMean=0.306
P1
:
(4 Cplx.)
RUN1
pKi= 6.6
285
7.7
2.3
103904507
3L1S
(31%)
+
Z92_B_5
QMean=0.359
P1
:
(4 Cplx.)
RUN1
pKi= 8.3
286
7.6
2.3
103904590
2JLD
(31%)
+
AG1_B_5
QMean=0.328
P2
:
(3 Cplx.)
RUN0
pKi= 6.4
287
5.6
2.3
103905655
1Z57
(32%)
+
DBQ_A_2
QMean=0.426
P2
:
(3 Cplx.)
RUN2
pKi= 5.6
288
7.2
2.3
103904807
2JLD
(31%)
+
AG1_B_5
QMean=0.328
P1
:
(5 Cplx.)
RUN1
pKi= 5.6
289
6.6
2.4
103904869
4BGQ
(35%)
+
38R_A_3
QMean=0.401
P1
:
(4 Cplx.)
RUN2
pKi= 5.8
290
7.2
2.4
103904821
2JLD
(31%)
+
AG1_B_5
QMean=0.328
P1
:
(6 Cplx.)
RUN0
pKi= 5.7
291
6.1
2.4
103904986
2O5K
(31%)
+
HBM_A_2
QMean=0.291
P2
:
(5 Cplx.)
RUN2
pKi= 6.4
292
7.0
2.4
103905111
4ACG
(31%)
+
6LQ_B_4
QMean=0.301
P1
:
(8 Cplx.)
RUN1
pKi= 6.4
293
6.7
2.4
103904207
4BGQ
(35%)
+
38R_A_3
QMean=0.401
P2
:
(4 Cplx.)
RUN0
pKi= 6.4
294
6.7
2.4
103904601
3I4B
(31%)
+
Z48_B_4
QMean=0.345
P1
:
(3 Cplx.)
RUN2
pKi= 6.1
295
5.4
2.4
103904935
3I4B
(31%)
+
Z48_B_4
QMean=0.345
P2
:
(3 Cplx.)
RUN2
pKi= 5.9
296
6.0
2.4
103904704
2JLD
(31%)
+
AG1_B_5
QMean=0.328
P1
:
(11 Cplx.)
RUN2
pKi= 6.1
297
5.8
2.4
103905329
4ACC
(31%)
+
7YG_A_5
QMean=0.326
P2
:
(4 Cplx.)
RUN1
pKi= 4.1
298
7.3
2.4
103904879
4ACC
(31%)
+
7YG_A_5
QMean=0.326
P1
:
(7 Cplx.)
RUN2
pKi= 6.1
299
9.0
2.4
103905213
3L1S
(31%)
+
Z92_B_5
QMean=0.359
P1
:
(12 Cplx.)
RUN0
pKi= 5.7
300
7.2
2.4
103905004
2JLD
(31%)
+
AG1_B_5
QMean=0.328
P2
:
(5 Cplx.)
RUN1
pKi= 5.8
301
5.1
2.4
103905439
4ACC
(31%)
+
7YG_A_5
QMean=0.326
P2
:
(3 Cplx.)
RUN1
pKi= 4.1
302
4.9
2.4
103905600
3NR9
(32%)
+
NR9_C_6
QMean=0.428
P2
:
(5 Cplx.)
RUN0
pKi= 6.2
303
7.3
2.4
103904862
1PYX
(31%)
+
ANP_A_7
QMean=0.361
P1
:
(8 Cplx.)
RUN2
pKi= 5.9
304
5.9
2.4
103904506
4ACD
(31%)
+
GR9_B_4
QMean=0.320
P2
:
(5 Cplx.)
RUN2
pKi= 7
305
6.8
2.4
103905122
2JLD
(31%)
+
AG1_B_5
QMean=0.328
P1
:
(10 Cplx.)
RUN0
pKi= 4.9
306
4.7
2.4
103905040
1Z57
(32%)
+
DBQ_A_2
QMean=0.426
P2
:
(5 Cplx.)
RUN0
pKi= 5.9
307
6.3
2.4
103905226
1Z57
(32%)
+
DBQ_A_2
QMean=0.426
P2
:
(3 Cplx.)
RUN1
pKi= 6.1
308
5.3
2.4
103904854
1Z57
(32%)
+
DBQ_A_2
QMean=0.426
P2
:
(5 Cplx.)
RUN2
pKi= 4.7
309
7.7
2.4
103905183
4ACD
(31%)
+
GR9_B_4
QMean=0.320
P2
:
(3 Cplx.)
RUN0
pKi= 6
310
7.9
2.4
103905027
2JLD
(31%)
+
AG1_B_5
QMean=0.328
P2
:
(3 Cplx.)
RUN1
pKi= 5.6
311
7.9
2.4
103905213
4ACG
(31%)
+
6LQ_B_4
QMean=0.301
P1
:
(3 Cplx.)
RUN1
pKi= 5.7
312
7.3
2.4
103905655
2JLD
(31%)
+
AG1_B_5
QMean=0.328
P1
:
(12 Cplx.)
RUN0
pKi= 5.6
313
5.2
2.4
103905401
4ACG
(31%)
+
6LQ_B_4
QMean=0.301
P2
:
(3 Cplx.)
RUN1
pKi= 4.4
314
8.0
2.4
103904824
2JLD
(31%)
+
AG1_B_5
QMean=0.328
P2
:
(3 Cplx.)
RUN2
pKi= 6.4
315
6.8
2.4
103905558
3M1S
(31%)
+
DW1_B_4
QMean=0.306
P1
:
(4 Cplx.)
RUN2
pKi= 6.6
316
8.3
2.4
103905660
4ACD
(31%)
+
GR9_B_4
QMean=0.320
P1
:
(3 Cplx.)
RUN0
pKi= 7
317
6.0
2.5
103905614
1Z57
(32%)
+
DBQ_A_2
QMean=0.426
P2
:
(4 Cplx.)
RUN0
pKi= 6.8
318
7.3
2.5
103905557
4ACC
(31%)
+
7YG_A_5
QMean=0.326
P1
:
(6 Cplx.)
RUN2
pKi= 6
319
5.2
2.5
103904936
3M1S
(31%)
+
DW1_B_4
QMean=0.306
P1
:
(3 Cplx.)
RUN1
pKi= 5.8
320
7.0
2.5
103905668
4ACG
(31%)
+
6LQ_B_4
QMean=0.301
P1
:
(7 Cplx.)
RUN1
pKi= 7.1
321
8.6
2.5
103904637
3L1S
(31%)
+
Z92_B_5
QMean=0.359
P1
:
(6 Cplx.)
RUN0
pKi= 5.9
322
6.0
2.5
103905658
3L1S
(31%)
+
Z92_B_5
QMean=0.359
P1
:
(3 Cplx.)
RUN2
pKi= 6.6
323
7.5
2.5
103905557
3NR9
(32%)
+
NR9_C_6
QMean=0.428
P3
:
(3 Cplx.)
RUN1
pKi= 6
324
5.6
2.5
103904707
1Z57
(32%)
+
DBQ_A_2
QMean=0.426
P1
:
(8 Cplx.)
RUN0
pKi= 4.2
325
5.9
2.5
103904506
4ACD
(31%)
+
GR9_B_4
QMean=0.320
P2
:
(3 Cplx.)
RUN0
pKi= 7
326
9.9
2.5
103905679
2JLD
(31%)
+
AG1_B_5
QMean=0.328
P1
:
(5 Cplx.)
RUN1
pKi= 6.5
327
4.0
2.5
103905201
3RAW
(31%)
+
3RA_B_4
QMean=0.411
P4
:
(3 Cplx.)
RUN1
pKi= 4.2
328
4.2
2.5
103905040
3I4B
(31%)
+
Z48_B_4
QMean=0.345
P1
:
(4 Cplx.)
RUN2
pKi= 5.9
329
8.9
2.5
103904486
2JLD
(31%)
+
AG1_B_5
QMean=0.328
P1
:
(6 Cplx.)
RUN0
pKi= 8.7
330
8.3
2.5
103904402
4ACC
(31%)
+
7YG_A_5
QMean=0.326
P1
:
(4 Cplx.)
RUN1
pKi= 6.1
331
7.4
2.5
103905111
4ACG
(31%)
+
6LQ_B_4
QMean=0.301
P1
:
(11 Cplx.)
RUN0
pKi= 6.4
332
7.4
2.5
103905558
3M1S
(31%)
+
DW1_B_4
QMean=0.306
P2
:
(3 Cplx.)
RUN1
pKi= 6.6
333
8.0
2.5
103905604
4ACC
(31%)
+
7YG_A_5
QMean=0.326
P1
:
(10 Cplx.)
RUN2
pKi= 6.4
334
5.3
2.5
103905329
4ACD
(31%)
+
GR9_B_4
QMean=0.320
P1
:
(7 Cplx.)
RUN2
pKi= 4.1
335
4.7
2.5
103905589
4ACD
(31%)
+
GR9_B_4
QMean=0.320
P2
:
(3 Cplx.)
RUN1
pKi= 4.1
336
4.5
2.5
103904577
3RAW
(31%)
+
3RA_B_4
QMean=0.411
P2
:
(3 Cplx.)
RUN0
pKi= 4.5
337
4.4
2.5
103905519
1Z57
(32%)
+
DBQ_A_2
QMean=0.426
P1
:
(6 Cplx.)
RUN1
pKi= 4.6
338
7.6
2.5
103905607
4ACG
(31%)
+
6LQ_B_4
QMean=0.301
P1
:
(10 Cplx.)
RUN0
pKi= 7.5
Correlation coefficient (Pearson) between mesured and calculated pKd: R=0.55
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