Atome 2 : Comparative Modeling, Annotation & Complexes Prediction of Study :
UP000000751 (Staphylococcus - Mars 2016)

Download : Data.csv | 3D Models


Tab legend :
    Full name of ligand selected in the comparative docking column:

    General color information : Quality: [ Good | Correct | Uncertain ]
QueryStructural Alignment (SA)3D Modeling AnnotationLigands from PDB templatesPredicted Complexes - pKd:[ ‹nMol | ‹μMol | ‹mMol ]




Query Sequence
Filter:
Significants
SA found
Seq Ident. 3D Core
(QMean Score)
Classification code

Binding Site Ligands Found
(Procognate)
Profile Complexes by comparative docking
(ligands from PDB templates)

Targets
for screening


Sort by entries

[Nb of SA]
[Best Ident]
[Best Score]
Main Code
[Name]
[Number]
[Number]
Distribution of CDocking pKd
[Number]
1SA000119 37% 0.557 PF08299 C2_S118 - (0)2 - / 8 / - 1
2SA000220 52% 0.526 PF02768 C2_S120 - (0)3 - / - / 3 0
3SA00037 40% 0.270 PF00885 10 - (10)? - / - / - 0
4SA00047 42% 0.459 PF04423 17 - (0)? - / - / - 0
5SA000567 99% 0.532 PF01751 C2_S165 - (0)20 6 / 30 / 18 22
6SA000642 99% 0.545 PF00521 C7_S180 - (0)9 - / 1 / 28 0
7SA000726 45% 0.671 PF03853 C2_S161 - (46)7 - / 8 / - 4
8SA000821 39% 0.548 PF00221 7 - (0)0 - / - / - 0
9SA000934 52% 0.404 PF00587 C4_S126 - (26)9 - / 12 / 10 5
10SA00100 32% 0.280 PF01027 0 - (0)? - / - / - 0
11SA0010_10 37% -0.119 PF01470 1 - (0)? - / - / - 0
12SA001119 99% 0.489 PF00561 29 - (19)? - / - / - 0
13SA00122 15% 0.099 PF05835 2 - (0)? - / - / - 0
14SA001312 36% 0.291 PF02833 3 - (0)? - / - / - 0
15SA001415 72% 0.684 PF01281 0 - (0)? - / - / - 0
16SA001522 59% 0.532 PF08423 C2_S18 - (0)2 - / - / 3 2
17SA001642 70% 0.607 PF00709 C3_S172 - (55)18 - / 27 / 14 7
18SA001711 79% 0.606 PF00486 8 - (0)? - / - / - 0
19SA001813 53% 0.614 PF02518 C5_S156 - (45)8 3 / 11 / - 4
20SA00190 33% -0.022 PF00067 5 - (0)? - / - / - 0
21SA00204 22% 0.449 PF09648 1 - (0)? - / - / - 0
22SA002117 35% 0.438 PF07521 11 - (0)? - / - / - 0
23SA002220 32% 0.444 PF00149 C2_S122 - (9)8 - / 4 / 3 4
24SA002315 100% 0.715 PF02590 C2_S112 - (0)? - / 1 / - 0
25SA00242 29% 0.523 PF00018 18 - (2)? - / - / - 0
26SA00250 36% 0.430 PF00753 1 - (0)? - / - / - 0
27SA0028_10 62% 0.425 PF00046 0 - (0)? - / - / - 0
28SA00297 47% 0.566 PF01076 C4_S126 - (0)2 6 / - / 1 0
29SA00300 37% 0.468 PF13580 1 - (0)? - / - / - 0
30SA00310 42% 0.310 PF00067 3 - (0)? - / - / - 0
31SA00328 41% 0.392 PF12681 32 - (0)? - / - / - 0
32SA003315 99% 0.712 PF07827 C5_S124 - (14)2 - / - / 2 1
33SA00347 38% 0.380 PF02171 11 - (0)? - / - / - 0
34SA003517 50% 0.384 PF01154 9 - (5)2 - / - / - 0
35SA003618 44% 0.530 PF03009 C1_S128 - (22)6 - / - / 3 1
36SA003718 34% 0.545 PF01575 2 - (0)? - / - / - 0
37SA003820 100% 0.516 PF00905 C2_S118 - (0)5 - / 2 / 3 5
38SA003924 100% 0.463 PF00905 C5_S137 - (0)15 - / - / 17 6
39SA004016 100% 0.556 PF03965 C3_S116 - (0)2 - / - / 4 0
40SA004114 100% 0.579 PF00480 31 - (25)? - / - / - 0
41SA004212 38% 0.489 PF00581 15 - (0)1 - / - / - 0
42SA004315 74% 0.455 PF00753 C1_S116 - (4)1 - / - / 1 0
43SA00448 41% 0.350 PF01206 3 - (0)? - / - / - 0
44SA00453 40% 0.468 PF13639 2 - (2)? - / - / - 0
45SA00460 31% 0.133 PF02827 5 - (0)? - / - / - 0
46SA004710 35% 0.425 PF08241 53 - (29)? - / - / - 0
47SA00540 22% 0.280 PF03167 2 - (0)? - / - / - 0
48SA00550 34% 0.300 PF07737 0 - (0)? - / - / - 0
49SA00564 49% 0.535 PF01568 0 - (0)? - / - / - 0
50SA005712 41% 0.501 PF00239 13 - (0)? - / - / - 0

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