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]
1SA1730106 100% 0.680 PF02898 C9_S1414 - (28)20 104 / - / 14 11
2SA065899 51% 0.652 PF00248 C7_S1156 - (120)16 66 / 10 / 3 4
3SA125970 100% 0.632 PF00186 C6_S1163 - (83)20 65 / 7 / 9 10
4SA202799 70% 0.544 PF05191 C3_S1144 - (131)15 64 / 29 / 5 7
5SA1513101 57% 0.542 PF00476 C4_S1289 - (207)14 52 / 23 / 11 3
6SA237540 37% 0.553 PF01180 C2_S1145 - (86)9 40 / 2 / 4 4
7SA094647 73% 0.579 PF02852 C1_S173 - (67)2 38 / - / - 1
8SA160668 56% 0.498 PF00248 C7_S1156 - (118)13 36 / 7 / 4 3
9SA199980 39% 0.517 PF02146 C5_S1165 - (0)20 32 / 30 / 17 12
10SA134941 38% 0.515 PF02852 C2_S161 - (55)5 29 / 1 / 1 2
11SA198943 45% 0.595 PF00107 C1_S180 - (46)15 21 / 2 / 6 2
12SA044058 100% 0.734 PF01712 C2_S185 - (43)20 18 / 12 / 20 21
13SA200144 55% 0.533 PF00248 C6_S1105 - (64)15 18 / 2 / 6 4
14SA188570 44% 0.636 PF00271 C4_S189 - (0)16 17 / 16 / 24 5
15SA241339 42% 0.491 PF00175 C2_S1145 - (131)7 17 / 14 / - 3
16SA023135 51% 0.528 PF00175 C1_S1121 - (36)8 16 / 3 / 9 1
17SA014820 100% 0.484 PF02719 C1_S161 - (58)7 16 / 1 / 2 2
18SA098318 99% 0.457 PF03992 C5_S135 - (0)4 16 / - / - 2
19SA016018 100% 0.545 PF03992 C5_S136 - (0)4 16 / - / - 2
20SA097722 100% 0.574 PF05031 C12_S161 - (0)7 15 / 1 / 3 3
21SA051120 51% 0.446 PF01370 C1_S174 - (58)4 15 / 1 / - 1
22SA086932 100% 0.614 PF00106 C3_S148 - (30)6 15 / 1 / - 4
23SA083127 99% 0.484 PF02852 C1_S199 - (94)9 14 / 3 / 6 4
24SA117026 64% 0.464 PF06628 C7_S123 - (4)4 14 / - / 2 1
25SA064630 36% 0.501 PF03441 C3_S150 - (39)5 13 / 2 / - 1
26SA168525 45% 0.477 PF14815 C2_S148 - (0)9 13 / - / 6 2
27SA012323 38% 0.506 PF01370 C1_S1102 - (84)5 13 / - / 2 1
28SA139021 71% 0.624 PF04545 C5_S127 - (0)2 13 / - / - 0
29SA140989 81% 0.620 PF00012 C2_S1102 - (0)20 12 / 50 / 12 9
30SA050641 75% 0.592 PF03143 C3_S140 - (0)5 12 / 22 / 3 2
31SA122635 43% 0.510 PF02774 C2_S169 - (38)20 12 / 11 / 15 9
32SA107438 100% 0.661 PF00106 C1_S163 - (41)12 12 / 5 / 8 2
33SA153126 61% 0.591 PF05222 C3_S178 - (67)9 11 / - / 6 2
34SA154530 45% 0.585 PF02826 C2_S164 - (50)11 10 / 3 / 4 2
35SA068512 48% 0.491 PF00258 C4_S144 - (40)2 10 / - / - 1
36SA023237 99% 0.673 PF00056 C5_S136 - (26)4 9 / 13 / 1 2
37SA128929 100% 0.558 PF03099 C2_S135 - (11)13 9 / 7 / 4 7
38SA160921 54% 0.634 PF01293 C3_S139 - (35)6 9 / 4 / - 2
39SA111430 40% 0.488 PF01509 C4_S140 - (0)3 9 / 3 / 8 0
40SA185920 43% 0.549 PF02776 C2_S172 - (28)11 9 / 1 / 8 3
41SA2391107 99% 0.599 PF02569 C8_S1331 - (259)20 8 / 44 / 33 9
42SA118859 99% 0.502 PF01751 C2_S165 - (0)20 8 / 29 / 14 18
43SA129837 91% 0.617 PF01202 C3_S159 - (54)6 8 / 10 / 12 2
44SA172122 72% 0.447 PF13361 C4_S133 - (0)2 8 / 5 / 3 1
45SA113816 46% 0.505 PF08676 C1_S123 - (0)4 8 / - / 2 3
46SA151045 64% 0.584 PF00044 C1_S155 - (25)6 7 / 15 / 7 2
47SA192128 63% 0.507 PF00265 C8_S140 - (39)9 7 / 14 / 3 5
48SA226624 38% 0.577 PF00106 C1_S185 - (59)8 7 / 2 / 4 2
49SA017129 47% 0.604 PF02826 C2_S158 - (51)7 7 / 2 / 2 2
50SA069320 100% 0.796 PF02873 C1_S160 - (44)2 7 / - / 1 1

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