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]
50SA130535 100% 0.652 PF00216 C9_S159 - (0)2 4 / 2 / 12 0
51SA072957 100% 0.647 PF00121 C8_S159 - (46)19 - / - / 38 7
52SA168353 100% 0.405 PF00005 C1_S164 - (58)11 - / 29 / 7 6
53SA161521 100% 0.564 PF13193 C6_S152 - (20)3 - / - / 3 2
54SA1841_11 100% 0.400 PF00089 2 - (0)? - / - / - 0
55SA239313 100% 0.622 PF08546 C2_S138 - (23)4 5 / - / - 2
56SA01440 100% 0.377 PF00575 4 - (0)? - / - / - 0
57SA042222 100% 0.569 PF09084 C2_S112 - (0)1 - / - / 11 0
58SA014820 100% 0.484 PF02719 C1_S161 - (58)7 16 / 1 / 2 2
59SA165316 100% 0.589 PF03992 10 - (0)? - / - / - 0
60SA057311 100% 0.651 PF01047 7 - (0)? - / - / - 0
61SA075915 100% 0.635 PF03960 C2_S116 - (0)1 - / - / 1 0
62SAP01217 100% 0.561 PF03965 C3_S114 - (0)2 - / 1 / 2 0
63SA032222 100% 0.537 PF01047 C2_S131 - (0)? - / 9 / 3 0
64SA206514 100% 0.759 PF02597 9 - (0)0 - / - / - 0
65SA142761 100% 0.618 PF01048 C1_S194 - (49)20 - / 39 / 16 13
66SA093420 100% 0.385 PF00381 21 - (0)? - / - / - 0
67SA044823 100% 0.637 PF01588 C2_S118 - (1)3 - / 3 / 1 2
68SA104420 100% 0.594 PF01979 C1_S112 - (3)1 - / - / 1 1
69SA115918 100% 0.722 PF00072 6 - (0)1 - / - / - 0
70SA025928 100% 0.537 PF05025 C5_S126 - (0)6 - / - / 13 1
71SA188757 100% 0.619 PF01820 C1_S181 - (57)11 - / 18 / 22 3
72SA010719 100% 0.831 PF04650 1 - (0)? - / - / - 0
73SA027110 100% 0.611 PF06013 2 - (0)? - / - / - 0
74SA110349 100% 0.596 PF01255 C8_S196 - (25)20 3 / 19 / 24 14
75SA235518 100% 0.598 PF00583 48 - (16)1 - / - / - 0
76SA157220 100% 0.573 PF01546 C1_S110 - (1)? - / - / 1 0
77SA14724 100% 0.512 PF00161 2 - (0)? - / - / - 0
78SA066110 100% 0.610 PF00486 15 - (0)? - / - / - 0
79SA072855 100% 0.536 PF00162 C9_S181 - (71)18 - / 21 / 23 9
80SA126090 100% 0.650 PF00303 C5_S1130 - (85)20 - / 4 / 75 9
81SA084351 100% 0.542 PF02801 C4_S152 - (5)20 - / 7 / 19 9
82SA053858 100% 0.645 PF03167 C8_S179 - (0)20 - / 2 / 33 12
83SA194712 100% 0.699 PF01022 13 - (0)? - / - / - 0
84SA100417 100% 0.630 PF11546 3 - (0)? - / - / - 0
85SA128929 100% 0.558 PF03099 C2_S135 - (11)13 9 / 7 / 4 7
86SA171418 100% 0.473 PF00781 C4_S123 - (18)? - / 1 / - 0
87SA152319 100% 0.551 PF01039 6 - (0)? - / - / - 0
88SA184312 100% 0.603 PF00183 14 - (8)1 - / - / - 0
89SA220921 100% 0.385 PF07968 54 - (0)1 - / - / - 0
90SA192515 100% 0.648 PF00996 C2_S110 - (0)2 - / - / 3 0
91SA20899 100% 0.633 PF03144 27 - (0)? - / - / - 0
92SA130932 100% 0.575 PF02224 C1_S134 - (31)12 1 / 13 / 10 6
93SA214011 100% 0.610 PF07859 C1_S118 - (0)1 - / - / 2 1
94SA003924 100% 0.463 PF00905 C5_S137 - (0)15 - / - / 17 6
95SA011120 100% 0.606 PF01497 C1_S139 - (0)1 - / 1 / 1 1
96SA172420 100% 0.517 PF00206 C2_S115 - (7)4 - / 1 / 3 2
97SA152215 100% 0.588 PF01039 2 - (0)? - / - / - 0
98SA082023 100% 0.587 PF03009 C2_S124 - (17)3 - / - / 1 0
99SA116420 100% 0.567 PF03447 C4_S135 - (26)3 - / - / 2 0
100SA051626 100% 0.605 PF00383 C4_S144 - (11)6 2 / 3 / 5 1

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