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]
50SA090120 100% 0.490 PF00089 22 - (0)? - / - / - 0
51SA1195_17 100% 0.760 PF01361 20 - (0)1 - / - / - 0
52SA107438 100% 0.661 PF00106 C1_S163 - (41)12 12 / 5 / 8 2
53SA148920 100% 0.585 PF00730 C6_S131 - (0)5 - / - / 12 1
54SA162919 100% 0.489 PF00089 1 - (0)? - / - / - 0
55SA010811 100% 0.878 PF01047 3 - (0)? - / - / - 0
56SA125213 100% 0.644 PF00583 40 - (13)1 - / - / - 0
57SA106332 100% 0.524 PF00069 C1_S177 - (22)17 - / 9 / 15 7
58SA082023 100% 0.587 PF03009 C2_S124 - (17)3 - / - / 1 0
59SA239313 100% 0.622 PF08546 C2_S138 - (23)4 5 / - / - 2
60SA181919 100% 0.734 PF02876 5 - (0)? - / - / - 0
61SA207919 100% 0.603 PF01497 C2_S141 - (0)5 2 / 1 / 1 2
62SA206514 100% 0.759 PF02597 9 - (0)0 - / - / - 0
63SA075915 100% 0.635 PF03960 C2_S116 - (0)1 - / - / 1 0
64SA053858 100% 0.645 PF03167 C8_S179 - (0)20 - / 2 / 33 12
65SA187315 100% 0.646 PF02452 C2_S12 - (0)? 1 / - / - 0
66SA22068 100% 0.600 PF02852 0 - (0)? - / - / - 0
67SA171520 100% 0.542 PF02637 0 - (0)? - / - / - 0
68SA145315 100% 0.631 PF02082 C3_S15 - (0)? - / - / 1 0
69SA10038 100% 0.694 PF12199 0 - (0)? - / - / - 0
70SA152319 100% 0.551 PF01039 6 - (0)? - / - / - 0
71SA089320 100% 0.584 PF00583 59 - (36)? - / - / - 0
72SA231725 100% 0.599 PF00583 C1_S132 - (0)7 2 / - / 5 2
73SA152215 100% 0.588 PF01039 2 - (0)? - / - / - 0
74SA01440 100% 0.377 PF00575 4 - (0)? - / - / - 0
75SA168353 100% 0.405 PF00005 C1_S164 - (58)11 - / 29 / 7 6
76SA126090 100% 0.650 PF00303 C5_S1130 - (85)20 - / 4 / 75 9
77SA003924 100% 0.463 PF00905 C5_S137 - (0)15 - / - / 17 6
78SA104420 100% 0.594 PF01979 C1_S112 - (3)1 - / - / 1 1
79SA051626 100% 0.605 PF00383 C4_S144 - (11)6 2 / 3 / 5 1
80SA099820 100% 0.601 PF01725 C3_S114 - (12)5 - / 6 / 5 2
81SA20899 100% 0.633 PF03144 27 - (0)? - / - / - 0
82SA014920 100% 0.558 PF01370 60 - (52)? - / - / - 0
83SA220720 100% 0.390 PF07968 5 - (0)? - / - / - 0
84SA181720 100% 0.678 PF01123 1 - (0)? - / - / - 0
85SA031019 100% 0.629 PF07859 39 - (1)? - / - / - 0
86SA032222 100% 0.537 PF01047 C2_S131 - (0)? - / 9 / 3 0
87SA125970 100% 0.632 PF00186 C6_S1163 - (83)20 65 / 7 / 9 10
88SA130535 100% 0.652 PF00216 C9_S159 - (0)2 4 / 2 / 12 0
89SA075420 100% 0.524 PF00583 C3_S129 - (16)? - / - / 1 0
90SA115918 100% 0.722 PF00072 6 - (0)1 - / - / - 0
91SA027512 100% 0.493 PF00069 0 - (0)? - / - / - 0
92SA1730106 100% 0.680 PF02898 C9_S1414 - (28)20 104 / - / 14 11
93SA116420 100% 0.567 PF03447 C4_S135 - (26)3 - / - / 2 0
94SA114533 100% 0.702 PF01423 C5_S1107 - (0)4 - / 8 / 16 2
95SA161521 100% 0.564 PF13193 C6_S152 - (20)3 - / - / 3 2
96SA220921 100% 0.385 PF07968 54 - (0)1 - / - / - 0
97SA158315 100% 0.627 PF01047 12 - (0)? - / - / - 0
98SA163820 100% 0.511 PF07968 4 - (0)? - / - / - 0
99SA194712 100% 0.699 PF01022 13 - (0)? - / - / - 0
100SA047266 100% 0.800 PF00809 C6_S176 - (31)20 - / - / 57 25

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