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]
50SA044823 100% 0.637 PF01588 C2_S118 - (1)3 - / 3 / 1 2
51SA032222 100% 0.537 PF01047 C2_S131 - (0)? - / 9 / 3 0
52SA011120 100% 0.606 PF01497 C1_S139 - (0)1 - / 1 / 1 1
53SA027512 100% 0.493 PF00069 0 - (0)? - / - / - 0
54SA16599 100% 0.573 PF00397 34 - (0)? - / - / - 0
55SA042222 100% 0.569 PF09084 C2_S112 - (0)1 - / - / 11 0
56SA205916 100% 0.525 PF00903 9 - (0)1 - / - / - 0
57SA217420 100% 0.532 PF01047 C1_S144 - (0)4 - / - / 5 1
58SA058720 100% 0.627 PF01297 C9_S11 - (0)1 - / - / 1 1
59SA072321 100% 0.606 PF00574 59 - (0)1 - / - / - 0
60SA025411 100% 0.499 PF07702 8 - (0)? - / - / - 0
61SA09613 100% 0.282 PF07408 0 - (0)? - / - / - 0
62SA184416 100% 0.570 PF00072 C3_S19 - (0)2 - / - / 3 0
63SA12547 100% 0.144 PF01467 12 - (6)? - / - / - 0
64SA130535 100% 0.652 PF00216 C9_S159 - (0)2 4 / 2 / 12 0
65SA171520 100% 0.542 PF02637 0 - (0)? - / - / - 0
66SA093420 100% 0.385 PF00381 21 - (0)? - / - / - 0
67SA207919 100% 0.603 PF01497 C2_S141 - (0)5 2 / 1 / 1 2
68SA072957 100% 0.647 PF00121 C8_S159 - (46)19 - / - / 38 7
69SA066110 100% 0.610 PF00486 15 - (0)? - / - / - 0
70SA069320 100% 0.796 PF02873 C1_S160 - (44)2 7 / - / 1 1
71SA096363 100% 0.538 PF02786 C2_S157 - (24)20 2 / 19 / 21 18
72SA173111 100% 0.588 PF00351 C5_S19 - (0)2 - / - / 3 1
73SA044120 100% 0.544 PF00543 C1_S128 - (0)2 - / 7 / - 1
74SA100720 100% 0.596 PF07968 54 - (0)1 - / - / - 0
75SA027110 100% 0.611 PF06013 2 - (0)? - / - / - 0
76SA12639 100% 0.670 PF01264 1 - (1)? - / - / - 0
77SA155030 100% 0.795 PF00579 C3_S145 - (35)8 - / 9 / 10 4
78SA102949 100% 0.668 PF00091 C6_S158 - (0)10 1 / 31 / 12 5
79SA091632 100% 0.679 PF00731 C9_S138 - (28)12 - / 1 / 16 4
80SA080520 100% 0.494 PF03061 C1_S135 - (0)2 - / - / 2 1
81SA18043 100% 0.759 PF00717 8 - (0)? - / - / - 0
82SA031019 100% 0.629 PF07859 39 - (1)? - / - / - 0
83SA206316 100% 0.520 PF04055 C3_S162 - (6)3 - / 1 / 9 1
84SA145315 100% 0.631 PF02082 C3_S15 - (0)? - / - / 1 0
85SA14724 100% 0.512 PF00161 2 - (0)? - / - / - 0
86SA187427 100% 0.573 PF01168 C1_S151 - (40)6 - / 5 / 15 3
87SA099243 100% 0.718 PF00085 C1_S134 - (0)6 - / - / 8 0
88SA134319 100% 0.645 PF04151 C1_S130 - (5)2 - / - / 2 0
89SA072728 100% 0.545 PF00044 C4_S115 - (9)2 5 / 3 / - 1
90SA125213 100% 0.644 PF00583 40 - (13)1 - / - / - 0
91SA118949 100% 0.484 PF00521 C3_S192 - (0)8 - / 3 / 37 0
92SA104420 100% 0.594 PF01979 C1_S112 - (3)1 - / - / 1 1
93SA172316 100% 0.508 PF00579 13 - (0)? - / - / - 0
94SA161521 100% 0.564 PF13193 C6_S152 - (20)3 - / - / 3 2
95SA152319 100% 0.551 PF01039 6 - (0)? - / - / - 0
96SA097368 100% 0.577 PF01467 C2_S1112 - (89)20 - / 24 / 38 10
97SA1730106 100% 0.680 PF02898 C9_S1414 - (28)20 104 / - / 14 11
98SA097722 100% 0.574 PF05031 C12_S161 - (0)7 15 / 1 / 3 3
99SA19002 100% 0.660 PF00046 2 - (0)? - / - / - 0
100SA102820 100% 0.578 PF02491 17 - (0)? - / - / - 0

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