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]
100SA15931 38% 0.311 PF00062 5 - (0)? - / - / - 0
101SA21002 40% 0.549 PF00062 C6_S16 - (0)1 - / - / 1 0
102SA16540 42% 0.247 PF00067 0 - (0)? - / - / - 0
103SA00310 42% 0.310 PF00067 3 - (0)? - / - / - 0
104SA006310 33% 0.683 PF00067 9 - (0)? - / - / - 0
105SA21676 45% 0.620 PF00067 0 - (0)? - / - / - 0
106SA06510 37% 0.711 PF00067 3 - (0)? - / - / - 0
107SA00190 33% -0.022 PF00067 5 - (0)? - / - / - 0
108SA08820 29% 0.239 PF00069 2 - (0)? - / - / - 0
109SA210511 37% 0.630 PF00069 17 - (0)? - / - / - 0
110SA03181 42% 0.400 PF00069 2 - (0)? - / - / - 0
111SA00740 42% 0.329 PF00069 0 - (0)? - / - / - 0
112SA007718 37% 0.320 PF00069 24 - (12)? - / - / - 0
113SA106332 100% 0.524 PF00069 C1_S177 - (22)17 - / 9 / 15 7
114SA027512 100% 0.493 PF00069 0 - (0)? - / - / - 0
115SAP0050 30% 0.082 PF00071 0 - (0)? - / - / - 0
116SA23690 19% 0.466 PF00071 17 - (0)? - / - / - 0
117SA00600 41% 0.710 PF00071 13 - (0)? - / - / - 0
118SA208719 61% 0.580 PF00071 21 - (0)? - / - / - 0
119SA106416 45% 0.569 PF00071 42 - (40)? - / - / - 0
120SA167513 40% 0.284 PF00072 C1_S131 - (0)3 - / - / 4 1
121SA184416 100% 0.570 PF00072 C3_S19 - (0)2 - / - / 3 0
122SA02518 38% 0.630 PF00072 5 - (0)? - / - / - 0
123SA217914 36% 0.522 PF00072 3 - (0)? - / - / - 0
124SA166611 41% 0.628 PF00072 1 - (0)? - / - / - 0
125SA151611 69% 0.577 PF00072 11 - (0)? - / - / - 0
126SA132313 52% 0.478 PF00072 11 - (0)? - / - / - 0
127SA02152 37% 0.545 PF00072 5 - (0)? - / - / - 0
128SA115918 100% 0.722 PF00072 6 - (0)1 - / - / - 0
129SA170016 100% 0.594 PF00072 2 - (0)? - / - / - 0
130SA070120 36% 0.298 PF00072 47 - (0)? - / - / - 0
131SA126611 50% 0.541 PF00075 17 - (2)? - / - / - 0
132SA08090 40% 0.419 PF00076 1 - (0)? - / - / - 0
133SA15081 26% 0.464 PF00076 0 - (0)? - / - / - 0
134SA18270 32% 0.012 PF00077 13 - (0)? - / - / - 0
135SA21530 44% 0.369 PF00079 1 - (0)? - / - / - 0
136SA138224 71% 0.660 PF00081 C7_S14 - (1)3 - / - / 3 1
137SA012824 63% 0.582 PF00081 C8_S14 - (1)3 - / - / 3 1
138SA2013_10 28% 0.135 PF00084 0 - (0)? - / - / - 0
139SA174313 31% 0.471 PF00085 3 - (0)? - / - / - 0
140SA23247 33% 0.658 PF00085 5 - (0)? - / - / - 0
141SA1412_10 40% 0.124 PF00085 2 - (0)? - / - / - 0
142SA0163_10 33% 0.105 PF00085 4 - (0)? - / - / - 0
143SA2053_10 33% 0.509 PF00085 5 - (1)? - / - / - 0
144SA0768_16 32% 0.531 PF00085 10 - (0)? - / - / - 0
145SA07584 39% 0.638 PF00085 0 - (0)? - / - / - 0
146SA12350 35% 0.365 PF00085 4 - (0)? - / - / - 0
147SA13457 54% 0.620 PF00085 3 - (0)? - / - / - 0
148SA12616 56% 0.671 PF00085 2 - (0)? - / - / - 0
149SA15652 36% 0.540 PF00085 8 - (0)? - / - / - 0
150SA099243 100% 0.718 PF00085 C1_S134 - (0)6 - / - / 8 0

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