Atome 2 : Comparative Modeling, Annotation & Complexes Prediction of Study :
UP000000823 (STRA3: Streptococcus agalactiae serotype III - Nov 2015)

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]
150gbs19070 50% 0.280 PF00082 7 - (0)? - / - / - 0
151gbs01757 36% 0.664 PF00085 6 - (0)? - / - / - 0
152gbs190520 31% 0.561 PF00085 4 - (0)? - / - / - 0
153gbs176221 56% 0.706 PF00085 C1_S13 - (0)? - / - / 1 0
154gbs049814 33% 0.524 PF00085 2 - (0)? - / - / - 0
155gbs03760 21% 0.082 PF00086 1 - (0)? - / - / - 0
156gbs04280 26% 0.019 PF00089 0 - (0)? - / - / - 0
157gbs06870 23% 0.096 PF00089 14 - (0)? - / - / - 0
158gbs08128 44% 0.431 PF00091 4 - (0)? - / - / - 0
159gbs147820 47% 0.409 PF00092 0 - (0)? - / - / - 0
160gbs063220 100% 0.436 PF00092 0 - (0)? - / - / - 0
161gbs05290 28% 0.375 PF00098 1 - (0)? - / - / - 0
162gbs020811 41% 0.332 PF00098 6 - (0)? - / - / - 0
163gbs130111 28% 0.415 PF00098 3 - (0)? - / - / - 0
164gbs00450 42% 0.192 PF00101 0 - (0)? - / - / - 0
165gbs20320 29% -0.120 PF00105 8 - (0)? - / - / - 0
166gbs067620 33% 0.547 PF00106 38 - (36)? - / - / - 0
167gbs128120 36% 0.551 PF00106 36 - (29)? - / - / - 0
168gbs056920 58% 0.639 PF00106 C1_S1143 - (70)2 3 / 1 / - 1
169gbs109711 57% 0.613 PF00106 19 - (13)? - / - / - 0
170gbs189124 99% 0.528 PF00106 C1_S161 - (46)5 1 / - / 3 1
171gbs033539 55% 0.658 PF00106 C1_S159 - (38)13 12 / 4 / 2 3
172gbs160020 33% 0.582 PF00106 56 - (42)1 - / - / - 0
173gbs115823 51% 0.549 PF00106 C1_S154 - (37)4 9 / - / - 2
174gbs046414 29% 0.381 PF00107 20 - (13)? - / - / - 0
175gbs168420 33% 0.527 PF00107 31 - (20)1 - / - / - 0
176gbs18601 36% 0.071 PF00107 0 - (0)? - / - / - 0
177gbs03980 35% 0.425 PF00107 2 - (1)? - / - / - 0
178gbs005426 65% 0.614 PF00107 C1_S158 - (33)8 1 / 1 / 2 2
179gbs12120 39% 0.034 PF00107 85 - (83)? - / - / - 0
180gbs04230 53% -0.013 PF00108 0 - (0)? - / - / - 0
181gbs03660 50% 0.132 PF00114 3 - (0)? - / - / - 0
182gbs05520 26% 0.560 PF00114 0 - (0)? - / - / - 0
183gbs01633 30% 0.094 PF00114 1 - (0)? - / - / - 0
184gbs01617 40% 0.418 PF00114 1 - (0)? - / - / - 0
185gbs03890 33% 0.063 PF00115 1 - (0)? - / - / - 0
186gbs11370 64% 0.511 PF00115 18 - (0)? - / - / - 0
187gbs18616 38% 0.373 PF00115 8 - (0)? - / - / - 0
188gbs169015 41% 0.482 PF00117 0 - (0)? - / - / - 0
189gbs050916 40% 0.551 PF00117 2 - (0)? - / - / - 0
190gbs143318 41% 0.507 PF00117 2 - (0)? - / - / - 0
191gbs107816 43% 0.553 PF00117 1 - (0)? - / - / - 0
192gbs010620 51% 0.551 PF00117 C4_S17 - (5)6 - / 1 / 5 3
193gbs090011 24% 0.227 PF00117 2 - (1)? - / - / - 0
194gbs202920 61% 0.569 PF00118 0 - (0)? - / - / - 0
195gbs20800 25% 0.193 PF00121 9 - (6)? - / - / - 0
196gbs078356 59% 0.602 PF00121 C3_S154 - (48)20 - / - / 33 7
197gbs019056 44% 0.541 PF00128 C1_S1111 - (0)20 - / - / 40 8
198gbs191128 75% 0.532 PF00128 C1_S1106 - (0)16 - / 1 / 18 7
199gbs087120 40% 0.474 PF00128 29 - (11)? - / - / - 0
200gbs19890 35% 0.141 PF00128 5 - (0)? - / - / - 0

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