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]
150gbs086420 88% 0.473 PF00557 C3_S152 - (1)2 - / - / 3 1
151gbs004423 50% 0.545 PF02222 C2_S152 - (37)8 - / 7 / 11 5
152gbs095513 51% 0.545 PF13932 C1_S152 - (32)2 4 / - / - 1
153gbs066334 37% 0.527 PF08402 C1_S152 - (49)10 - / - / 15 5
154gbs049013 41% 0.492 PF13302 52 - (0)? - / - / - 0
155gbs014920 32% 0.500 PF00288 C1_S152 - (39)3 - / 2 / 1 2
156gbs173519 29% 0.399 PF00251 C2_S152 - (16)1 - / - / 1 1
157gbs188420 32% 0.528 PF00356 C3_S152 - (0)2 - / - / 2 0
158gbs054028 54% 0.659 PF02882 C5_S151 - (37)15 7 / 6 / 12 7
159gbs139523 68% 0.526 PF00288 C1_S151 - (26)9 - / 11 / 1 3
160gbs186715 34% 0.574 PF01712 C4_S151 - (38)4 - / 7 / 2 3
161gbs015430 60% 0.574 PF00579 C3_S151 - (40)7 - / 9 / 7 4
162gbs045012 46% 0.424 PF00583 51 - (30)? - / - / - 0
163gbs174141 42% 0.384 PF00005 C2_S151 - (49)7 - / 21 / 1 5
164gbs171220 58% 0.471 PF01425 C7_S151 - (0)2 - / - / 2 2
165gbs11477 43% 0.758 PF00717 50 - (0)? - / - / - 0
166gbs210920 54% 0.612 PF00005 C1_S150 - (0)2 - / - / 1 1
167gbs212439 73% 0.710 PF02729 C8_S150 - (42)11 - / 5 / 20 5
168gbs195920 48% 0.519 PF00583 50 - (23)0 - / - / - 0
169gbs159318 55% 0.474 PF00293 C3_S150 - (33)4 - / - / 5 2
170gbs110338 38% 0.427 PF00005 C4_S150 - (48)6 - / 21 / 1 4
171gbs172428 42% 0.715 PF08501 C7_S150 - (47)7 10 / 6 / 4 2
172gbs087420 36% 0.545 PF00534 C1_S150 - (21)6 - / 7 / 7 3
173gbs184920 40% 0.524 PF00356 50 - (0)? - / - / - 0
174gbs159450 79% 0.606 PF12804 C4_S150 - (33)20 1 / 27 / 15 12
175gbs17966 79% 0.545 PF02852 C3_S150 - (45)2 2 / - / - 1
176gbs161220 56% 0.582 PF03848 C1_S149 - (26)6 - / 7 / 1 1
177gbs051519 50% 0.604 PF14815 C2_S149 - (0)2 - / 3 / 1 0
178gbs13245 41% 0.187 PF12950 C3_S149 - (22)1 - / - / 1 0
179gbs17613 42% 0.632 PF00717 49 - (0)1 - / - / - 0
180gbs159720 36% 0.511 PF02894 C1_S149 - (41)1 - / - / 1 0
181gbs056720 43% 0.527 PF00561 49 - (3)? - / - / - 0
182gbs078445 54% 0.561 PF00300 C1_S149 - (41)15 - / - / 28 5
183gbs16637 34% 0.644 PF00583 48 - (34)? - / - / - 0
184gbs191720 55% 0.544 PF02502 C7_S148 - (36)6 - / - / 2 1
185gbs171720 48% 0.642 PF02737 C1_S148 - (38)5 - / 2 / - 1
186gbs176024 43% 0.504 PF14815 C2_S148 - (0)9 11 / - / 5 2
187gbs127411 33% 0.463 PF01266 48 - (37)? - / - / - 0
188gbs196018 50% 0.354 PF00293 48 - (15)? - / - / - 0
189gbs109520 54% 0.542 PF00724 48 - (24)? - / - / - 0
190gbs172826 49% 0.473 PF01168 C2_S148 - (37)6 - / 6 / 14 3
191gbs05119 33% 0.487 PF04055 C2_S147 - (13)2 - / 4 / 1 1
192gbs154011 38% 0.526 PF01425 47 - (0)? - / - / - 0
193gbs122949 84% 0.523 PF01751 C3_S147 - (0)17 5 / 20 / 9 10
194gbs014825 36% 0.555 PF00005 C1_S147 - (0)5 - / 2 / 3 4
195gbs177715 33% 0.281 PF00230 47 - (0)? - / - / - 0
196gbs169428 71% 0.606 PF02733 C11_S147 - (25)8 3 / - / 7 0
197gbs014734 38% 0.461 PF00005 C1_S147 - (0)5 - / 1 / 16 3
198gbs117520 67% 0.595 PF02793 C1_S147 - (0)5 - / - / 7 3
199gbs186220 100% 0.466 PF01820 46 - (25)? - / - / - 0
200gbs179222 36% 0.570 PF02353 C2_S146 - (26)10 - / 16 / 8 0

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