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]
150gbs174141 42% 0.384 PF00005 C2_S151 - (49)7 - / 21 / 1 5
151gbs116527 41% 0.529 PF00266 C1_S143 - (33)7 - / - / 19 2
152gbs028818 60% 0.364 PF00905 C1_S121 - (0)7 - / - / 6 3
153gbs133520 56% 0.576 PF02502 C7_S126 - (0)7 - / - / 2 1
154gbs167123 35% 0.483 PF00512 C3_S129 - (24)6 2 / 4 / 1 3
155gbs011627 56% 0.712 PF05025 C1_S126 - (0)6 - / - / 10 1
156gbs140125 44% 0.395 PF00005 C1_S157 - (55)6 - / 2 / 2 2
157gbs204820 37% 0.525 PF00994 C3_S110 - (0)6 - / 2 / 5 3
158gbs151319 59% 0.452 PF07690 C2_S118 - (0)6 - / - / 6 0
159gbs204920 48% 0.504 PF00730 C2_S133 - (0)6 - / - / 13 1
160gbs003220 76% 0.641 PF04131 C2_S133 - (11)6 - / - / 6 2
161gbs033825 53% 0.512 PF07977 C1_S124 - (1)6 - / - / 5 0
162gbs027720 60% 0.525 PF00905 C1_S126 - (0)6 - / - / 6 3
163gbs206020 52% 0.536 PF01336 C7_S133 - (23)6 - / 4 / 3 2
164gbs143422 61% 0.661 PF00156 C3_S183 - (44)6 - / 7 / 6 2
165gbs126521 55% 0.560 PF02776 C6_S156 - (20)6 - / - / 4 2
166gbs046632 47% 0.574 PF00248 C7_S1185 - (128)6 - / - / 8 0
167gbs010620 51% 0.551 PF00117 C4_S17 - (5)6 - / 1 / 5 3
168gbs027021 35% 0.568 PF00005 C1_S119 - (0)6 - / 5 / - 2
169gbs104020 45% 0.481 PF01751 C2_S113 - (0)6 2 / - / 6 2
170gbs012325 48% 0.534 PF00764 C5_S119 - (16)6 - / - / 4 2
171gbs088326 62% 0.516 PF00275 C6_S119 - (11)6 1 / 2 / 6 3
172gbs186918 58% 0.526 PF10431 C2_S117 - (0)6 1 / 10 / 1 3
173gbs084927 61% 0.510 PF00438 C2_S19 - (5)6 - / - / 6 1
174gbs086125 80% 0.538 PF00275 C6_S119 - (11)6 - / 6 / 2 3
175gbs202426 42% 0.553 PF01791 C4_S133 - (12)6 - / - / 7 1
176gbs074521 45% 0.421 PF14622 C2_S122 - (0)6 - / - / 7 0
177gbs110338 38% 0.427 PF00005 C4_S150 - (48)6 - / 21 / 1 4
178gbs169224 54% 0.588 PF02733 C6_S141 - (23)6 2 / - / 3 0
179gbs172826 49% 0.473 PF01168 C2_S148 - (37)6 - / 6 / 14 3
180gbs161220 56% 0.582 PF03848 C1_S149 - (26)6 - / 7 / 1 1
181gbs087420 36% 0.545 PF00534 C1_S150 - (21)6 - / 7 / 7 3
182gbs191720 55% 0.544 PF02502 C7_S148 - (36)6 - / - / 2 1
183gbs051821 68% 0.604 PF00480 C2_S132 - (25)5 - / - / 4 2
184gbs003825 31% 0.593 PF00701 C7_S116 - (16)5 - / - / 8 1
185gbs012219 34% 0.537 PF00512 C4_S132 - (29)5 3 / 8 / - 3
186gbs042124 51% 0.397 PF00702 C3_S116 - (0)5 - / 6 / 1 2
187gbs054122 53% 0.618 PF03853 C3_S163 - (51)5 - / 3 / 1 2
188gbs155466 57% 0.524 PF06827 C5_S1161 - (0)5 - / 27 / 40 2
189gbs035721 66% 0.539 PF01230 C6_S193 - (0)5 - / - / 2 1
190gbs033420 66% 0.560 PF00698 C1_S121 - (16)5 - / - / 5 2
191gbs189124 99% 0.528 PF00106 C1_S161 - (46)5 1 / - / 3 1
192gbs011224 42% 0.540 PF00749 C5_S119 - (16)5 - / 5 / 5 2
193gbs014734 38% 0.461 PF00005 C1_S147 - (0)5 - / 1 / 16 3
194gbs078248 75% 0.637 PF03143 C3_S165 - (0)5 13 / 25 / 2 3
195gbs144326 39% 0.516 PF00266 C1_S146 - (35)5 - / - / 14 1
196gbs050729 43% 0.355 PF00005 C1_S184 - (75)5 - / 6 / 1 2
197gbs076412 82% 0.377 PF03830 C6_S18 - (0)5 2 / - / 2 2
198gbs172218 37% 0.547 PF08282 15 - (2)5 - / - / - 0
199gbs138522 34% 0.517 PF00303 C2_S132 - (17)5 - / - / 5 2
200gbs171720 48% 0.642 PF02737 C1_S148 - (38)5 - / 2 / - 1

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