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]
150gbs082923 48% 0.430 PF07973 C2_S122 - (20)7 1 / 4 / 4 5
151gbs057130 40% 0.633 PF00155 C1_S138 - (33)7 - / 1 / 24 3
152gbs005022 40% 0.530 PF01451 C9_S117 - (2)7 - / - / 9 4
153gbs184020 44% 0.529 PF00456 C3_S115 - (10)7 - / 8 / 3 4
154gbs151319 59% 0.452 PF07690 C2_S118 - (0)6 - / - / 6 0
155gbs140125 44% 0.395 PF00005 C1_S157 - (55)6 - / 2 / 2 2
156gbs010620 51% 0.551 PF00117 C4_S17 - (5)6 - / 1 / 5 3
157gbs088326 62% 0.516 PF00275 C6_S119 - (11)6 1 / 2 / 6 3
158gbs167123 35% 0.483 PF00512 C3_S129 - (24)6 2 / 4 / 1 3
159gbs003220 76% 0.641 PF04131 C2_S133 - (11)6 - / - / 6 2
160gbs169224 54% 0.588 PF02733 C6_S141 - (23)6 2 / - / 3 0
161gbs202426 42% 0.553 PF01791 C4_S133 - (12)6 - / - / 7 1
162gbs206020 52% 0.536 PF01336 C7_S133 - (23)6 - / 4 / 3 2
163gbs011627 56% 0.712 PF05025 C1_S126 - (0)6 - / - / 10 1
164gbs027720 60% 0.525 PF00905 C1_S126 - (0)6 - / - / 6 3
165gbs084927 61% 0.510 PF00438 C2_S19 - (5)6 - / - / 6 1
166gbs172826 49% 0.473 PF01168 C2_S148 - (37)6 - / 6 / 14 3
167gbs204820 37% 0.525 PF00994 C3_S110 - (0)6 - / 2 / 5 3
168gbs186918 58% 0.526 PF10431 C2_S117 - (0)6 1 / 10 / 1 3
169gbs074521 45% 0.421 PF14622 C2_S122 - (0)6 - / - / 7 0
170gbs191720 55% 0.544 PF02502 C7_S148 - (36)6 - / - / 2 1
171gbs204920 48% 0.504 PF00730 C2_S133 - (0)6 - / - / 13 1
172gbs086125 80% 0.538 PF00275 C6_S119 - (11)6 - / 6 / 2 3
173gbs104020 45% 0.481 PF01751 C2_S113 - (0)6 2 / - / 6 2
174gbs033825 53% 0.512 PF07977 C1_S124 - (1)6 - / - / 5 0
175gbs027021 35% 0.568 PF00005 C1_S119 - (0)6 - / 5 / - 2
176gbs087420 36% 0.545 PF00534 C1_S150 - (21)6 - / 7 / 7 3
177gbs126521 55% 0.560 PF02776 C6_S156 - (20)6 - / - / 4 2
178gbs110338 38% 0.427 PF00005 C4_S150 - (48)6 - / 21 / 1 4
179gbs012325 48% 0.534 PF00764 C5_S119 - (16)6 - / - / 4 2
180gbs046632 47% 0.574 PF00248 C7_S1185 - (128)6 - / - / 8 0
181gbs161220 56% 0.582 PF03848 C1_S149 - (26)6 - / 7 / 1 1
182gbs143422 61% 0.661 PF00156 C3_S183 - (44)6 - / 7 / 6 2
183gbs164219 37% 0.558 PF01479 C2_S117 - (0)5 - / - / 1 1
184gbs089920 64% 0.581 PF03099 C3_S123 - (16)5 - / 1 / 3 3
185gbs078248 75% 0.637 PF03143 C3_S165 - (0)5 13 / 25 / 2 3
186gbs138522 34% 0.517 PF00303 C2_S132 - (17)5 - / - / 5 2
187gbs051821 68% 0.604 PF00480 C2_S132 - (25)5 - / - / 4 2
188gbs076412 82% 0.377 PF03830 C6_S18 - (0)5 2 / - / 2 2
189gbs035721 66% 0.539 PF01230 C6_S193 - (0)5 - / - / 2 1
190gbs191620 57% 0.561 PF00294 C1_S143 - (34)5 - / 5 / 2 3
191gbs144326 39% 0.516 PF00266 C1_S146 - (35)5 - / - / 14 1
192gbs181925 83% 0.728 PF00834 C3_S116 - (10)5 - / - / 4 2
193gbs194722 43% 0.624 PF00512 C3_S132 - (30)5 2 / 10 / - 3
194gbs014734 38% 0.461 PF00005 C1_S147 - (0)5 - / 1 / 16 3
195gbs117520 67% 0.595 PF02793 C1_S147 - (0)5 - / - / 7 3
196gbs171720 48% 0.642 PF02737 C1_S148 - (38)5 - / 2 / - 1
197gbs128820 99% 0.553 PF02922 C1_S134 - (0)5 - / - / 2 2
198gbs014825 36% 0.555 PF00005 C1_S147 - (0)5 - / 2 / 3 4
199gbs054122 53% 0.618 PF03853 C3_S163 - (51)5 - / 3 / 1 2
200gbs094744 68% 0.621 PF00056 C7_S140 - (30)5 2 / 14 / 7 2

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