Atome 2 : Comparative Modeling, Annotation & Complexes Prediction of Study :
UP000000804 (Helicobacter pylori - Dec 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]
150jhp_108823 97% 0.595 PF00258 C4_S181 - (78)2 2 / 5 / - 1
151jhp_023522 37% 0.498 PF00005 C3_S138 - (0)5 - / - / 5 3
152jhp_084122 48% 0.543 PF01515 C9_S122 - (9)4 - / - / 4 1
153jhp_078122 40% 0.660 PF02581 C3_S151 - (40)14 - / 8 / 13 4
154jhp_142022 41% 0.495 PF01380 C2_S114 - (13)10 - / - / 11 5
155jhp_003022 100% 0.704 PF02261 C1_S139 - (6)2 3 / - / 2 2
156jhp_099222 99% 0.525 PF00081 5 - (5)2 - / - / - 0
157jhp_087622 35% 0.570 PF01168 C3_S145 - (34)5 - / 3 / 13 3
158jhp_102022 38% 0.522 PF01370 C1_S185 - (71)1 2 / - / - 1
159jhp_012222 47% 0.592 PF01474 C4_S112 - (9)7 - / 2 / 5 3
160jhp_052122 45% 0.547 PF02502 C7_S124 - (0)11 - / - / 5 4
161jhp_137122 52% 0.452 PF13361 C4_S133 - (0)2 - / 2 / 3 1
162jhp_124522 63% 0.529 PF00206 C3_S117 - (10)7 - / - / 7 2
163jhp_055122 46% 0.601 PF01208 C5_S113 - (10)5 8 / - / - 2
164jhp_067921 57% 0.634 PF13793 C10_S128 - (23)4 - / - / 7 2
165jhp_121621 53% 0.549 PF00416 C3_S115 - (0)? - / - / 1 0
166jhp_118021 47% 0.506 PF02146 C4_S1137 - (38)1 2 / 3 / - 0
167jhp_096721 47% 0.526 PF01588 C3_S125 - (1)1 2 / - / - 1
168jhp_046421 57% 0.579 PF00227 C7_S122 - (0)1 - / - / 1 1
169jhp_113321 45% 0.627 PF00132 C2_S1114 - (72)6 - / - / 13 1
170jhp_033721 59% 0.540 PF00456 C1_S111 - (7)4 - / - / 5 1
171jhp_065321 55% 0.593 PF00005 C1_S124 - (0)4 - / 4 / 3 2
172jhp_142821 54% 0.445 PF05222 C2_S169 - (68)7 4 / 4 / 3 2
173jhp_124021 57% 0.581 PF00338 4 - (0)1 - / - / - 0
174jhp_148421 46% 0.507 PF08402 C2_S121 - (0)? - / - / 1 0
175jhp_051721 40% 0.529 PF02789 16 - (1)? - / - / - 0
176jhp_128121 32% 0.523 PF03853 C4_S157 - (46)11 - / 4 / 7 4
177jhp_064021 41% 0.375 PF01219 C3_S160 - (0)1 - / - / 1 1
178jhp_073421 49% 0.451 PF01967 24 - (0)1 - / - / - 0
179jhp_101521 91% 0.583 PF01041 C1_S150 - (29)6 - / - / 7 2
180jhp_079121 59% 0.649 PF13580 C3_S113 - (9)3 - / - / 8 2
181jhp_073021 99% 0.575 PF00574 C7_S159 - (0)1 - / - / 1 0
182jhp_147821 42% 0.544 PF08282 25 - (2)2 - / - / - 0
183jhp_112421 100% 0.551 PF00687 C2_S17 - (0)4 - / - / 3 0
184jhp_108621 94% 0.566 PF02661 C8_S124 - (0)6 5 / 2 / 3 3
185jhp_057421 50% 0.380 PF01058 28 - (0)1 - / - / - 0
186jhp_002720 37% 0.573 PF00582 19 - (0)? - / - / - 0
187jhp_008820 35% 0.609 PF02826 50 - (35)1 - / - / - 0
188jhp_139620 32% 0.366 PF00702 17 - (0)? - / - / - 0
189jhp_006520 99% 0.532 PF02814 0 - (0)? - / - / - 0
190jhp_056920 44% 0.538 PF04551 C7_S122 - (0)4 - / - / 5 3
191jhp_100120 57% 0.496 PF02812 0 - (0)? - / - / - 0
192jhp_117320 45% 0.532 PF00496 43 - (0)? - / - / - 0
193jhp_046120 52% ? PF03951 0 - (0)? - / - / - 0
194jhp_003920 37% 0.502 PF01370 71 - (58)? - / - / - 0
195jhp_075820 38% 0.588 PF08402 33 - (0)? - / - / - 0
196jhp_103920 49% 0.563 PF00206 C4_S110 - (6)1 - / - / 1 1
197jhp_102720 31% 0.551 PF00479 C2_S126 - (17)2 - / - / 2 1
198jhp_038920 35% 0.541 PF02978 C6_S153 - (0)6 1 / 4 / 1 3
199jhp_011120 41% 0.366 PF01326 C1_S18 - (3)2 - / - / 1 1
200jhp_000420 40% 0.461 PF00484 9 - (0)1 - / - / - 0

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