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_103020 93% 0.562 PF00107 C1_S135 - (26)5 3 / - / 2 1
151jhp_087622 35% 0.570 PF01168 C3_S145 - (34)5 - / 3 / 13 3
152jhp_089519 39% 0.533 PF01210 C1_S123 - (15)5 4 / 1 / 1 3
153jhp_063824 53% 0.500 PF00108 C7_S117 - (8)5 - / 2 / 3 2
154jhp_129420 31% 0.478 PF03446 C2_S134 - (27)5 1 / 2 / 1 2
155jhp_100015 43% 0.484 PF05175 C1_S131 - (0)5 - / 2 / 2 1
156jhp_143925 43% 0.600 PF00834 C3_S116 - (7)5 - / - / 4 2
157jhp_112939 44% 0.367 PF00005 C1_S168 - (67)5 - / 19 / - 3
158jhp_056820 91% 0.541 PF00155 C1_S145 - (30)5 - / - / 3 2
159jhp_028728 37% 0.589 PF08402 C1_S142 - (0)5 - / 1 / 7 3
160jhp_059431 56% 0.531 PF00206 C4_S117 - (10)5 - / - / 8 2
161jhp_087928 55% 0.478 PF01042 C7_S123 - (0)5 - / - / 7 0
162jhp_062125 39% 0.412 PF00317 C6_S130 - (30)5 - / 2 / 8 3
163jhp_016617 33% 0.538 PF00793 C5_S115 - (7)4 - / - / 4 2
164jhp_100211 90% 0.543 PF00534 C6_S116 - (13)4 - / 6 / 2 2
165jhp_134512 44% 0.482 PF10396 C4_S16 - (0)4 - / 5 / 1 2
166jhp_112421 100% 0.551 PF00687 C2_S17 - (0)4 - / - / 3 0
167jhp_021024 61% 0.502 PF01641 C4_S113 - (0)4 - / - / 6 0
168jhp_022215 46% 0.501 PF03900 C4_S125 - (7)4 3 / 7 / 1 2
169jhp_120719 96% 0.535 PF03070 C1_S137 - (14)4 - / - / 4 2
170jhp_038720 42% 0.496 PF00557 C1_S118 - (1)4 - / - / 2 0
171jhp_01248 38% 0.585 PF00578 C1_S112 - (0)4 - / - / 4 2
172jhp_035018 97% 0.467 PF04952 C4_S113 - (0)4 - / 1 / 4 2
173jhp_072714 38% 0.366 PF08282 C3_S123 - (0)4 - / 6 / 1 2
174jhp_059120 97% 0.566 PF12804 C2_S145 - (28)4 - / 6 / 4 2
175jhp_145220 45% 0.492 PF13603 C2_S125 - (0)4 - / 4 / 1 1
176jhp_105420 42% 0.396 PF00691 C4_S159 - (0)4 - / - / 3 3
177jhp_090820 44% 0.551 PF01676 C4_S112 - (9)4 - / 5 / 2 2
178jhp_031414 50% 0.625 PF01656 C2_S143 - (0)4 - / 5 / - 0
179jhp_126545 48% 0.463 PF00044 C4_S139 - (30)4 10 / 14 / 2 2
180jhp_109825 52% 0.579 PF08402 C1_S121 - (0)4 - / 3 / 2 2
181jhp_078316 38% 0.489 PF02110 C2_S148 - (41)4 - / - / 2 0
182jhp_094012 100% 0.568 PF00613 C5_S113 - (10)4 - / 5 / 3 2
183jhp_022826 98% 0.688 PF00210 C3_S111 - (0)4 - / - / 2 0
184jhp_003820 59% 0.479 PF01370 C1_S155 - (51)4 3 / 2 / - 2
185jhp_135820 40% 0.519 PF00005 C1_S138 - (0)4 - / 7 / 1 2
186jhp_084122 48% 0.543 PF01515 C9_S122 - (9)4 - / - / 4 1
187jhp_102325 50% 0.450 PF00106 C1_S150 - (38)4 9 / - / - 2
188jhp_033721 59% 0.540 PF00456 C1_S111 - (7)4 - / - / 5 1
189jhp_002918 58% 0.500 PF10431 C4_S122 - (21)4 - / 8 / 1 2
190jhp_065321 55% 0.593 PF00005 C1_S124 - (0)4 - / 4 / 3 2
191jhp_059611 88% 0.524 PF00534 C4_S116 - (13)4 - / 6 / 2 2
192jhp_112845 75% 0.590 PF03143 C3_S166 - (0)4 14 / 20 / 4 2
193jhp_067921 57% 0.634 PF13793 C10_S128 - (23)4 - / - / 7 2
194jhp_056920 44% 0.538 PF04551 C7_S122 - (0)4 - / - / 5 3
195jhp_102524 51% 0.659 PF01081 C1_S130 - (26)4 - / - / 5 2
196jhp_130814 55% 0.472 PF14489 C2_S124 - (0)4 - / - / 7 2
197jhp_020629 44% 0.528 PF00266 C2_S153 - (40)4 - / - / 17 1
198jhp_031220 95% 0.570 PF02540 C2_S154 - (49)3 - / 4 / 1 2
199jhp_087411 40% 0.332 PF00528 C2_S18 - (0)3 - / - / 1 0
200jhp_043520 34% 0.445 PF05958 C4_S170 - (22)3 - / 2 / 1 1

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