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]
200jhp_142920 62% 0.594 PF00107 C1_S146 - (34)6 8 / - / - 2
201jhp_126545 48% 0.463 PF00044 C4_S139 - (30)4 10 / 14 / 2 2
202jhp_040526 48% 0.536 PF13180 C2_S119 - (0)2 - / - / 13 1
203jhp_064141 58% 0.474 PF00521 C6_S166 - (0)8 - / 1 / 30 1
204jhp_102812 37% 0.481 PF01182 C3_S18 - (2)1 - / - / 1 1
205jhp_072323 54% 0.476 PF07516 C3_S115 - (0)2 - / 1 / 3 1
206jhp_143817 38% 0.462 PF00929 C1_S146 - (38)3 - / - / 1 1
207jhp_067319 35% 0.514 PF00266 C1_S137 - (28)2 - / - / 1 1
208jhp_120616 88% 0.462 PF04264 C5_S114 - (0)2 - / 4 / - 1
209jhp_033721 59% 0.540 PF00456 C1_S111 - (7)4 - / - / 5 1
210jhp_051617 56% 0.521 PF01926 C8_S114 - (0)1 - / 2 / - 1
211jhp_144024 30% 0.455 PF00316 C3_S129 - (25)2 - / - / 19 1
212jhp_043520 34% 0.445 PF05958 C4_S170 - (22)3 - / 2 / 1 1
213jhp_02133 42% 0.383 PF00046 C6_S19 - (0)1 - / - / 2 1
214jhp_140016 67% 0.527 PF03435 C2_S122 - (18)1 1 / - / - 1
215jhp_08949 68% 0.563 PF01048 C3_S112 - (10)3 - / 1 / 3 1
216jhp_054520 31% 0.497 PF00155 C1_S121 - (17)2 - / - / 2 1
217jhp_096721 47% 0.526 PF01588 C3_S125 - (1)1 2 / - / - 1
218jhp_08689 31% 0.341 PF04055 C7_S126 - (3)2 - / - / 1 1
219jhp_12568 38% 0.560 PF01467 C2_S165 - (40)2 - / - / 2 1
220jhp_138314 43% 0.429 PF01837 C1_S129 - (0)2 - / - / 3 1
221jhp_137122 52% 0.452 PF13361 C4_S133 - (0)2 - / 2 / 3 1
222jhp_098423 36% 0.504 PF02826 C1_S162 - (45)2 4 / 2 / - 1
223jhp_125720 97% 0.548 PF01402 C6_S120 - (0)3 - / - / 3 1
224jhp_079420 41% 0.582 PF08645 C2_S117 - (3)3 - / - / 1 1
225jhp_057020 49% 0.478 PF14602 C2_S127 - (24)2 - / - / 2 1
226jhp_084122 48% 0.543 PF01515 C9_S122 - (9)4 - / - / 4 1
227jhp_102720 31% 0.551 PF00479 C2_S126 - (17)2 - / - / 2 1
228jhp_056425 98% 0.513 PF00719 C7_S16 - (6)2 - / - / 4 1
229jhp_146918 89% 0.659 PF01497 C1_S121 - (0)2 - / - / 2 1
230jhp_057316 61% 0.641 PF02525 C4_S118 - (12)3 2 / - / 1 1
231jhp_044920 36% 0.404 PF13520 C4_S137 - (0)2 - / - / 3 1
232jhp_097220 62% 0.583 PF02540 C1_S110 - (9)1 - / - / 2 1
233jhp_071211 48% 0.484 PF02824 C4_S11 - (1)1 - / - / 1 1
234jhp_011120 41% 0.366 PF01326 C1_S18 - (3)2 - / - / 1 1
235jhp_06583 98% 0.659 PF03223 C3_S15 - (0)1 - / - / 3 1
236jhp_039018 56% 0.543 PF01656 C2_S182 - (73)2 - / - / 1 1
237jhp_008323 98% 0.613 PF00698 C2_S115 - (11)8 - / - / 3 1
238jhp_112524 67% 0.699 PF03946 C4_S16 - (0)2 - / - / 3 1
239jhp_141717 39% 0.558 PF08299 C2_S117 - (0)2 - / 6 / - 1
240jhp_00665 100% 0.206 PF02293 C5_S112 - (0)1 - / - / 1 1
241jhp_120320 46% 0.451 PF00425 C1_S113 - (0)7 - / - / 4 1
242jhp_109917 58% 0.605 PF00072 C1_S151 - (0)2 - / - / 7 1
243jhp_046421 57% 0.579 PF00227 C7_S122 - (0)1 - / - / 1 1
244jhp_077319 51% 0.525 PF01926 C3_S146 - (0)2 - / 5 / - 1
245jhp_141220 38% 0.448 PF00271 C1_S125 - (23)1 - / - / 2 1
246jhp_066420 38% 0.489 PF01207 C2_S148 - (34)1 - / 2 / - 1
247jhp_100015 43% 0.484 PF05175 C1_S131 - (0)5 - / 2 / 2 1
248jhp_031014 93% 0.394 PF13302 C2_S139 - (0)2 - / 4 / - 1
249jhp_113321 45% 0.627 PF00132 C2_S1114 - (72)6 - / - / 13 1
250jhp_071011 29% 0.529 PF01070 C5_S113 - (10)1 - / 1 / - 1

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