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]
100jhp_087622 35% 0.570 PF01168 C3_S145 - (34)5 - / 3 / 13 3
101jhp_112939 44% 0.367 PF00005 C1_S168 - (67)5 - / 19 / - 3
102jhp_105420 42% 0.396 PF00691 C4_S159 - (0)4 - / - / 3 3
103jhp_035324 39% 0.337 PF00702 C3_S117 - (0)6 - / 6 / 2 3
104jhp_024913 57% 0.604 PF10431 C4_S113 - (0)6 - / 11 / - 3
105jhp_086330 46% 0.598 PF01227 C13_S126 - (2)8 - / - / 22 3
106jhp_089519 39% 0.533 PF01210 C1_S123 - (15)5 4 / 1 / 1 3
107jhp_110527 45% 0.570 PF01676 C6_S115 - (2)6 - / - / 7 3
108jhp_004837 35% 0.355 PF00171 C3_S155 - (0)16 2 / 7 / 7 3
109jhp_108621 94% 0.566 PF02661 C8_S124 - (0)6 5 / 2 / 3 3
110jhp_148926 45% 0.573 PF03740 C10_S119 - (18)6 - / - / 10 3
111jhp_002231 46% 0.548 PF00285 C9_S115 - (11)7 - / 4 / 8 3
112jhp_046024 40% 0.553 PF01113 C3_S149 - (33)8 6 / 1 / 2 3
113jhp_127329 96% 0.558 PF02749 C6_S138 - (21)8 - / - / 14 3
114jhp_056920 44% 0.538 PF04551 C7_S122 - (0)4 - / - / 5 3
115jhp_071120 42% 0.533 PF00579 C3_S136 - (27)10 - / 2 / 5 3
116jhp_031318 49% 0.506 PF07991 C6_S128 - (19)7 - / 4 / 3 3
117jhp_062125 39% 0.412 PF00317 C6_S130 - (30)5 - / 2 / 8 3
118jhp_000527 54% 0.677 PF00215 C2_S140 - (28)10 - / 13 / 3 3
119jhp_028728 37% 0.589 PF08402 C1_S142 - (0)5 - / 1 / 7 3
120jhp_032320 49% 0.541 PF00117 C2_S113 - (9)6 - / - / 5 3
121jhp_017813 70% 0.503 PF02910 C3_S151 - (45)3 - / - / 3 3
122jhp_031220 95% 0.570 PF02540 C2_S154 - (49)3 - / 4 / 1 2
123jhp_061533 45% 0.586 PF00155 C1_S144 - (37)7 - / 1 / 24 2
124jhp_056020 51% 0.574 PF01336 C5_S142 - (30)6 - / 5 / 3 2
125jhp_003022 100% 0.704 PF02261 C1_S139 - (6)2 3 / - / 2 2
126jhp_135820 40% 0.519 PF00005 C1_S138 - (0)4 - / 7 / 1 2
127jhp_01248 38% 0.585 PF00578 C1_S112 - (0)4 - / - / 4 2
128jhp_035018 97% 0.467 PF04952 C4_S113 - (0)4 - / 1 / 4 2
129jhp_072714 38% 0.366 PF08282 C3_S123 - (0)4 - / 6 / 1 2
130jhp_102920 41% 0.545 PF00480 C2_S128 - (20)3 - / - / 4 2
131jhp_083719 98% 0.602 PF02492 C2_S123 - (0)3 - / 5 / - 2
132jhp_126545 48% 0.463 PF00044 C4_S139 - (30)4 10 / 14 / 2 2
133jhp_143925 43% 0.600 PF00834 C3_S116 - (7)5 - / - / 4 2
134jhp_056717 54% 0.484 PF08245 C1_S130 - (19)6 3 / 3 / - 2
135jhp_026844 40% 0.570 PF01202 C4_S165 - (62)6 5 / 16 / 14 2
136jhp_003720 95% 0.647 PF00483 C2_S153 - (39)6 - / 4 / 1 2
137jhp_129038 99% 0.524 PF07977 C4_S126 - (1)19 - / - / 18 2
138jhp_090820 44% 0.551 PF01676 C4_S112 - (9)4 - / 5 / 2 2
139jhp_142920 62% 0.594 PF00107 C1_S146 - (34)6 8 / - / - 2
140jhp_133445 48% 0.586 PF00160 C4_S1149 - (2)5 - / 18 / 4 2
141jhp_015034 51% 0.587 PF00490 C6_S130 - (18)14 - / - / 14 2
142jhp_132319 41% 0.572 PF07521 C1_S118 - (0)3 4 / - / 2 2
143jhp_132220 37% 0.527 PF00398 C1_S119 - (12)3 - / 2 / 3 2
144jhp_111820 71% 0.546 PF03143 C1_S148 - (0)3 - / 8 / 1 2
145jhp_077820 97% 0.463 PF02719 C1_S167 - (61)7 14 / 1 / 2 2
146jhp_030425 45% 0.578 PF00625 C4_S145 - (32)6 - / 5 / 2 2
147jhp_101521 91% 0.583 PF01041 C1_S150 - (29)6 - / - / 7 2
148jhp_135425 49% 0.471 PF00034 C5_S146 - (35)6 15 / - / - 2
149jhp_134512 44% 0.482 PF10396 C4_S16 - (0)4 - / 5 / 1 2
150jhp_042825 41% 0.603 PF00749 C5_S122 - (18)3 - / 2 / 6 2

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