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_022826 98% 0.688 PF00210 C3_S111 - (0)4 - / - / 2 0
101jhp_040526 48% 0.536 PF13180 C2_S119 - (0)2 - / - / 13 1
102jhp_137326 49% 0.442 PF00587 C1_S126 - (24)6 - / 9 / 7 4
103jhp_078226 49% 0.559 PF08543 C1_S168 - (53)7 - / - / 7 0
104jhp_120126 41% 0.590 PF00591 C2_S131 - (1)9 - / 4 / 8 5
105jhp_148926 45% 0.573 PF03740 C10_S119 - (18)6 - / - / 10 3
106jhp_098026 40% 0.513 PF00275 C8_S136 - (21)7 2 / 2 / 6 4
107jhp_017025 50% 0.483 PF01336 C7_S138 - (24)12 - / 7 / 5 6
108jhp_107525 38% 0.490 PF01746 C4_S127 - (18)10 - / 10 / 11 5
109jhp_135425 49% 0.471 PF00034 C5_S146 - (35)6 15 / - / - 2
110jhp_086525 41% 0.418 PF01975 C10_S134 - (26)2 - / - / 2 0
111jhp_102325 50% 0.450 PF00106 C1_S150 - (38)4 9 / - / - 2
112jhp_030425 45% 0.578 PF00625 C4_S145 - (32)6 - / 5 / 2 2
113jhp_139025 48% 0.478 PF01195 C2_S122 - (0)12 - / 1 / 8 4
114jhp_143925 43% 0.600 PF00834 C3_S116 - (7)5 - / - / 4 2
115jhp_056425 98% 0.513 PF00719 C7_S16 - (6)2 - / - / 4 1
116jhp_112125 49% 0.437 PF04560 6 - (0)0 - / - / - 0
117jhp_016225 99% 0.662 PF01116 C5_S120 - (16)6 - / - / 15 4
118jhp_042825 41% 0.603 PF00749 C5_S122 - (18)3 - / 2 / 6 2
119jhp_109825 52% 0.579 PF08402 C1_S121 - (0)4 - / 3 / 2 2
120jhp_062125 39% 0.412 PF00317 C6_S130 - (30)5 - / 2 / 8 3
121jhp_116225 52% 0.396 PF07973 C3_S138 - (21)13 1 / 4 / 7 6
122jhp_056125 39% 0.589 PF05191 C1_S183 - (68)7 3 / 2 / 5 4
123jhp_073524 100% 0.455 PF00994 C5_S113 - (0)6 - / - / 5 2
124jhp_042724 39% 0.442 PF08402 C1_S139 - (0)5 - / - / 4 2
125jhp_035324 39% 0.337 PF00702 C3_S117 - (0)6 - / 6 / 2 3
126jhp_021024 61% 0.502 PF01641 C4_S113 - (0)4 - / - / 6 0
127jhp_071424 99% 0.626 PF00696 C1_S126 - (17)7 - / 3 / 4 3
128jhp_144024 30% 0.455 PF00316 C3_S129 - (25)2 - / - / 19 1
129jhp_102524 51% 0.659 PF01081 C1_S130 - (26)4 - / - / 5 2
130jhp_063824 53% 0.500 PF00108 C7_S117 - (8)5 - / 2 / 3 2
131jhp_046024 40% 0.553 PF01113 C3_S149 - (33)8 6 / 1 / 2 3
132jhp_027524 97% 0.567 PF00278 C2_S129 - (22)6 - / 2 / 7 2
133jhp_058524 37% 0.535 PF03446 C1_S120 - (16)3 4 / 1 / - 2
134jhp_115024 48% 0.549 PF13840 C2_S124 - (23)2 - / - / 5 1
135jhp_111224 99% 0.528 PF00194 C8_S123 - (2)9 - / - / 6 4
136jhp_112524 67% 0.699 PF03946 C4_S16 - (0)2 - / - / 3 1
137jhp_076424 98% 0.605 PF07992 C3_S197 - (84)6 9 / 3 / 1 2
138jhp_128924 98% 0.575 PF00132 C2_S159 - (24)10 - / 2 / 11 6
139jhp_076324 60% 0.753 PF00085 C1_S115 - (0)3 - / - / 3 0
140jhp_035824 98% 0.770 PF00072 21 - (0)2 - / - / - 0
141jhp_098123 42% 0.598 PF02401 C6_S142 - (0)20 - / 1 / 37 14
142jhp_049723 54% 0.512 PF07497 C4_S123 - (0)2 - / 2 / 21 0
143jhp_120023 50% 0.503 PF00218 C6_S119 - (5)11 - / 5 / 4 5
144jhp_072323 54% 0.476 PF07516 C3_S115 - (0)2 - / 1 / 3 1
145jhp_008323 98% 0.613 PF00698 C2_S115 - (11)8 - / - / 3 1
146jhp_108823 97% 0.595 PF00258 C4_S181 - (78)2 2 / 5 / - 1
147jhp_059323 47% 0.533 PF00275 C6_S120 - (13)6 - / 4 / 4 3
148jhp_046523 56% 0.572 PF10431 C5_S18 - (0)2 - / 4 / 1 1
149jhp_098423 36% 0.504 PF02826 C1_S162 - (45)2 4 / 2 / - 1
150jhp_104623 99% 0.611 PF01019 C1_S120 - (0)6 - / - / 2 0

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