Atome 2 : Comparative Modeling, Annotation & Complexes Prediction of Study :
UP000002438 (Pseudomonas aeruginosa - Jan 2016)

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]
100PA003671 61% 0.594 PF00291 C2_S1104 - (98)14 6 / 14 / 37 9
101PA133741 84% 0.795 PF00710 C8_S129 - (29)14 - / - / 18 4
102PA092322 49% 0.575 PF11798 C3_S1330 - (291)14 3 / 6 / 20 7
103PA033036 100% 0.606 PF06026 C6_S139 - (16)14 - / - / 25 6
104PA467227 100% 0.612 PF01195 C2_S123 - (0)14 - / 1 / 9 6
105PA161036 100% 0.603 PF07977 C8_S132 - (3)14 - / - / 17 4
106PA357941 60% 0.515 PF00370 C3_S159 - (59)14 - / 3 / 17 4
107PA419256 58% 0.555 PF08402 C1_S152 - (0)14 - / 24 / 21 7
108PA179630 100% 0.571 PF02882 C7_S150 - (38)14 - / 15 / 10 4
109PA189921 65% 0.566 PF12680 C3_S155 - (1)14 - / - / 17 5
110PA311725 100% 0.546 PF02774 C4_S138 - (15)13 3 / 6 / 6 5
111PA298747 48% 0.561 PF00005 C1_S133 - (0)13 - / 20 / 9 6
112PA346666 46% 0.573 PF00271 C8_S161 - (0)13 7 / 19 / 26 6
113PA524327 100% 0.824 PF00490 C10_S128 - (18)13 - / - / 12 3
114PA386155 43% 0.565 PF00271 C6_S150 - (0)13 - / 16 / 27 6
115PA542631 71% 0.630 PF00731 C6_S135 - (25)13 - / 2 / 17 4
116PA499767 52% 0.322 PF00005 C2_S166 - (58)13 - / 40 / 10 6
117PA363643 100% 0.554 PF00793 C3_S146 - (36)13 - / - / 17 4
118PA374645 78% 0.548 PF02978 C7_S162 - (0)13 3 / 14 / 13 4
119PA533634 62% 0.527 PF00625 C4_S157 - (33)13 4 / 15 / 9 5
120PA078232 51% 0.507 PF00171 C3_S140 - (0)13 11 / 2 / 6 4
121PA316330 61% 0.653 PF02224 C2_S192 - (81)13 - / 16 / 8 6
122PA190021 98% 0.595 PF12680 C1_S150 - (1)12 - / 3 / 11 4
123PA234148 51% 0.500 PF00005 C2_S143 - (0)12 - / 12 / 14 5
124PA450660 35% 0.492 PF00005 C1_S149 - (0)12 - / 9 / 35 7
125PA344745 39% 0.499 PF00005 C1_S130 - (0)12 - / 7 / 18 6
126PA536646 37% 0.472 PF00005 C1_S135 - (0)12 - / 7 / 26 6
127PA503939 51% 0.572 PF01202 C1_S190 - (78)12 - / 19 / 10 7
128PA119520 100% 0.884 PF02274 C3_S117 - (12)12 - / - / 10 7
129PA200357 76% 0.577 PF00106 C1_S1119 - (81)12 41 / 4 / 6 7
130PA422253 39% 0.397 PF00005 C1_S164 - (64)12 - / - / 37 6
131PA481325 55% 0.488 PF00561 C3_S137 - (11)12 - / - / 14 0
132PA517239 100% 0.867 PF02729 C7_S146 - (36)12 - / 8 / 17 5
133PA522428 49% 0.540 PF00557 C2_S131 - (1)12 - / 3 / 6 1
134PA472228 41% 0.610 PF00155 C1_S137 - (28)12 - / 1 / 21 3
135PA271636 55% 0.556 PF00724 C3_S158 - (32)12 - / - / 28 1
136PA551624 58% 0.542 PF08543 C4_S152 - (26)12 - / 2 / 10 4
137PA531332 50% 0.559 PF00202 C1_S173 - (54)12 - / - / 12 0
138PA372333 58% 0.598 PF00724 C4_S185 - (41)12 1 / 1 / 10 1
139PA469620 42% 0.569 PF02776 C5_S176 - (33)12 9 / 2 / 8 3
140PA422369 42% 0.380 PF00005 C1_S163 - (63)12 - / 29 / 24 7
141PA148737 39% 0.516 PF00370 C1_S160 - (57)12 - / - / 15 4
142PA551432 44% 0.598 PF00905 C3_S146 - (0)12 - / - / 10 4
143PA093255 70% 0.565 PF00291 C4_S175 - (55)12 - / 2 / 36 6
144PA315529 100% 0.601 PF01041 C1_S193 - (0)12 1 / 6 / 7 5
145PA293431 99% 0.556 PF00561 C1_S137 - (0)12 - / 2 / 13 1
146PA280619 54% 0.428 PF14819 C5_S123 - (1)12 - / - / 17 3
147PA325446 50% 0.591 PF08402 C1_S132 - (0)12 - / 9 / 15 5
148PA368694 66% 0.647 PF05191 C2_S1143 - (130)12 59 / 30 / 2 5
149PA435851 60% 0.545 PF07670 C9_S166 - (0)12 5 / 27 / 10 8
150PA139349 50% 0.728 PF14306 C4_S186 - (76)12 - / 42 / 3 7

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