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]
100PA337531 34% 0.459 PF00005 C1_S127 - (0)10 - / 13 / 5 5
101PA230840 41% 0.488 PF00005 C1_S126 - (0)11 - / 4 / 20 6
102PA142512 38% 0.410 PF00005 10 - (0)? - / - / - 0
103PA124616 37% 0.349 PF00005 C2_S170 - (69)3 - / - / 3 2
104PA298747 48% 0.561 PF00005 C1_S133 - (0)13 - / 20 / 9 6
105PA107021 51% 0.513 PF00005 C1_S119 - (0)2 - / - / 2 2
106PA486222 41% 0.548 PF00005 C1_S143 - (0)4 - / 3 / 2 3
107PA450544 39% 0.444 PF00005 C1_S137 - (0)9 - / 6 / 21 6
108PA235039 47% 0.468 PF00005 C1_S127 - (0)7 - / 4 / 15 4
109PA422369 42% 0.380 PF00005 C1_S163 - (63)12 - / 29 / 24 7
110PA415841 35% 0.595 PF00005 C1_S133 - (0)11 - / - / 22 6
111PA490920 53% 0.522 PF00005 C1_S126 - (0)5 - / 4 / 4 4
112PA180727 38% 0.511 PF00005 C3_S124 - (0)8 - / - / 12 4
113PA089232 70% 0.581 PF00005 C1_S131 - (0)11 - / 11 / 11 6
114PA186122 42% ? PF00005 C1_S138 - (0)2 - / - / 2 1
115PA234148 51% 0.500 PF00005 C2_S143 - (0)12 - / 12 / 14 5
116PA344745 39% 0.499 PF00005 C1_S130 - (0)12 - / 7 / 18 6
117PA446121 66% 0.582 PF00005 C1_S119 - (0)4 - / 7 / - 2
118PA285740 45% 0.487 PF00005 C1_S126 - (0)10 - / 3 / 18 5
119PA125621 55% 0.609 PF00005 C1_S110 - (0)? - / 2 / 1 0
120PA240820 37% 0.384 PF00005 18 - (0)? - / - / - 0
121PA445643 39% 0.544 PF00005 C1_S132 - (0)10 - / 5 / 20 5
122PA536646 37% 0.472 PF00005 C1_S135 - (0)12 - / 7 / 26 6
123PA007324 39% 0.451 PF00005 C1_S122 - (0)2 - / - / 4 1
124PA49700 36% 0.281 PF00005 1 - (1)? - / - / - 0
125PA36051 54% -0.062 PF00005 0 - (0)? - / - / - 0
126PA187621 34% 0.394 PF00005 C3_S125 - (0)4 - / 2 / 4 2
127PA322866 48% 0.357 PF00005 C3_S160 - (60)8 - / 38 / 12 5
128PA550343 48% 0.517 PF00005 C1_S127 - (0)9 - / 7 / 17 6
129PA422253 39% 0.397 PF00005 C1_S164 - (64)12 - / - / 37 6
130PA406425 36% 0.556 PF00005 C1_S125 - (0)5 - / 2 / 3 2
131PA111346 46% 0.488 PF00005 C2_S150 - (50)9 - / 26 / 7 5
132PA414371 42% 0.371 PF00005 C1_S172 - (72)9 - / 21 / 33 6
133PA291236 39% 0.554 PF00005 C1_S131 - (0)9 - / - / 20 4
134PA470626 43% 0.544 PF00005 C1_S119 - (0)6 - / - / 7 3
135PA176914 20% 0.232 PF00005 3 - (0)? - / - / - 0
136PA44658 23% 0.427 PF00005 8 - (7)? - / - / - 0
137PA164713 42% 0.356 PF00005 3 - (0)? - / - / - 0
138PA086028 43% 0.416 PF00005 C2_S156 - (56)4 - / 8 / - 2
139PA423418 62% 0.538 PF00005 C2_S15 - (0)1 - / - / 1 0
140PA02160 47% -0.006 PF00005 1 - (0)? - / - / - 0
141PA499767 52% 0.322 PF00005 C2_S166 - (58)13 - / 40 / 10 6
142PA28632 42% 0.685 PF00005 0 - (0)? - / - / - 0
143PA301919 40% 0.517 PF00005 C1_S18 - (0)2 - / 1 / 1 1
144PA50225 33% 0.349 PF00010 3 - (0)? - / - / - 0
145PA312615 29% 0.213 PF00011 3 - (0)? - / - / - 0
146PA06440 21% 0.275 PF00011 0 - (0)? - / - / - 0
147PA33050 35% 0.950 PF00012 0 - (0)? - / - / - 0
148PA440816 39% 0.560 PF00012 28 - (0)0 - / - / - 0
149PA44819 62% 0.678 PF00012 C2_S129 - (0)4 - / 3 / - 2
150PA48738 41% 0.433 PF00012 C1_S133 - (0)3 - / 3 / - 2

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