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]
100PA210447 39% 0.569 PF00291 C3_S169 - (56)11 - / 4 / 22 6
101PA550343 48% 0.517 PF00005 C1_S127 - (0)9 - / 7 / 17 6
102PA346666 46% 0.573 PF00271 C8_S161 - (0)13 7 / 19 / 26 6
103PA045537 46% 0.632 PF00271 C4_S157 - (0)10 - / 5 / 12 6
104PA414371 42% 0.371 PF00005 C1_S172 - (72)9 - / 21 / 33 6
105PA466926 55% 0.497 PF00288 C1_S155 - (42)11 - / 5 / 7 6
106PA351435 42% 0.527 PF08402 C1_S130 - (0)11 - / 8 / 15 6
107PA089232 70% 0.581 PF00005 C1_S131 - (0)11 - / 11 / 11 6
108PA499767 52% 0.322 PF00005 C2_S166 - (58)13 - / 40 / 10 6
109PA090323 73% 0.565 PF07973 C1_S123 - (21)9 1 / 5 / 5 6
110PA033036 100% 0.606 PF06026 C6_S139 - (16)14 - / - / 25 6
111PA239043 48% 0.549 PF08402 C3_S130 - (0)11 - / 18 / 11 6
112PA450544 39% 0.444 PF00005 C1_S137 - (0)9 - / 6 / 21 6
113PA370031 62% 0.549 PF01336 C5_S157 - (40)16 1 / 9 / 7 6
114PA093255 70% 0.565 PF00291 C4_S175 - (55)12 - / 2 / 36 6
115PA230840 41% 0.488 PF00005 C1_S126 - (0)11 - / 4 / 20 6
116PA353744 53% 0.580 PF02729 C9_S150 - (40)15 - / 8 / 17 6
117PA507432 63% 0.622 PF08402 C1_S124 - (0)9 - / 10 / 13 5
118PA262336 78% 0.823 PF00180 C6_S155 - (51)16 2 / 13 / 22 5
119PA305055 57% 0.557 PF01180 C1_S1185 - (115)10 51 / 5 / 5 5
120PA311725 100% 0.546 PF02774 C4_S138 - (15)13 3 / 6 / 6 5
121PA026639 74% 0.642 PF00202 C1_S164 - (41)11 - / 2 / 15 5
122PA445643 39% 0.544 PF00005 C1_S132 - (0)10 - / 5 / 20 5
123PA179420 100% 0.552 PF03950 C2_S126 - (22)8 - / 10 / 1 5
124PA502528 56% 0.515 PF01053 C1_S123 - (19)11 - / 1 / 10 5
125PA399923 100% 0.488 PF00768 C4_S130 - (0)9 - / - / 10 5
126PA375923 43% 0.628 PF01380 C4_S118 - (15)10 - / - / 9 5
127PA292637 72% 0.575 PF00005 C1_S143 - (0)10 - / 15 / 13 5
128PA441040 57% 0.628 PF01820 C1_S194 - (69)12 - / 12 / 15 5
129PA189921 65% 0.566 PF12680 C3_S155 - (1)14 - / - / 17 5
130PA111346 46% 0.488 PF00005 C2_S150 - (50)9 - / 26 / 7 5
131PA058022 69% 0.579 PF00814 C2_S127 - (25)8 - / 12 / 2 5
132PA363555 76% 0.620 PF03952 C1_S138 - (30)10 - / 3 / 26 5
133PA229437 45% 0.524 PF08402 C1_S135 - (0)11 - / - / 16 5
134PA285740 45% 0.487 PF00005 C1_S126 - (0)10 - / 3 / 18 5
135PA002545 70% 0.587 PF08501 C7_S169 - (64)10 8 / 8 / 20 5
136PA310728 46% 0.577 PF01053 C1_S123 - (18)8 - / - / 10 5
137PA028038 52% 0.546 PF08402 C1_S135 - (0)10 - / 9 / 12 5
138PA060339 47% 0.487 PF08402 C1_S145 - (0)11 - / 6 / 13 5
139PA055527 48% 0.632 PF01116 C6_S118 - (15)8 - / - / 16 5
140PA528873 78% 0.642 PF00543 C4_S181 - (0)9 - / 28 / 39 5
141PA325446 50% 0.591 PF08402 C1_S132 - (0)12 - / 9 / 15 5
142PA491321 55% 0.563 PF13458 C1_S130 - (0)11 - / - / 8 5
143PA030239 51% 0.483 PF08402 C1_S138 - (0)10 - / 6 / 13 5
144PA322866 48% 0.357 PF00005 C3_S160 - (60)8 - / 38 / 12 5
145PA101331 73% 0.488 PF01259 C2_S155 - (42)11 - / 15 / 12 5
146PA234148 51% 0.500 PF00005 C2_S143 - (0)12 - / 12 / 14 5
147PA032637 43% 0.553 PF08402 C2_S129 - (0)10 - / 11 / 6 5
148PA395731 39% 0.583 PF00106 C1_S1133 - (90)8 2 / 3 / 11 5
149PA475929 100% 0.566 PF01113 C2_S145 - (27)8 14 / 5 / 1 5
150PA315529 100% 0.601 PF01041 C1_S193 - (0)12 1 / 6 / 7 5

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