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]
100PA001982 100% 0.732 PF01327 C5_S1109 - (26)20 - / 25 / 44 15
101PA549022 79% 0.451 PF00034 C1_S1109 - (0)4 9 / - / 8 2
102PA428073 45% 0.549 PF08279 C6_S1109 - (93)20 13 / 32 / 13 13
103PA525418 53% 0.562 PF00254 C6_S1109 - (0)8 - / 7 / 1 2
104PA541583 73% 0.595 PF00464 C1_S1108 - (54)16 - / 2 / 58 4
105PA532171 70% 0.462 PF00692 C4_S1108 - (90)11 - / - / 35 4
106PA440668 100% 0.532 PF03331 C8_S1107 - (0)20 1 / 39 / 20 21
107PA379521 33% 0.579 PF00248 C7_S1107 - (89)2 - / - / 2 0
108PA552420 42% 0.594 PF00106 C1_S1107 - (75)4 - / - / 1 0
109PA225717 39% 0.495 PF00034 C2_S1106 - (0)4 11 / - / - 2
110PA042051 41% 0.529 PF00202 C1_S1106 - (63)20 - / 6 / 42 8
111PA024737 100% 0.824 PF01494 C1_S1105 - (94)6 36 / 1 / 1 4
112PA293267 55% 0.562 PF00724 C6_S1104 - (46)12 29 / 11 / 7 5
113PA003671 61% 0.594 PF00291 C2_S1104 - (98)14 6 / 14 / 37 9
114PA476189 81% 0.604 PF00012 C4_S1104 - (0)20 11 / 55 / 12 9
115PA380917 80% 0.536 PF00111 C7_S1104 - (102)2 - / - / 13 1
116PA014018 69% 0.622 PF07992 C2_S1104 - (93)2 7 / - / - 1
117PA501346 63% 0.547 PF01063 C7_S1103 - (89)16 - / 4 / 35 2
118PA358420 60% 0.485 PF02737 C1_S1103 - (74)4 8 / 1 / 1 1
119PA327732 36% 0.550 PF00106 C2_S1103 - (78)7 25 / 3 / 1 3
120PA112221 62% 0.534 PF01327 C6_S1102 - (24)7 - / - / 8 2
121PA381088 42% 0.529 PF00012 C5_S1102 - (0)20 4 / 56 / 15 9
122PA303832 99% ? PF00267 C7_S1102 - (0)1 - / - / 4 0
123PA365253 57% 0.545 PF01255 C9_S1101 - (28)20 - / 29 / 20 14
124PA472861 59% 0.696 PF01288 C7_S1101 - (41)20 2 / 23 / 32 8
125PA269115 33% 0.445 PF07992 101 - (57)? - / - / - 0
126PA27820 46% 0.005 PF00098 101 - (0)? - / - / - 0
127PA036365 61% 0.586 PF01467 C2_S1101 - (83)20 4 / 20 / 32 9
128PA101062 100% 0.651 PF00701 C7_S1101 - (97)11 - / - / 14 2
129PA336191 100% 0.751 PF00577 C9_S1100 - (0)20 - / - / 83 11
130PA413731 100% 0.253 PF00267 C9_S1100 - (0)2 - / - / 4 0
131PA417929 51% 0.210 PF00267 C8_S199 - (0)1 - / - / 7 0
132PA065260 100% 0.594 PF00325 C2_S199 - (0)4 - / 13 / 29 2
133PA411080 100% 0.579 PF00144 C1_S199 - (0)20 - / - / 58 32
134PA460274 75% 0.548 PF00464 C1_S198 - (44)16 - / 2 / 52 4
135PA133458 62% 0.491 PF00724 C6_S197 - (41)8 23 / 10 / 5 3
136PA330620 40% 0.424 PF13532 C4_S197 - (17)4 - / - / 8 1
137PA209920 36% 0.588 PF00106 97 - (71)? - / - / - 0
138PA419014 100% 0.597 PF01593 C1_S196 - (61)2 1 / - / 1 1
139PA182822 37% 0.548 PF00106 C1_S196 - (63)5 1 / - / 1 1
140PA102530 100% 0.209 PF00267 C11_S196 - (0)2 - / - / 4 0
141PA408922 44% 0.589 PF00106 C1_S195 - (49)7 - / - / 5 1
142PA441040 57% 0.628 PF01820 C1_S194 - (69)12 - / 12 / 15 5
143PA075530 100% 0.202 PF00267 C7_S194 - (0)1 - / - / 4 0
144PA322334 50% 0.635 PF02525 C1_S193 - (57)18 2 / 7 / 13 3
145PA255530 33% 0.493 PF13193 C4_S193 - (57)10 - / 17 / 6 5
146PA461527 43% 0.581 PF00175 C3_S193 - (62)7 23 / 4 / 2 3
147PA315529 100% 0.601 PF01041 C1_S193 - (0)12 1 / 6 / 7 5
148PA339727 100% 0.592 PF00175 C4_S193 - (64)6 22 / 3 / 3 1
149PA420220 100% 0.630 PF01180 C2_S192 - (55)2 4 / 6 / - 1
150PA19439 38% 0.485 PF00583 92 - (26)? - / - / - 0

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