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]
50PA406833 41% 0.565 PF01370 C1_S1120 - (108)7 21 / 3 / 2 3
51PA310627 44% 0.555 PF00106 C1_S1120 - (84)6 7 / 2 / 3 2
52PA211332 100% 0.226 PF00267 C6_S1120 - (0)2 - / - / 4 0
53PA200357 76% 0.577 PF00106 C1_S1119 - (81)12 41 / 4 / 6 7
54PA326273 49% 0.583 PF00254 C5_S1119 - (0)19 - / 30 / 20 13
55PA457276 51% 0.533 PF00254 C4_S1119 - (0)20 - / 34 / 22 11
56PA409829 100% 0.609 PF00106 C1_S1119 - (86)8 6 / 6 / 2 3
57PA214466 46% 0.507 PF00343 C7_S1119 - (35)20 - / 13 / 49 33
58PA542125 100% 0.804 PF00107 C1_S1118 - (74)5 7 / - / 5 1
59PA248116 54% 0.496 PF13442 C4_S1118 - (56)5 - / 5 / 4 0
60PA257073 100% 0.669 PF07828 C17_S1118 - (0)17 - / 1 / 54 9
61PA084941 71% 0.627 PF07992 C1_S1117 - (102)7 35 / - / 4 3
62PA067517 24% 0.607 PF08281 117 - (0)? - / - / - 0
63PA133020 33% 0.533 PF00106 117 - (94)? - / - / - 0
64PA455760 67% 0.630 PF02401 C9_S1117 - (0)20 - / 3 / 72 11
65PA19680 44% 0.464 PF02198 117 - (0)? - / - / - 0
66PA024610 39% 0.344 PF07690 117 - (0)? - / - / - 0
67PA284080 50% 0.573 PF00271 C3_S1115 - (0)16 16 / 20 / 30 5
68PA443021 46% 0.452 PF13631 115 - (0)1 - / - / - 0
69PA15517 38% 0.258 PF02775 114 - (0)? - / - / - 0
70PA036214 100% 0.565 PF00037 114 - (0)? - / - / - 0
71PA481117 67% 0.442 PF03460 114 - (0)? - / - / - 0
72PA33918 30% 0.191 PF13237 114 - (0)? - / - / - 0
73PA362120 93% 0.603 PF00037 114 - (0)? - / - / - 0
74PA26415 46% 0.448 PF13237 114 - (0)? - / - / - 0
75PA34919 39% 0.449 PF02775 114 - (0)? - / - / - 0
76PA49505 42% 0.250 PF13237 114 - (0)? - / - / - 0
77PA387420 75% 0.396 PF03460 114 - (0)? - / - / - 0
78PA271520 68% 0.441 PF00037 114 - (0)? - / - / - 0
79PA22972 50% 0.403 PF00037 114 - (0)? - / - / - 0
80PA29996 16% 0.387 PF13183 114 - (0)? - / - / - 0
81PA11769 52% 0.369 PF13237 114 - (0)? - / - / - 0
82PA53532 38% 0.377 PF13085 114 - (0)? - / - / - 0
83PA41317 44% 0.400 PF02775 114 - (0)? - / - / - 0
84PA34901 59% 0.210 PF00037 114 - (0)? - / - / - 0
85PA26447 50% 0.455 PF00037 114 - (0)? - / - / - 0
86PA094439 59% 0.635 PF00551 C5_S1114 - (3)11 1 / 8 / 7 3
87PA308336 50% 0.453 PF01433 C3_S1114 - (27)20 - / 8 / 21 20
88PA53994 83% 0.429 PF13183 114 - (0)? - / - / - 0
89PA052418 99% 0.411 PF00115 C4_S1113 - (0)2 6 / - / - 1
90PA261644 72% 0.582 PF07992 C2_S1113 - (102)9 33 / - / 5 3
91PA168778 60% 0.524 PF05175 C1_S1113 - (93)20 5 / 53 / 16 5
92PA024027 100% ? PF00267 C5_S1112 - (0)2 - / - / 6 0
93PA351120 39% 0.562 PF00106 C1_S1112 - (90)2 4 / - / - 1
94PA179319 79% 0.590 PF00160 C5_S1112 - (0)3 - / 2 / 3 0
95PA371752 52% 0.599 PF00254 C3_S1111 - (0)20 - / 28 / 8 12
96PA244482 72% 0.604 PF00464 C1_S1110 - (56)16 - / 2 / 58 4
97PA414836 58% 0.559 PF00106 C1_S1110 - (64)6 9 / 4 / 4 2
98PA312833 61% 0.625 PF00106 C1_S1110 - (78)7 18 / 8 / - 3
99PA250818 47% 0.584 PF08515 C3_S1109 - (0)1 - / - / 1 0
100PA549022 79% 0.451 PF00034 C1_S1109 - (0)4 9 / - / 8 2

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