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]
50PA087095 47% 0.605 PF00155 C1_S1151 - (112)20 15 / 22 / 59 14
51PA473257 51% 0.562 PF00342 C3_S140 - (39)20 - / - / 39 11
52PA404357 100% 0.594 PF00348 C1_S176 - (62)20 - / 2 / 40 7
53PA049442 60% 0.620 PF02786 C1_S168 - (32)20 - / 18 / 22 16
54PA001982 100% 0.732 PF01327 C5_S1109 - (26)20 - / 25 / 44 15
55PA075059 60% 0.572 PF03167 C8_S188 - (0)20 2 / 9 / 31 12
56PA474867 52% 0.580 PF00121 C5_S151 - (43)20 - / - / 40 10
57PA042051 41% 0.529 PF00202 C1_S1106 - (63)20 - / 6 / 42 8
58PA336191 100% 0.751 PF00577 C9_S1100 - (0)20 - / - / 83 11
59PA055260 74% 0.614 PF00162 C9_S183 - (72)19 - / 23 / 20 9
60PA380764 79% 0.486 PF00334 C9_S148 - (45)19 - / 22 / 24 10
61PA416782 46% 0.571 PF00248 C3_S1182 - (103)19 51 / 8 / 12 3
62PA165426 40% 0.553 PF00155 C1_S158 - (30)19 7 / 2 / 14 4
63PA438938 45% 0.561 PF00106 C1_S192 - (64)19 9 / 4 / 5 5
64PA000260 100% 0.644 PF02768 C5_S181 - (0)19 1 / 22 / 34 9
65PA364535 100% 0.511 PF07977 C2_S126 - (1)19 - / - / 17 1
66PA326273 49% 0.583 PF00254 C5_S1119 - (0)19 - / 30 / 20 13
67PA308844 50% 0.530 PF01513 C6_S155 - (43)18 - / 11 / 16 5
68PA065639 49% 0.674 PF01230 C5_S179 - (1)18 - / 13 / 18 10
69PA322334 50% 0.635 PF02525 C1_S193 - (57)18 2 / 7 / 13 3
70PA119743 36% 0.526 PF02146 C4_S1154 - (38)18 5 / 5 / 9 4
71PA456938 52% 0.627 PF00348 C1_S152 - (29)18 - / - / 26 10
72PA516437 100% 0.457 PF00908 C6_S183 - (38)18 - / 3 / 27 9
73PA300522 50% 0.532 PF00933 C6_S137 - (16)18 - / - / 16 7
74PA493842 70% 0.605 PF00709 C5_S170 - (53)18 - / 33 / 9 7
75PA158444 71% 0.588 PF13085 C2_S175 - (0)17 - / - / 24 0
76PA257073 100% 0.669 PF07828 C17_S1118 - (0)17 - / 1 / 54 9
77PA238524 100% 0.563 PF01804 C3_S142 - (0)17 - / 2 / 14 7
78PA127931 50% 0.540 PF02277 C7_S163 - (38)17 - / - / 16 7
79PA501346 63% 0.547 PF01063 C7_S1103 - (89)16 - / 4 / 35 2
80PA244482 72% 0.604 PF00464 C1_S1110 - (56)16 - / 2 / 58 4
81PA460274 75% 0.548 PF00464 C1_S198 - (44)16 - / 2 / 52 4
82PA262336 78% 0.823 PF00180 C6_S155 - (51)16 2 / 13 / 22 5
83PA370031 62% 0.549 PF01336 C5_S157 - (40)16 1 / 9 / 7 6
84PA250735 75% 0.530 PF12391 C9_S129 - (25)16 - / - / 18 11
85PA541583 73% 0.595 PF00464 C1_S1108 - (54)16 - / 2 / 58 4
86PA284080 50% 0.573 PF00271 C3_S1115 - (0)16 16 / 20 / 30 5
87PA511139 58% 0.504 PF00903 C1_S145 - (0)16 - / - / 32 6
88PA555241 57% 0.598 PF12804 C1_S148 - (32)15 3 / 23 / 6 6
89PA493037 40% 0.445 PF01168 C4_S163 - (57)15 - / 6 / 16 4
90PA353744 53% 0.580 PF02729 C9_S150 - (40)15 - / 8 / 17 6
91PA311841 65% 0.614 PF00180 C8_S154 - (45)15 - / 9 / 24 4
92PA333340 100% 0.577 PF08541 C2_S151 - (30)15 - / 7 / 13 2
93PA395066 45% 0.537 PF00271 C4_S179 - (0)15 3 / 18 / 34 6
94PA179630 100% 0.571 PF02882 C7_S150 - (38)14 - / 15 / 10 4
95PA357941 60% 0.515 PF00370 C3_S159 - (59)14 - / 3 / 17 4
96PA003671 61% 0.594 PF00291 C2_S1104 - (98)14 6 / 14 / 37 9
97PA274422 66% 0.521 PF07973 C1_S126 - (11)14 4 / 12 / 3 7
98PA421021 64% 0.566 PF12680 C2_S159 - (1)14 - / - / 17 5
99PA358236 77% 0.761 PF00370 C4_S158 - (58)14 - / 2 / 19 4
100PA467227 100% 0.612 PF01195 C2_S123 - (0)14 - / 1 / 9 6

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