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]
50PA112550 48% 0.550 PF02146 C3_S1157 - (42)20 13 / 21 / 19 7
51PA490727 100% 0.590 PF00106 C1_S143 - (33)4 13 / - / - 2
52PA300149 41% 0.562 PF00044 C8_S143 - (36)6 12 / 19 / 3 2
53PA319538 68% 0.511 PF00044 C4_S130 - (22)3 12 / 6 / 2 2
54PA238620 100% 0.527 PF13434 C6_S178 - (48)4 12 / - / 1 2
55PA476189 81% 0.604 PF00012 C4_S1104 - (0)20 11 / 55 / 12 9
56PA427756 89% 0.605 PF03143 C2_S161 - (0)10 11 / 27 / 10 5
57PA255240 76% 0.489 PF02771 C2_S165 - (54)8 11 / 13 / 5 4
58PA503839 59% 0.567 PF01202 C4_S159 - (55)6 11 / 8 / 11 2
59PA078232 51% 0.507 PF00171 C3_S140 - (0)13 11 / 2 / 6 4
60PA423625 76% 0.765 PF06628 C9_S120 - (4)4 11 / - / 2 1
61PA514724 61% 0.595 PF14815 C6_S136 - (0)5 11 / - / 1 0
62PA225717 39% 0.495 PF00034 C2_S1106 - (0)4 11 / - / - 2
63PA518844 39% 0.580 PF02737 C2_S140 - (38)4 10 / 14 / - 2
64PA389633 50% 0.540 PF02826 C1_S167 - (52)10 10 / 5 / 3 3
65PA296740 100% 0.668 PF00106 C1_S141 - (33)7 10 / 2 / 6 2
66PA477124 36% 0.559 PF01070 C2_S141 - (27)6 10 / 1 / 3 2
67PA031622 64% 0.595 PF02826 C1_S149 - (41)5 10 / 1 / - 2
68PA461330 81% 0.605 PF06628 C7_S119 - (4)4 10 / - / 2 1
69PA332435 38% 0.532 PF00106 C3_S144 - (36)5 9 / 12 / 1 2
70PA226333 50% 0.529 PF02826 C1_S165 - (51)10 9 / 7 / 3 3
71PA143027 100% 0.641 PF00196 C1_S129 - (0)7 9 / 6 / - 3
72PA438938 45% 0.561 PF00106 C1_S192 - (64)19 9 / 4 / 5 5
73PA414836 58% 0.559 PF00106 C1_S1110 - (64)6 9 / 4 / 4 2
74PA519223 48% 0.545 PF01293 C3_S141 - (37)5 9 / 4 / - 2
75PA469620 42% 0.569 PF02776 C5_S176 - (33)12 9 / 2 / 8 3
76PA549022 79% 0.451 PF00034 C1_S1109 - (0)4 9 / - / 8 2
77PA177919 38% 0.466 PF01568 C3_S155 - (0)3 9 / - / 2 1
78PA257928 72% 0.513 PF03301 C4_S117 - (0)3 9 / - / 1 1
79PA417016 59% 0.526 PF07992 C1_S161 - (48)4 9 / - / 1 1
80PA002320 75% 0.548 PF00107 C1_S151 - (27)4 9 / - / - 2
81PA516220 52% 0.629 PF04321 C1_S153 - (49)5 9 / - / - 3
82PA078520 100% 0.624 PF02525 C1_S1198 - (97)2 9 / - / - 1
83PA301445 86% 0.619 PF02737 C2_S135 - (35)7 8 / 11 / 6 2
84PA163130 43% 0.496 PF02771 C1_S169 - (56)7 8 / 10 / 1 3
85PA400639 100% 0.577 PF01467 C3_S177 - (44)20 8 / 9 / 15 5
86PA002545 70% 0.587 PF08501 C7_S169 - (64)10 8 / 8 / 20 5
87PA044732 86% 0.547 PF02771 C1_S168 - (49)6 8 / 7 / - 4
88PA297722 100% 0.644 PF02873 C4_S158 - (44)9 8 / 4 / 3 3
89PA117420 73% 0.557 PF01568 C1_S156 - (6)2 8 / 4 / - 1
90PA529624 57% 0.481 PF13361 C6_S136 - (0)2 8 / 3 / 3 1
91PA467811 43% 0.522 PF00583 C2_S174 - (49)4 8 / 3 / 1 2
92PA302519 32% 0.496 PF01266 C1_S160 - (37)3 8 / 3 / 1 1
93PA315819 99% 0.546 PF02894 C1_S154 - (0)6 8 / 1 / 3 3
94PA358420 60% 0.485 PF02737 C1_S1103 - (74)4 8 / 1 / 1 1
95PA494614 66% 0.541 PF08676 C1_S135 - (0)3 8 / - / 1 2
96PA295020 79% 0.541 PF12241 C4_S134 - (21)7 8 / - / 1 2
97PA299120 34% 0.416 PF02852 C1_S142 - (39)2 8 / - / - 1
98PA473098 56% 0.628 PF02569 C6_S1262 - (191)20 7 / 37 / 30 23
99PA346666 46% 0.573 PF00271 C8_S161 - (0)13 7 / 19 / 26 6
100PA162844 39% 0.543 PF02737 C2_S136 - (36)7 7 / 13 / 5 2

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