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]
50PA380764 79% 0.486 PF00334 C9_S148 - (45)19 - / 22 / 24 10
51PA496763 76% 0.506 PF01751 C2_S166 - (0)20 6 / 24 / 23 20
52PA101062 100% 0.651 PF00701 C7_S1101 - (97)11 - / - / 14 2
53PA472861 59% 0.696 PF01288 C7_S1101 - (41)20 2 / 23 / 32 8
54PA455760 67% 0.630 PF02401 C9_S1117 - (0)20 - / 3 / 72 11
55PA065260 100% 0.594 PF00325 C2_S199 - (0)4 - / 13 / 29 2
56PA397760 55% 0.620 PF00202 C1_S1122 - (55)20 - / - / 57 9
57PA055260 74% 0.614 PF00162 C9_S183 - (72)19 - / 23 / 20 9
58PA450660 35% 0.492 PF00005 C1_S149 - (0)12 - / 9 / 35 7
59PA000260 100% 0.644 PF02768 C5_S181 - (0)19 1 / 22 / 34 9
60PA035059 48% 0.527 PF00186 C3_S1121 - (74)20 14 / 28 / 15 15
61PA075059 60% 0.572 PF03167 C8_S188 - (0)20 2 / 9 / 31 12
62PA133458 62% 0.491 PF00724 C6_S197 - (41)8 23 / 10 / 5 3
63PA040257 39% 0.627 PF02729 C6_S161 - (47)20 - / 24 / 13 8
64PA404357 100% 0.594 PF00348 C1_S176 - (62)20 - / 2 / 40 7
65PA473257 51% 0.562 PF00342 C3_S140 - (39)20 - / - / 39 11
66PA200357 76% 0.577 PF00106 C1_S1119 - (81)12 41 / 4 / 6 7
67PA369256 45% 0.625 PF00691 C7_S156 - (0)9 - / - / 30 4
68PA419256 58% 0.555 PF08402 C1_S152 - (0)14 - / 24 / 21 7
69PA427756 89% 0.605 PF03143 C2_S161 - (0)10 11 / 27 / 10 5
70PA386155 43% 0.565 PF00271 C6_S150 - (0)13 - / 16 / 27 6
71PA305055 57% 0.557 PF01180 C1_S1185 - (115)10 51 / 5 / 5 5
72PA363555 76% 0.620 PF03952 C1_S138 - (30)10 - / 3 / 26 5
73PA093255 70% 0.565 PF00291 C4_S175 - (55)12 - / 2 / 36 6
74PA296254 100% 0.561 PF01712 C2_S184 - (46)20 3 / 36 / 12 21
75PA365253 57% 0.545 PF01255 C9_S1101 - (28)20 - / 29 / 20 14
76PA140053 53% 0.486 PF02786 C2_S155 - (23)20 - / 16 / 24 16
77PA422253 39% 0.397 PF00005 C1_S164 - (64)12 - / - / 37 6
78PA316853 76% 0.532 PF00521 C3_S192 - (0)7 - / 4 / 39 1
79PA377452 49% 0.579 PF00850 C6_S136 - (0)20 - / 4 / 24 6
80PA371752 52% 0.599 PF00254 C3_S1111 - (0)20 - / 28 / 8 12
81PA042051 41% 0.529 PF00202 C1_S1106 - (63)20 - / 6 / 42 8
82PA435851 60% 0.545 PF07670 C9_S166 - (0)12 5 / 27 / 10 8
83PA112550 48% 0.550 PF02146 C3_S1157 - (42)20 13 / 21 / 19 7
84PA543650 56% 0.530 PF02786 C1_S166 - (31)20 - / 15 / 27 17
85PA289150 62% 0.487 PF02786 C2_S159 - (26)20 1 / 19 / 22 18
86PA382350 54% 0.593 PF01702 C4_S145 - (17)20 - / 10 / 23 21
87PA300149 41% 0.562 PF00044 C8_S143 - (36)6 12 / 19 / 3 2
88PA377049 100% 0.602 PF00478 C2_S173 - (50)20 - / 17 / 24 3
89PA177749 41% 0.533 PF00691 C4_S159 - (0)8 - / - / 31 4
90PA139349 50% 0.728 PF14306 C4_S186 - (76)12 - / 42 / 3 7
91PA340648 40% 0.384 PF00005 C2_S149 - (0)7 - / 12 / 21 4
92PA158348 70% 0.577 PF02910 C1_S156 - (48)6 27 / 1 / 3 4
93PA509448 40% 0.565 PF08402 C1_S133 - (0)11 - / 3 / 27 6
94PA234148 51% 0.500 PF00005 C2_S143 - (0)12 - / 12 / 14 5
95PA298747 48% 0.561 PF00005 C1_S133 - (0)13 - / 20 / 9 6
96PA482947 53% 0.571 PF02852 C1_S157 - (52)4 36 / 1 / 1 2
97PA379847 55% 0.651 PF00155 C1_S174 - (46)20 - / 5 / 28 6
98PA210447 39% 0.569 PF00291 C3_S169 - (56)11 - / 4 / 22 6
99PA296547 100% 0.534 PF02801 C3_S154 - (5)20 - / 7 / 16 9
100PA037347 68% 0.695 PF02978 C6_S164 - (0)10 5 / 17 / 5 2

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