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]
50PA32634 100% 0.565 PF04381 3 - (0)? - / - / - 0
51PA272117 100% 0.310 PF12681 4 - (0)? - / - / - 0
52PA279418 100% 0.505 PF02973 56 - (0)? - / - / - 0
53PA078520 100% 0.624 PF02525 C1_S1198 - (97)2 9 / - / - 1
54PA190217 100% 0.787 PF00857 C5_S124 - (0)4 - / 3 / - 2
55PA385921 100% 0.616 PF02230 C1_S127 - (9)8 - / - / 5 1
56PA36966 100% 0.401 -0 - (0)? - / - / - 0
57PA183619 100% 0.554 PF00440 19 - (0)? - / - / - 0
58PA001982 100% 0.732 PF01327 C5_S1109 - (26)20 - / 25 / 44 15
59PA286225 100% 0.484 PF00561 C1_S124 - (0)11 - / - / 11 1
60PA313316 100% 0.615 PF00440 25 - (0)? - / - / - 0
61PA404357 100% 0.594 PF00348 C1_S176 - (62)20 - / 2 / 40 7
62PA037220 100% 0.560 PF05193 8 - (0)? - / - / - 0
63PA175717 100% 0.702 PF00702 C2_S110 - (6)1 - / - / 1 1
64PA285120 100% 0.624 PF09285 1 - (0)? - / - / - 0
65PA20213 100% 0.604 PF08273 0 - (0)? - / - / - 0
66PA024737 100% 0.824 PF01494 C1_S1105 - (94)6 36 / 1 / 1 4
67PA333340 100% 0.577 PF08541 C2_S151 - (30)15 - / 7 / 13 2
68PA067219 100% 0.476 PF01126 C4_S119 - (2)3 7 / - / - 1
69PA311725 100% 0.546 PF02774 C4_S138 - (15)13 3 / 6 / 6 5
70PA099921 100% 0.522 PF08541 C1_S131 - (18)5 - / 6 / 2 2
71PA333814 100% 0.677 PF10262 0 - (0)? - / - / - 0
72PA13079 100% 0.519 PF01380 6 - (6)? - / - / - 0
73PA511218 100% 0.293 PF00657 C2_S18 - (0)2 - / - / 2 0
74PA409829 100% 0.609 PF00106 C1_S1119 - (86)8 6 / 6 / 2 3
75PA537320 100% 0.536 PF00171 30 - (0)1 - / - / - 0
76PA487220 100% 0.642 PF00463 23 - (15)? - / - / - 0
77PA08457 100% 0.483 PF04734 9 - (0)3 - / - / - 0
78PA175620 100% 0.477 PF01507 8 - (4)? - / - / - 0
79PA532220 100% 0.897 PF00408 C1_S117 - (15)11 - / 3 / 8 7
80PA306119 100% 0.606 PF00233 C5_S16 - (0)2 - / 4 / 1 1
81PA273920 100% 0.538 PF01588 0 - (0)? - / - / - 0
82PA29476 100% 0.650 PF07311 8 - (0)2 - / - / - 0
83PA26158 100% 0.667 PF01580 C3_S16 - (6)? - / 1 / - 0
84PA413731 100% 0.253 PF00267 C9_S1100 - (0)2 - / - / 4 0
85PA183517 100% 0.553 PF03061 3 - (0)? - / - / - 0
86PA009115 100% 0.384 PF00959 8 - (0)1 - / - / - 0
87PA300421 100% 0.622 PF01048 C3_S129 - (11)2 - / - / 2 0
88PA289020 100% 0.430 PF00378 0 - (0)? - / - / - 0
89PA396720 100% 0.587 PF00042 C3_S133 - (0)1 2 / - / - 1
90PA467623 100% 0.547 PF00484 C6_S18 - (0)3 - / - / 1 1
91PA378713 100% 0.610 PF01551 2 - (0)? - / - / - 0
92PA471520 100% 0.668 PF00155 C1_S140 - (29)4 - / - / 2 2
93PA494443 100% 0.644 PF01423 C4_S132 - (0)14 - / - / 15 3
94PA435915 100% 0.434 PF04023 7 - (1)? - / - / - 0
95PA051937 100% 0.807 PF13442 C3_S160 - (2)8 26 / 9 / - 2
96PA348411 100% 0.480 PF00062 0 - (0)? - / - / - 0
97PA441820 100% 0.594 PF00905 C1_S125 - (0)7 4 / 2 / 2 3
98PA343914 100% 0.452 PF02152 18 - (2)? - / - / - 0
99PA112920 100% 0.529 PF12681 C3_S154 - (0)4 - / - / 4 2
100PA120618 100% 0.285 PF10604 20 - (0)? - / - / - 0

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