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]
50PA517239 100% 0.867 PF02729 C7_S146 - (36)12 - / 8 / 17 5
51PA151014 100% 0.489 PF01083 6 - (0)? - / - / - 0
52PA038115 100% 0.513 PF01680 18 - (5)? - / - / - 0
53PA510620 100% 0.629 PF01979 C1_S117 - (5)5 - / - / 6 2
54PA000260 100% 0.644 PF02768 C5_S181 - (0)19 1 / 22 / 34 9
55PA008619 100% 0.629 PF00515 C6_S16 - (0)? 2 / - / - 0
56PA336191 100% 0.751 PF00577 C9_S1100 - (0)20 - / - / 83 11
57PA334117 100% 0.666 PF01047 C1_S128 - (0)4 - / 3 / 3 0
58PA190217 100% 0.787 PF00857 C5_S124 - (0)4 - / 3 / - 2
59PA441220 100% 0.633 PF03033 C2_S125 - (13)5 - / 3 / 2 2
60PA44825 100% 0.492 PF02686 0 - (0)? - / - / - 0
61PA06227 100% 0.453 PF04984 0 - (0)? - / - / - 0
62PA388517 100% 0.749 PF00782 4 - (0)? - / - / - 0
63PA413515 100% 0.613 PF01047 27 - (0)? - / - / - 0
64PA30987 100% 0.435 PF00114 0 - (0)? - / - / - 0
65PA177219 100% 0.620 PF03737 C2_S126 - (0)2 - / - / 3 1
66PA161036 100% 0.603 PF07977 C8_S132 - (3)14 - / - / 17 4
67PA066620 100% 0.622 PF03702 C2_S134 - (21)2 - / 2 / 2 2
68PA352839 100% 0.603 PF00929 C1_S159 - (52)5 4 / 25 / 7 2
69PA364432 100% 0.628 PF00132 C3_S143 - (24)11 - / 2 / 15 6
70PA448321 100% 0.492 PF01425 C2_S118 - (0)3 - / - / 3 2
71PA440668 100% 0.532 PF03331 C8_S1107 - (0)20 1 / 39 / 20 21
72PA164843 100% 0.604 PF00107 C1_S156 - (41)8 21 / 4 / 2 2
73PA479421 100% 0.472 PF00583 C2_S164 - (14)8 - / 3 / 5 4
74PA22229 100% 0.632 PF07647 4 - (0)? - / - / - 0
75PA327914 100% 0.361 PF00267 2 - (0)? - / - / - 0
76PA542125 100% 0.804 PF00107 C1_S1118 - (74)5 7 / - / 5 1
77PA401720 100% 0.587 PF05368 26 - (18)? - / - / - 0
78PA030020 100% 0.657 PF01547 C1_S136 - (0)4 - / - / 5 2
79PA338511 100% 0.478 PF03869 C5_S136 - (0)2 - / - / 4 1
80PA492036 100% 0.623 PF02540 C6_S150 - (49)11 1 / 11 / 14 4
81PA354713 100% 0.566 PF05426 C7_S117 - (0)1 - / - / 1 1
82PA24128 100% 0.441 PF00572 1 - (0)? - / - / - 0
83PA017611 100% 0.615 PF02203 0 - (0)? - / - / - 0
84PA354413 100% 0.266 PF13372 C6_S119 - (0)4 - / - / 5 0
85PA536516 100% 0.584 PF01895 0 - (0)? - / - / - 0
86PA499220 100% 0.654 PF00248 33 - (25)? - / - / - 0
87PA19943 100% 0.491 -C6_S13 - (0)2 - / - / 2 1
88PA347517 100% 0.605 PF10613 C1_S140 - (0)1 - / - / 2 0
89PA53509 100% 0.575 PF00301 1 - (0)? - / - / - 0
90PA406717 100% 0.359 PF03922 C5_S145 - (0)2 - / - / 3 0
91PA042621 100% 0.501 PF00873 15 - (0)0 - / - / - 0
92PA042520 100% 0.574 PF00529 0 - (0)? - / - / - 0
93PA024737 100% 0.824 PF01494 C1_S1105 - (94)6 36 / 1 / 1 4
94PA463118 100% 0.573 PF01370 47 - (36)? - / - / - 0
95PA213811 100% 0.635 PF13298 C3_S116 - (0)2 - / 1 / 1 2
96PA37192 100% 0.553 PF05400 0 - (0)? - / - / - 0
97PA186520 100% 0.570 PF08774 C4_S137 - (0)2 - / 5 / 5 0
98PA354021 100% 0.684 PF03721 C2_S129 - (18)6 1 / 3 / 2 3
99PA029130 100% 0.353 PF00267 C5_S192 - (0)2 - / - / 3 0
100PA348411 100% 0.480 PF00062 0 - (0)? - / - / - 0

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