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]
50PA001982 100% 0.732 PF01327 C5_S1109 - (26)20 - / 25 / 44 15
51PA397760 55% 0.620 PF00202 C1_S1122 - (55)20 - / - / 57 9
52PA371752 52% 0.599 PF00254 C3_S1111 - (0)20 - / 28 / 8 12
53PA313993 73% 0.688 PF00155 C1_S1124 - (94)20 15 / 17 / 48 12
54PA087095 47% 0.605 PF00155 C1_S1151 - (112)20 15 / 22 / 59 14
55PA112550 48% 0.550 PF02146 C3_S1157 - (42)20 13 / 21 / 19 7
56PA042051 41% 0.529 PF00202 C1_S1106 - (63)20 - / 6 / 42 8
57PA365253 57% 0.545 PF01255 C9_S1101 - (28)20 - / 29 / 20 14
58PA473098 56% 0.628 PF02569 C6_S1262 - (191)20 7 / 37 / 30 23
59PA326273 49% 0.583 PF00254 C5_S1119 - (0)19 - / 30 / 20 13
60PA364535 100% 0.511 PF07977 C2_S126 - (1)19 - / - / 17 1
61PA000260 100% 0.644 PF02768 C5_S181 - (0)19 1 / 22 / 34 9
62PA055260 74% 0.614 PF00162 C9_S183 - (72)19 - / 23 / 20 9
63PA380764 79% 0.486 PF00334 C9_S148 - (45)19 - / 22 / 24 10
64PA165426 40% 0.553 PF00155 C1_S158 - (30)19 7 / 2 / 14 4
65PA416782 46% 0.571 PF00248 C3_S1182 - (103)19 51 / 8 / 12 3
66PA438938 45% 0.561 PF00106 C1_S192 - (64)19 9 / 4 / 5 5
67PA493842 70% 0.605 PF00709 C5_S170 - (53)18 - / 33 / 9 7
68PA322334 50% 0.635 PF02525 C1_S193 - (57)18 2 / 7 / 13 3
69PA119743 36% 0.526 PF02146 C4_S1154 - (38)18 5 / 5 / 9 4
70PA456938 52% 0.627 PF00348 C1_S152 - (29)18 - / - / 26 10
71PA300522 50% 0.532 PF00933 C6_S137 - (16)18 - / - / 16 7
72PA308844 50% 0.530 PF01513 C6_S155 - (43)18 - / 11 / 16 5
73PA065639 49% 0.674 PF01230 C5_S179 - (1)18 - / 13 / 18 10
74PA516437 100% 0.457 PF00908 C6_S183 - (38)18 - / 3 / 27 9
75PA127931 50% 0.540 PF02277 C7_S163 - (38)17 - / - / 16 7
76PA158444 71% 0.588 PF13085 C2_S175 - (0)17 - / - / 24 0
77PA257073 100% 0.669 PF07828 C17_S1118 - (0)17 - / 1 / 54 9
78PA238524 100% 0.563 PF01804 C3_S142 - (0)17 - / 2 / 14 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
81PA250735 75% 0.530 PF12391 C9_S129 - (25)16 - / - / 18 11
82PA541583 73% 0.595 PF00464 C1_S1108 - (54)16 - / 2 / 58 4
83PA370031 62% 0.549 PF01336 C5_S157 - (40)16 1 / 9 / 7 6
84PA460274 75% 0.548 PF00464 C1_S198 - (44)16 - / 2 / 52 4
85PA511139 58% 0.504 PF00903 C1_S145 - (0)16 - / - / 32 6
86PA284080 50% 0.573 PF00271 C3_S1115 - (0)16 16 / 20 / 30 5
87PA262336 78% 0.823 PF00180 C6_S155 - (51)16 2 / 13 / 22 5
88PA333340 100% 0.577 PF08541 C2_S151 - (30)15 - / 7 / 13 2
89PA311841 65% 0.614 PF00180 C8_S154 - (45)15 - / 9 / 24 4
90PA353744 53% 0.580 PF02729 C9_S150 - (40)15 - / 8 / 17 6
91PA493037 40% 0.445 PF01168 C4_S163 - (57)15 - / 6 / 16 4
92PA395066 45% 0.537 PF00271 C4_S179 - (0)15 3 / 18 / 34 6
93PA555241 57% 0.598 PF12804 C1_S148 - (32)15 3 / 23 / 6 6
94PA494443 100% 0.644 PF01423 C4_S132 - (0)14 - / - / 15 3
95PA133741 84% 0.795 PF00710 C8_S129 - (29)14 - / - / 18 4
96PA422827 54% 0.534 PF13193 C5_S159 - (24)14 1 / 11 / 3 7
97PA274422 66% 0.521 PF07973 C1_S126 - (11)14 4 / 12 / 3 7
98PA179630 100% 0.571 PF02882 C7_S150 - (38)14 - / 15 / 10 4
99PA092322 49% 0.575 PF11798 C3_S1330 - (291)14 3 / 6 / 20 7
100PA161036 100% 0.603 PF07977 C8_S132 - (3)14 - / - / 17 4

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