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]
50PA257073 100% 0.669 PF07828 C17_S1118 - (0)17 - / 1 / 54 9
51PA000260 100% 0.644 PF02768 C5_S181 - (0)19 1 / 22 / 34 9
52PA274030 100% 0.499 PF01409 C2_S118 - (13)11 2 / 7 / 6 9
53PA055260 74% 0.614 PF00162 C9_S183 - (72)19 - / 23 / 20 9
54PA516437 100% 0.457 PF00908 C6_S183 - (38)18 - / 3 / 27 9
55PA296547 100% 0.534 PF02801 C3_S154 - (5)20 - / 7 / 16 9
56PA036365 61% 0.586 PF01467 C2_S1101 - (83)20 4 / 20 / 32 9
57PA042051 41% 0.529 PF00202 C1_S1106 - (63)20 - / 6 / 42 8
58PA362784 100% 0.557 PF02542 C8_S191 - (72)20 - / - / 66 8
59PA040257 39% 0.627 PF02729 C6_S161 - (47)20 - / 24 / 13 8
60PA472861 59% 0.696 PF01288 C7_S1101 - (41)20 2 / 23 / 32 8
61PA065042 59% 0.604 PF00591 C11_S175 - (1)20 - / 13 / 30 8
62PA270965 71% 0.532 PF00291 C3_S188 - (59)20 - / 11 / 47 8
63PA435851 60% 0.545 PF07670 C9_S166 - (0)12 5 / 27 / 10 8
64PA119520 100% 0.884 PF02274 C3_S117 - (12)12 - / - / 10 7
65PA053039 40% 0.507 PF00202 C1_S171 - (35)9 - / 1 / 17 7
66PA419256 58% 0.555 PF08402 C1_S152 - (0)14 - / 24 / 21 7
67PA503939 51% 0.572 PF01202 C1_S190 - (78)12 - / 19 / 10 7
68PA200357 76% 0.577 PF00106 C1_S1119 - (81)12 41 / 4 / 6 7
69PA092322 49% 0.575 PF11798 C3_S1330 - (291)14 3 / 6 / 20 7
70PA404357 100% 0.594 PF00348 C1_S176 - (62)20 - / 2 / 40 7
71PA112550 48% 0.550 PF02146 C3_S1157 - (42)20 13 / 21 / 19 7
72PA532220 100% 0.897 PF00408 C1_S117 - (15)11 - / 3 / 8 7
73PA422827 54% 0.534 PF13193 C5_S159 - (24)14 1 / 11 / 3 7
74PA450660 35% 0.492 PF00005 C1_S149 - (0)12 - / 9 / 35 7
75PA127931 50% 0.540 PF02277 C7_S163 - (38)17 - / - / 16 7
76PA300522 50% 0.532 PF00933 C6_S137 - (16)18 - / - / 16 7
77PA274422 66% 0.521 PF07973 C1_S126 - (11)14 4 / 12 / 3 7
78PA114830 99% 0.575 PF09102 C8_S130 - (1)9 - / 4 / 7 7
79PA422369 42% 0.380 PF00005 C1_S163 - (63)12 - / 29 / 24 7
80PA493842 70% 0.605 PF00709 C5_S170 - (53)18 - / 33 / 9 7
81PA003528 43% 0.585 PF00290 C1_S159 - (32)9 - / 1 / 8 7
82PA238524 100% 0.563 PF01804 C3_S142 - (0)17 - / 2 / 14 7
83PA139349 50% 0.728 PF14306 C4_S186 - (76)12 - / 42 / 3 7
84PA239043 48% 0.549 PF08402 C3_S130 - (0)11 - / 18 / 11 6
85PA422253 39% 0.397 PF00005 C1_S164 - (64)12 - / - / 37 6
86PA467227 100% 0.612 PF01195 C2_S123 - (0)14 - / 1 / 9 6
87PA386155 43% 0.565 PF00271 C6_S150 - (0)13 - / 16 / 27 6
88PA370031 62% 0.549 PF01336 C5_S157 - (40)16 1 / 9 / 7 6
89PA536646 37% 0.472 PF00005 C1_S135 - (0)12 - / 7 / 26 6
90PA395066 45% 0.537 PF00271 C4_S179 - (0)15 3 / 18 / 34 6
91PA298747 48% 0.561 PF00005 C1_S133 - (0)13 - / 20 / 9 6
92PA555241 57% 0.598 PF12804 C1_S148 - (32)15 3 / 23 / 6 6
93PA093255 70% 0.565 PF00291 C4_S175 - (55)12 - / 2 / 36 6
94PA364432 100% 0.628 PF00132 C3_S143 - (24)11 - / 2 / 15 6
95PA224729 79% 0.535 PF00676 C5_S131 - (23)8 - / 16 / 6 6
96PA499767 52% 0.322 PF00005 C2_S166 - (58)13 - / 40 / 10 6
97PA509448 40% 0.565 PF08402 C1_S133 - (0)11 - / 3 / 27 6
98PA353744 53% 0.580 PF02729 C9_S150 - (40)15 - / 8 / 17 6
99PA346666 46% 0.573 PF00271 C8_S161 - (0)13 7 / 19 / 26 6
100PA450544 39% 0.444 PF00005 C1_S137 - (0)9 - / 6 / 21 6

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