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]
100PA225047 73% 0.570 PF02852 C1_S161 - (55)2 33 / 2 / - 1
101PA037347 68% 0.695 PF02978 C6_S164 - (0)10 5 / 17 / 5 2
102PA325446 50% 0.591 PF08402 C1_S132 - (0)12 - / 9 / 15 5
103PA501346 63% 0.547 PF01063 C7_S1103 - (89)16 - / 4 / 35 2
104PA111346 46% 0.488 PF00005 C2_S150 - (50)9 - / 26 / 7 5
105PA536646 37% 0.472 PF00005 C1_S135 - (0)12 - / 7 / 26 6
106PA490146 63% 0.596 PF02776 C6_S152 - (24)9 3 / 26 / 3 4
107PA440746 100% 0.812 PF00091 C2_S155 - (0)10 - / 26 / 17 5
108PA318746 48% 0.580 PF08402 C2_S137 - (0)10 - / 18 / 8 5
109PA427046 73% 0.474 PF04560 C5_S158 - (0)1 - / - / 17 0
110PA201245 100% 0.489 PF02786 C3_S160 - (27)20 - / 16 / 18 14
111PA301445 86% 0.619 PF02737 C2_S135 - (35)7 8 / 11 / 6 2
112PA002545 70% 0.587 PF08501 C7_S169 - (64)10 8 / 8 / 20 5
113PA344745 39% 0.499 PF00005 C1_S130 - (0)12 - / 7 / 18 6
114PA374645 78% 0.548 PF02978 C7_S162 - (0)13 3 / 14 / 13 4
115PA162844 39% 0.543 PF02737 C2_S136 - (36)7 7 / 13 / 5 2
116PA308844 50% 0.530 PF01513 C6_S155 - (43)18 - / 11 / 16 5
117PA261644 72% 0.582 PF07992 C2_S1113 - (102)9 33 / - / 5 3
118PA089544 65% 0.586 PF00202 C1_S159 - (40)9 - / 4 / 16 5
119PA359044 46% 0.541 PF02737 C3_S141 - (40)7 5 / 10 / 10 2
120PA353744 53% 0.580 PF02729 C9_S150 - (40)15 - / 8 / 17 6
121PA158444 71% 0.588 PF13085 C2_S175 - (0)17 - / - / 24 0
122PA450544 39% 0.444 PF00005 C1_S137 - (0)9 - / 6 / 21 6
123PA518844 39% 0.580 PF02737 C2_S140 - (38)4 10 / 14 / - 2
124PA119743 36% 0.526 PF02146 C4_S1154 - (38)18 5 / 5 / 9 4
125PA164843 100% 0.604 PF00107 C1_S156 - (41)8 21 / 4 / 2 2
126PA363643 100% 0.554 PF00793 C3_S146 - (36)13 - / - / 17 4
127PA142943 65% 0.446 PF08282 C1_S146 - (31)10 - / 5 / 9 3
128PA239043 48% 0.549 PF08402 C3_S130 - (0)11 - / 18 / 11 6
129PA494443 100% 0.644 PF01423 C4_S132 - (0)14 - / - / 15 3
130PA411743 100% 0.571 PF00360 C4_S132 - (0)6 24 / 2 / - 3
131PA353843 43% 0.447 PF08402 C1_S139 - (0)11 - / 18 / 4 5
132PA445643 39% 0.544 PF00005 C1_S132 - (0)10 - / 5 / 20 5
133PA550343 48% 0.517 PF00005 C1_S127 - (0)9 - / 7 / 17 6
134PA168642 40% 0.533 PF00730 C6_S1153 - (0)4 - / 1 / 32 2
135PA065042 59% 0.604 PF00591 C11_S175 - (1)20 - / 13 / 30 8
136PA493842 70% 0.605 PF00709 C5_S170 - (53)18 - / 33 / 9 7
137PA049442 60% 0.620 PF02786 C1_S168 - (32)20 - / 18 / 22 16
138PA338441 39% 0.495 PF00005 C1_S134 - (0)11 - / 13 / 15 5
139PA138441 56% 0.640 PF01370 C1_S1151 - (126)10 41 / 4 / - 4
140PA357941 60% 0.515 PF00370 C3_S159 - (59)14 - / 3 / 17 4
141PA555241 57% 0.598 PF12804 C1_S148 - (32)15 3 / 23 / 6 6
142PA360741 51% 0.523 PF08402 C2_S132 - (0)11 - / 8 / 13 5
143PA133741 84% 0.795 PF00710 C8_S129 - (29)14 - / - / 18 4
144PA311841 65% 0.614 PF00180 C8_S154 - (45)15 - / 9 / 24 4
145PA037441 42% 0.545 PF08402 C1_S141 - (0)10 - / 14 / 7 5
146PA084941 71% 0.627 PF07992 C1_S1117 - (102)7 35 / - / 4 3
147PA415841 35% 0.595 PF00005 C1_S133 - (0)11 - / - / 22 6
148PA426940 75% 0.443 PF04998 C6_S160 - (0)0 - / 2 / 14 0
149PA230840 41% 0.488 PF00005 C1_S126 - (0)11 - / 4 / 20 6
150PA441040 57% 0.628 PF01820 C1_S194 - (69)12 - / 12 / 15 5

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