Atome 2 : Comparative Modeling, Annotation & Complexes Prediction of Study :
UP000000751 (Staphylococcus - Mars 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]
50SA249241 41% 0.530 PF00005 C1_S131 - (0)10 - / 18 / 8 5
51SA202147 45% 0.463 PF00005 C1_S152 - (0)14 - / 3 / 25 7
52SA202026 45% 0.517 PF00005 C1_S146 - (0)6 - / - / 9 3
53SA063942 35% 0.365 PF00005 C2_S174 - (74)8 - / 26 / 7 5
54SA138539 38% 0.650 PF00005 C1_S148 - (0)10 - / 6 / 15 4
55SA029746 38% 0.601 PF00005 C1_S141 - (0)12 - / 13 / 15 5
56SA064025 35% 0.338 PF00005 C1_S116 - (14)6 - / 11 / 1 3
57SA121835 36% 0.482 PF00005 C1_S128 - (0)10 - / 7 / 16 5
58SA221755 48% 0.368 PF00005 C2_S159 - (59)10 - / 30 / 6 6
59SA020646 51% 0.526 PF00005 C2_S132 - (0)10 - / 11 / 15 5
60SA231416 39% 0.582 PF00005 12 - (0)? - / - / - 0
61SA076930 45% 0.501 PF00005 C1_S140 - (0)5 - / 7 / 6 2
62SA221662 51% 0.437 PF00005 C1_S162 - (60)14 - / 36 / 6 7
63SA224355 35% 0.533 PF00005 C1_S147 - (0)12 - / 23 / 19 7
64SA042061 52% 0.518 PF00005 C1_S163 - (0)13 - / 23 / 22 7
65SA071418 70% 0.525 PF00005 5 - (0)? - / - / - 0
66SA072011 21% 0.246 PF00005 6 - (0)? - / - / - 0
67SA059965 52% 0.407 PF00005 C2_S159 - (59)12 - / 38 / 10 7
68SA168353 100% 0.405 PF00005 C1_S164 - (58)11 - / 29 / 7 6
69SA174721 32% 0.572 PF00005 C1_S115 - (0)3 - / - / 3 2
70SA019720 35% 0.508 PF00005 7 - (0)? - / - / - 0
71SA21756 38% 0.568 PF00011 2 - (0)? - / - / - 0
72SA07160 36% 0.312 PF00012 2 - (0)? - / - / - 0
73SA15590 42% 0.535 PF00012 2 - (0)? - / - / - 0
74SA140989 81% 0.620 PF00012 C2_S1102 - (0)20 12 / 50 / 12 9
75SA15960 23% 0.024 PF00017 0 - (0)? - / - / - 0
76SA09548 36% 0.281 PF00018 4 - (0)? - / - / - 0
77SA00242 29% 0.523 PF00018 18 - (2)? - / - / - 0
78SA02228 58% 0.485 PF00018 2 - (0)0 - / - / - 0
79SA05260 28% -0.103 PF00026 19 - (0)? - / - / - 0
80SA02030 35% 0.318 PF00026 114 - (0)? - / - / - 0
81SA2054_10 43% 0.780 PF00038 2 - (0)? - / - / - 0
82SA06330 36% 0.258 PF00042 5 - (0)? - / - / - 0
83SA1191_10 41% 0.475 PF00042 5 - (0)? - / - / - 0
84SA072728 100% 0.545 PF00044 C4_S115 - (9)2 5 / 3 / - 1
85SA151045 64% 0.584 PF00044 C1_S155 - (25)6 7 / 15 / 7 2
86SA01900 32% 0.341 PF00046 2 - (1)? - / - / - 0
87SA0028_10 62% 0.425 PF00046 0 - (0)? - / - / - 0
88SA1490_10 33% -0.012 PF00046 0 - (0)? - / - / - 0
89SA19002 100% 0.660 PF00046 2 - (0)? - / - / - 0
90SA08850 31% 0.224 PF00046 0 - (0)? - / - / - 0
91SA0494_10 31% 0.828 PF00049 0 - (0)? - / - / - 0
92SA023237 99% 0.673 PF00056 C5_S136 - (26)4 9 / 13 / 1 2
93SA239542 59% 0.686 PF00056 C5_S142 - (32)6 3 / 24 / 2 3
94SA04569 100% 0.707 PF00056 8 - (0)2 - / - / - 0
95SA18021 36% 0.175 PF00059 2 - (0)? - / - / - 0
96SA03940 30% 0.279 PF00061 7 - (0)? - / - / - 0
97SA235617 50% 0.636 PF00062 13 - (0)? - / - / - 0
98SA189811 46% 0.355 PF00062 8 - (0)? - / - / - 0
99SA24378 46% 0.599 PF00062 5 - (0)? - / - / - 0
100SA15931 38% 0.311 PF00062 5 - (0)? - / - / - 0

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