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]
50SA16634 49% 0.739 PF04433 0 - (0)? - / - / - 0
51SA04811 39% 0.735 PF00890 62 - (0)? - / - / - 0
52SA24832 32% 0.735 PF00873 7 - (0)? - / - / - 0
53SA181919 100% 0.734 PF02876 5 - (0)? - / - / - 0
54SA044058 100% 0.734 PF01712 C2_S185 - (43)20 18 / 12 / 20 21
55SA249422 71% 0.731 PF00313 C6_S139 - (0)4 3 / 2 / - 0
56SA079813 99% 0.730 PF00462 4 - (0)? - / - / - 0
57SA17620 37% 0.728 PF02764 4 - (0)? - / - / - 0
58SA120522 36% 0.728 PF00290 C3_S117 - (8)3 - / - / 3 2
59SA052918 43% 0.727 PF01380 12 - (5)1 - / - / - 0
60SA175812 100% 0.727 PF02821 6 - (6)? - / - / - 0
61SA076812 45% 0.726 PF01751 C2_S111 - (0)3 - / - / 2 1
62SA131510 76% 0.725 PF13237 114 - (0)? - / - / - 0
63SA079518 61% 0.725 PF00550 0 - (0)? - / - / - 0
64SA115918 100% 0.722 PF00072 6 - (0)1 - / - / - 0
65SA085614 81% 0.721 PF03960 C2_S116 - (0)2 - / - / 1 1
66SA099243 100% 0.718 PF00085 C1_S134 - (0)6 - / - / 8 0
67SA002315 100% 0.715 PF02590 C2_S112 - (0)? - / 1 / - 0
68SA01960 27% 0.713 PF04916 0 - (0)? - / - / - 0
69SA003315 99% 0.712 PF07827 C5_S124 - (14)2 - / - / 2 1
70SA06510 37% 0.711 PF00067 3 - (0)? - / - / - 0
71SA14643 34% 0.711 PF11942 5 - (0)? - / - / - 0
72SA00600 41% 0.710 PF00071 13 - (0)? - / - / - 0
73SA04569 100% 0.707 PF00056 8 - (0)2 - / - / - 0
74SA19081 31% 0.706 PF00515 7 - (0)? - / - / - 0
75SA225919 36% 0.705 PF07521 13 - (0)? - / - / - 0
76SA11103 45% 0.703 PF00403 3 - (0)? - / - / - 0
77SA167817 67% 0.702 PF01475 3 - (0)? - / - / - 0
78SA114533 100% 0.702 PF01423 C5_S1107 - (0)4 - / 8 / 16 2
79SA101239 64% 0.700 PF02729 C5_S150 - (42)12 - / 8 / 17 5
80SA170111 100% 0.700 PF07730 C2_S122 - (20)1 - / 1 / - 1
81SA142010 62% 0.700 PF02410 0 - (0)? - / - / - 0
82SA194712 100% 0.699 PF01022 13 - (0)? - / - / - 0
83SA22458 33% 0.698 PF06769 10 - (8)? - / - / - 0
84SA10038 100% 0.694 PF12199 0 - (0)? - / - / - 0
85SA246413 50% 0.692 PF01753 2 - (0)0 - / - / - 0
86SA219717 99% 0.688 PF01323 14 - (0)? - / - / - 0
87SA245613 99% 0.688 PF02706 C1_S126 - (24)2 - / 3 / 1 1
88SA175413 99% 0.687 PF11546 1 - (0)? - / - / - 0
89SA239542 59% 0.686 PF00056 C5_S142 - (32)6 3 / 24 / 2 3
90SA19677 57% 0.685 PF00633 C6_S114 - (0)3 - / 4 / 1 2
91SA001415 72% 0.684 PF01281 0 - (0)? - / - / - 0
92SA006310 33% 0.683 PF00067 9 - (0)? - / - / - 0
93SA23316 38% 0.683 PF06855 0 - (0)? - / - / - 0
94SA11354 38% 0.683 PF06133 2 - (0)? - / - / - 0
95SA14042 57% 0.681 PF01165 0 - (0)? - / - / - 0
96SA0379_10 42% 0.680 PF02618 1 - (0)? - / - / - 0
97SA15911 37% 0.680 PF01022 15 - (0)? - / - / - 0
98SA1730106 100% 0.680 PF02898 C9_S1414 - (28)20 104 / - / 14 11
99SA091632 100% 0.679 PF00731 C9_S138 - (28)12 - / 1 / 16 4
100SA1300_10 34% 0.679 PF07776 2 - (0)? - / - / - 0

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