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]
100SA106332 100% 0.524 PF00069 C1_S177 - (22)17 - / 9 / 15 7
101SA207919 100% 0.603 PF01497 C2_S141 - (0)5 2 / 1 / 1 2
102SA04569 100% 0.707 PF00056 8 - (0)2 - / - / - 0
103SA223020 100% 0.534 PF00144 27 - (1)? - / - / - 0
104SA163820 100% 0.511 PF07968 4 - (0)? - / - / - 0
105SA089320 100% 0.584 PF00583 59 - (36)? - / - / - 0
106SA010811 100% 0.878 PF01047 3 - (0)? - / - / - 0
107SA044823 100% 0.637 PF01588 C2_S118 - (1)3 - / 3 / 1 2
108SA097629 100% 0.533 PF04650 C4_S148 - (0)10 6 / - / 12 4
109SA192726 100% 0.593 PF01116 C3_S121 - (18)7 - / - / 15 5
110SA016018 100% 0.545 PF03992 C5_S136 - (0)4 16 / - / - 2
111SA15689 100% 0.441 PF00753 29 - (3)? - / - / - 0
112SA080520 100% 0.494 PF03061 C1_S135 - (0)2 - / - / 2 1
113SA10038 100% 0.694 PF12199 0 - (0)? - / - / - 0
114SA220921 100% 0.385 PF07968 54 - (0)1 - / - / - 0
115SA206514 100% 0.759 PF02597 9 - (0)0 - / - / - 0
116SA100720 100% 0.596 PF07968 54 - (0)1 - / - / - 0
117SA126090 100% 0.650 PF00303 C5_S1130 - (85)20 - / 4 / 75 9
118SA170016 100% 0.594 PF00072 2 - (0)? - / - / - 0
119SA194125 100% 0.550 PF00210 C3_S18 - (0)4 - / - / 1 0
120SA22068 100% 0.600 PF02852 0 - (0)? - / - / - 0
121SA107118 100% 0.493 PF03061 C1_S113 - (0)2 - / 1 / 2 1
122SA12547 100% 0.144 PF01467 12 - (6)? - / - / - 0
123SA187315 100% 0.646 PF02452 C2_S12 - (0)? 1 / - / - 0
124SA161521 100% 0.564 PF13193 C6_S152 - (20)3 - / - / 3 2
125SA152215 100% 0.588 PF01039 2 - (0)? - / - / - 0
126SA135744 100% 0.560 PF02786 C2_S168 - (32)20 1 / 15 / 26 18
127SA19002 100% 0.660 PF00046 2 - (0)? - / - / - 0
128SA168353 100% 0.405 PF00005 C1_S164 - (58)11 - / 29 / 7 6
129SA093420 100% 0.385 PF00381 21 - (0)? - / - / - 0
130SA125213 100% 0.644 PF00583 40 - (13)1 - / - / - 0
131SA102820 100% 0.578 PF02491 17 - (0)? - / - / - 0
132SA058720 100% 0.627 PF01297 C9_S11 - (0)1 - / - / 1 1
133SA084120 100% 0.450 PF01123 2 - (0)? - / - / - 0
134SA212436 100% 0.543 PF12681 C1_S154 - (0)15 - / - / 25 4
135SA194712 100% 0.699 PF01022 13 - (0)? - / - / - 0
136SA025411 100% 0.499 PF07702 8 - (0)? - / - / - 0
137SA184416 100% 0.570 PF00072 C3_S19 - (0)2 - / - / 3 0
138SA02217 100% 0.800 PF11546 0 - (0)? - / - / - 0
139SA152319 100% 0.551 PF01039 6 - (0)? - / - / - 0
140SA205916 100% 0.525 PF00903 9 - (0)1 - / - / - 0
141SA158315 100% 0.627 PF01047 12 - (0)? - / - / - 0
142SA107914 100% 0.657 PF04297 2 - (0)? - / - / - 0
143SA107523 100% 0.833 PF00550 C5_S14 - (0)3 - / - / 2 2
144SA142761 100% 0.618 PF01048 C1_S194 - (49)20 - / 39 / 16 13
145SA066110 100% 0.610 PF00486 15 - (0)? - / - / - 0
146SA069320 100% 0.796 PF02873 C1_S160 - (44)2 7 / - / 1 1
147SA233420 100% 0.508 PF08541 C4_S121 - (13)5 - / - / 3 3
148SA031019 100% 0.629 PF07859 39 - (1)? - / - / - 0
149SA003820 100% 0.516 PF00905 C2_S118 - (0)5 - / 2 / 3 5
150SA099820 100% 0.601 PF01725 C3_S114 - (12)5 - / 6 / 5 2

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