Atome 2 : Comparative Modeling, Annotation & Complexes Prediction of Study :
UP000000586 (2017 - Streptococcus pneumoniae - STRR6: Streptococcus pneumoniae (strain ATCC BAA-255 / R6))

Download : Data.csv | 3D Common Core | 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]
100spr081235 43% 0.60 PF00005 C1_S146 - (0)14 - / 14 / 12 3
101spr125332 37% 0.53 PF00005 C1_S164 - (61)12 - / 8 / 14 4
102spr173438 53% 0.46 PF00005 C1_S161 - (61)12 - / 12 / 7 4
103spr128943 43% ? PF00005 C1_S156 - (56)12 - / 15 / 3 4
104spr010621 44% ? PF00005 C2_S154 - (54)12 - / 9 / 2 1
105spr118369 48% 0.48 PF00005 C1_S180 - (80)14 - / 2 / 56 8
106spr189840 39% 0.52 PF00005 C1_S173 - (0)13 - / 9 / 14 5
107spr188523 52% 0.43 PF00005 C1_S165 - (63)12 - / 8 / 2 2
108spr121520 54% 0.51 PF00005 C2_S161 - (61)12 - / 5 / 2 0
109spr165722 44% 0.45 PF00005 C2_S164 - (62)7 - / 3 / 3 0
110spr137959 43% 0.49 PF00005 C1_S182 - (82)12 - / 34 / 6 3
111spr06090 48% 0.62 PF00005 17 - (0)? - / - / - 0
112spr15618 38% 0.45 PF00005 3 - (0)? - / - / - 0
113spr12370 40% 0.19 PF00005 52 - (0)? - / - / - 0
114spr09545 34% 0.38 PF00005 9 - (9)? - / - / - 0
115spr112612 63% 0.57 PF00005 C2_S122 - (0)3 - / 4 / - 2
116spr045598 81% 0.61 PF00012 C2_S1110 - (0)20 15 / 57 / 10 9
117spr151118 34% 0.55 PF00012 34 - (0)1 - / - / - 0
118spr12680 33% 0.35 PF00012 3 - (0)? - / - / - 0
119spr15520 29% 0.14 PF00013 0 - (0)? - / - / - 0
120spr15070 25% 0.11 PF00013 0 - (0)? - / - / - 0
121spr06839 50% 0.56 PF00013 2 - (0)? - / - / - 0
122spr10160 30% 0.91 PF00014 1 - (0)? - / - / - 0
123spr10001 31% 0.46 PF00018 2 - (0)? - / - / - 0
124spr09160 26% 0.68 PF00020 0 - (0)? - / - / - 0
125spr101311 99% 0.68 PF00022 3 - (0)2 - / - / - 0
126spr08430 57% 0.72 PF00030 0 - (0)? - / - / - 0
127spr07550 40% 0.21 PF00035 16 - (0)? - / - / - 0
128spr13570 40% 0.41 PF00042 19 - (0)? - / - / - 0
129spr182521 99% 0.47 PF00044 C6_S17 - (0)1 - / 1 / - 1
130spr16530 29% 0.34 PF00046 0 - (0)? - / - / - 0
131spr06012 29% 0.56 PF00046 1 - (0)? - / - / - 0
132spr12970 33% 0.77 PF00046 3 - (0)? - / - / - 0
133spr09400 35% 0.70 PF00046 4 - (0)? - / - / - 0
134spr110047 67% 0.60 PF00056 C5_S165 - (56)8 2 / 16 / 12 1
135spr08171 41% ? PF00061 4 - (0)? - / - / - 0
136spr06890 25% 0.60 PF00061 29 - (0)? - / - / - 0
137spr006013 37% 0.55 PF00061 8 - (0)? - / - / - 0
138spr01140 24% ? PF00063 1 - (0)? - / - / - 0
139spr17860 35% 0.65 PF00067 16 - (2)? - / - / - 0
140spr04218 36% 0.38 PF00067 7 - (0)? - / - / - 0
141spr20160 61% ? PF00067 12 - (3)? - / - / - 0
142spr14661 34% 0.33 PF00069 2 - (0)? - / - / - 0
143spr048610 73% 0.60 PF00069 11 - (0)? - / - / - 0
144spr15030 33% 0.19 PF00069 26 - (0)? - / - / - 0
145spr18590 35% 0.59 PF00069 15 - (0)? - / - / - 0
146spr01340 50% 0.33 PF00069 11 - (7)? - / - / - 0
147spr157719 47% 0.49 PF00069 C2_S189 - (20)14 - / 7 / 7 3
148spr08132 36% 0.38 PF00069 2 - (0)? - / - / - 0
149spr169017 99% 0.60 PF00069 6 - (0)? - / - / - 0
150spr120510 18% 0.34 PF00069 15 - (0)? - / - / - 0

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