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]
100spr142924 94% 0.63 PF00186 C6_S1149 - (93)20 5 / 10 / 10 4
101spr094836 50% 0.42 PF16657 C1_S149 - (0)11 - / 2 / 27 4
102spr005221 53% 0.65 PF02844 C1_S134 - (23)5 - / 3 / 8 4
103spr125332 37% 0.53 PF00005 C1_S164 - (61)12 - / 8 / 14 4
104spr028622 100% 0.77 PF08124 C1_S133 - (0)9 1 / 1 / 11 4
105spr113547 59% 0.59 PF00180 C6_S163 - (52)17 - / 6 / 26 4
106spr195220 99% 0.59 PF01204 C3_S132 - (0)10 - / 1 / 8 4
107spr147224 63% 0.54 PF07973 C2_S130 - (9)15 1 / 8 / 8 4
108spr128943 43% ? PF00005 C1_S156 - (56)12 - / 15 / 3 4
109spr110627 69% ? PF00512 C2_S142 - (37)10 6 / 13 / - 4
110spr000529 64% 0.53 PF01195 C6_S120 - (0)11 - / 1 / 8 4
111spr013119 44% 0.56 PF00814 C2_S136 - (28)10 - / 9 / 4 4
112spr180130 37% 0.48 PF00005 C1_S165 - (0)14 - / 4 / 11 4
113spr199144 74% 0.63 PF00370 C3_S169 - (69)14 - / 3 / 24 4
114spr169663 73% 0.63 PF01177 C2_S161 - (50)10 - / 1 / 49 4
115spr154031 53% 0.62 PF01168 C2_S141 - (25)14 - / 6 / 22 4
116spr075852 83% 0.51 PF01063 C9_S1143 - (112)20 - / - / 33 4
117spr112363 51% 0.63 PF02978 C7_S198 - (68)17 3 / 20 / 21 4
118spr127221 64% 0.61 PF01182 C5_S126 - (18)12 - / - / 11 4
119spr050625 99% 0.56 PF00232 C1_S151 - (40)11 - / 1 / 7 4
120spr051425 47% 0.53 PF01717 C4_S121 - (15)6 - / 2 / 6 4
121spr052526 40% 0.59 PF00005 C1_S152 - (0)13 - / 2 / 17 4
122spr016231 100% 0.56 PF00926 C4_S130 - (0)8 - / - / 19 3
123spr151553 73% 0.61 PF01820 C1_S199 - (73)14 - / 13 / 30 3
124spr164424 56% 0.56 PF08402 C1_S155 - (0)15 - / 7 / 8 3
125spr112215 46% 0.52 PF00479 C3_S119 - (17)6 1 / 2 / 4 3
126spr132246 70% 0.68 PF01680 C6_S161 - (18)16 - / - / 14 3
127spr061322 57% 0.65 PF00215 C2_S132 - (25)9 - / 13 / 2 3
128spr081235 43% 0.60 PF00005 C1_S146 - (0)14 - / 14 / 12 3
129spr067033 53% 0.56 PF00271 C3_S145 - (0)12 2 / 6 / 13 3
130spr157719 47% 0.49 PF00069 C2_S189 - (20)14 - / 7 / 7 3
131spr026825 54% ? PF01227 C9_S126 - (0)8 - / - / 23 3
132spr072521 63% ? PF10431 C1_S116 - (0)6 1 / 12 / - 3
133spr178124 64% 0.58 PF00275 C7_S126 - (11)8 - / 4 / 6 3
134spr030419 100% ? PF00905 C1_S122 - (0)9 - / 1 / 8 3
135spr063022 41% 0.64 PF02581 C3_S150 - (39)15 - / 10 / 13 3
136spr106520 50% 0.46 PF00317 C1_S18 - (8)3 - / - / 5 3
137spr134357 75% 0.64 PF03143 C2_S164 - (0)7 15 / 32 / 4 3
138spr092872 81% 0.59 PF01041 C1_S1105 - (51)15 - / 2 / 58 3
139spr179919 39% 0.52 PF00398 C2_S113 - (13)7 - / 6 / 5 3
140spr122928 97% 0.55 PF00275 C7_S123 - (16)7 3 / 2 / 6 3
141spr053024 49% 0.70 PF01116 C1_S129 - (21)11 - / - / 15 3
142spr127638 76% 0.54 PF02540 C6_S167 - (61)13 - / 16 / 13 3
143spr137959 43% 0.49 PF00005 C1_S182 - (82)12 - / 34 / 6 3
144spr102520 36% 0.40 PF02922 C1_S134 - (0)10 - / 1 / 8 3
145spr182946 99% 0.62 PF02749 C6_S146 - (27)11 - / - / 17 3
146spr069013 100% 0.61 PF03830 C2_S118 - (0)5 2 / - / 6 3
147spr050923 45% 0.51 PF01588 C1_S14 - (3)4 - / 1 / 2 3
148spr027622 86% 0.56 PF00232 C1_S183 - (57)11 - / 1 / 6 3
149spr141332 43% 0.55 PF12627 C4_S128 - (17)8 - / - / 17 3
150spr032920 99% 0.53 PF00905 C1_S127 - (0)7 - / - / 6 3

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