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]
150spr113547 59% 0.59 PF00180 C6_S163 - (52)17 - / 6 / 26 4
151spr203346 91% 0.59 PF00478 C2_S163 - (44)19 - / 12 / 29 5
152spr123341 42% 0.59 PF01761 C3_S162 - (57)8 5 / 15 / 13 1
153spr166920 46% 0.61 PF00356 C1_S162 - (0)2 - / - / 2 0
154spr004535 99% 0.46 PF01259 C2_S162 - (48)13 - / 17 / 15 9
155spr04964 33% 0.38 PF03539 62 - (0)? - / - / - 0
156spr000418 57% 0.53 PF07670 C5_S162 - (0)7 - / 5 / 2 3
157spr104822 41% 0.51 PF02852 C2_S162 - (54)7 3 / 1 / 2 1
158spr037920 99% 0.63 PF03060 C6_S161 - (42)4 - / 7 / - 2
159spr117516 100% 0.55 PF00258 C1_S161 - (61)2 2 / - / - 1
160spr121520 54% 0.51 PF00005 C2_S161 - (61)12 - / 5 / 2 0
161spr132246 70% 0.68 PF01680 C6_S161 - (18)16 - / - / 14 3
162spr169663 73% 0.63 PF01177 C2_S161 - (50)10 - / 1 / 49 4
163spr086620 73% 0.59 PF01180 C1_S161 - (48)9 - / 7 / 8 1
164spr040835 56% 0.60 PF00005 C1_S161 - (0)14 - / 16 / 17 5
165spr173438 53% 0.46 PF00005 C1_S161 - (61)12 - / 12 / 7 4
166spr085424 66% 0.35 PF05222 C8_S161 - (51)9 - / - / 6 0
167spr046821 69% ? PF00005 C1_S161 - (61)8 - / 3 / 2 2
168spr153630 100% 0.58 PF04650 C5_S161 - (27)15 - / 4 / 18 5
169spr170017 47% 0.41 PF07702 60 - (0)? - / - / - 0
170spr029820 42% 0.47 PF00356 C3_S160 - (0)2 - / - / 2 0
171spr053628 48% 0.41 PF00005 C1_S160 - (0)10 - / 9 / 8 5
172spr135436 44% 0.65 PF00005 C1_S160 - (56)15 - / 13 / 12 5
173spr170445 39% 0.47 PF00005 C1_S160 - (0)14 - / - / 29 6
174spr185432 51% 0.53 PF00871 C7_S159 - (50)20 2 / 11 / 14 12
175spr088017 59% 0.60 PF03848 C1_S159 - (31)6 - / 6 / 1 1
176spr053119 28% 0.50 PF00175 59 - (41)0 - / - / - 0
177spr163920 44% 0.49 PF00356 C3_S159 - (0)2 - / - / 2 0
178spr066620 41% 0.57 PF00005 C1_S159 - (0)12 - / 2 / 11 1
179spr102024 89% 0.52 PF00216 C9_S158 - (0)2 2 / 2 / 4 1
180spr165630 45% 0.44 PF00005 C2_S158 - (56)12 - / 11 / 3 1
181spr103674 100% 0.62 PF03952 C1_S158 - (46)15 - / 3 / 48 9
182spr131430 49% 0.50 PF08402 C1_S158 - (0)13 - / 18 / 7 6
183spr102434 100% 0.52 PF03119 C7_S158 - (27)20 2 / 16 / 18 14
184spr004330 65% ? PF00005 C2_S158 - (58)11 - / 14 / 1 3
185spr007122 35% 0.61 PF02254 58 - (0)0 - / - / - 0
186spr09658 46% 0.38 PF00132 58 - (39)? - / - / - 0
187spr188824 41% 0.45 PF00488 C3_S158 - (0)2 - / 1 / 9 0
188spr014921 46% 0.51 PF00005 C1_S158 - (0)9 - / 3 / 8 1
189spr072838 63% 0.60 PF00005 C1_S157 - (0)15 - / 17 / 20 6
190spr149719 42% 0.54 PF00005 C1_S157 - (53)10 - / 4 / 6 2
191spr194921 99% 0.54 PF04650 C5_S157 - (11)8 - / - / 9 3
192spr167820 43% 0.55 PF08402 C1_S157 - (0)14 - / 9 / 4 1
193spr069434 53% 0.55 PF00005 C1_S157 - (0)12 - / 9 / 12 5
194spr163123 98% 0.73 PF00290 C3_S157 - (23)20 - / 3 / 14 2
195spr112134 64% 0.63 PF00005 C1_S157 - (0)14 - / 13 / 10 5
196spr128943 43% ? PF00005 C1_S156 - (56)12 - / 15 / 3 4
197spr168011 37% 0.42 PF01047 56 - (0)? - / - / - 0
198spr127517 34% 0.47 PF13302 56 - (0)1 - / - / - 0
199spr073020 54% 0.60 PF03853 C4_S156 - (4)5 - / 3 / 1 0
200spr067620 38% 0.54 PF04055 C3_S155 - (4)4 - / - / 6 1

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