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]
150spr010028 37% 0.51 PF00005 C1_S143 - (0)13 - / 1 / 18 5
151spr089227 55% 0.33 PF00293 C3_S198 - (41)12 - / - / 13 1
152spr143527 52% 0.50 PF00156 C4_S169 - (53)11 - / 10 / 16 2
153spr110827 50% 0.48 PF14815 C3_S168 - (0)9 10 / 2 / 11 2
154spr022227 40% 0.49 PF08402 C1_S133 - (0)11 - / 11 / 5 2
155spr109227 40% 0.56 PF01509 C3_S131 - (0)4 3 / 1 / 6 0
156spr110627 69% ? PF00512 C2_S142 - (37)10 6 / 13 / - 4
157spr074427 59% 0.54 PF07831 C5_S129 - (4)12 - / - / 14 6
158spr133627 35% 0.59 PF00271 C2_S144 - (0)13 - / 9 / 10 3
159spr005426 50% 0.53 PF02222 C2_S148 - (35)8 - / 7 / 13 5
160spr052526 40% 0.59 PF00005 C1_S152 - (0)13 - / 2 / 17 4
161spr137626 69% 0.55 PF00155 C1_S132 - (26)3 - / - / 9 1
162spr157026 100% 0.60 PF00368 C3_S133 - (23)12 - / 4 / 4 2
163spr188126 43% 0.57 PF00749 C6_S119 - (16)6 - / 4 / 7 2
164spr191726 46% 0.54 PF02446 C4_S1106 - (17)12 - / 1 / 8 2
165spr003526 77% 0.62 PF00155 C1_S149 - (34)14 - / - / 18 1
166spr040126 43% 0.53 PF02776 C6_S1100 - (50)18 14 / 7 / 15 1
167spr148626 52% 0.61 PF02580 C6_S129 - (0)12 - / 1 / 6 1
168spr069626 58% 0.60 PF09334 C2_S130 - (0)4 - / - / 7 0
169spr163425 42% 0.49 PF00218 C6_S127 - (7)10 - / 6 / 5 4
170spr139725 44% 0.46 PF01336 C8_S187 - (49)9 - / 12 / - 5
171spr040325 62% 0.51 PF07991 C3_S135 - (0)11 5 / 6 / 8 3
172spr002825 64% 0.56 PF13793 C5_S122 - (18)6 - / - / 10 2
173spr123925 50% 0.51 PF09154 C1_S138 - (0)7 6 / - / 8 2
174spr117925 46% 0.42 PF04261 C3_S164 - (0)8 5 / - / 5 1
175spr033925 69% 0.53 PF00288 C1_S148 - (18)13 - / 13 / 5 3
176spr050625 99% 0.56 PF00232 C1_S151 - (40)11 - / 1 / 7 4
177spr024825 69% 0.55 PF00164 8 - (0)0 - / - / - 0
178spr051425 47% 0.53 PF01717 C4_S121 - (15)6 - / 2 / 6 4
179spr026825 54% ? PF01227 C9_S126 - (0)8 - / - / 23 3
180spr154425 60% 0.45 PF07516 C4_S116 - (0)2 - / 2 / 6 1
181spr183925 62% 0.50 PF01451 C4_S119 - (2)12 - / 2 / 13 6
182spr154225 38% 0.58 PF00793 C4_S116 - (16)6 - / - / 6 2
183spr154324 39% 0.49 PF00793 C5_S116 - (16)6 - / - / 6 2
184spr005724 99% 0.61 PF04650 C3_S140 - (8)11 - / 3 / 7 4
185spr038124 50% 0.59 PF00106 C1_S174 - (47)15 5 / 1 / 2 1
186spr085424 66% 0.35 PF05222 C8_S161 - (51)9 - / - / 6 0
187spr109024 51% 0.58 PF00485 C1_S149 - (36)14 5 / 8 / 7 5
188spr029024 89% 0.56 PF00106 C1_S178 - (51)7 1 / 2 / 6 2
189spr178124 64% 0.58 PF00275 C7_S126 - (11)8 - / 4 / 6 3
190spr053024 49% 0.70 PF01116 C1_S129 - (21)11 - / - / 15 3
191spr112824 74% 0.56 PF00478 C1_S144 - (27)15 - / 3 / 14 3
192spr142924 94% 0.63 PF00186 C6_S1149 - (93)20 5 / 10 / 10 4
193spr190324 47% 0.55 PF00483 C1_S144 - (33)9 - / 11 / 5 3
194spr147224 63% 0.54 PF07973 C2_S130 - (9)15 1 / 8 / 8 4
195spr102024 89% 0.52 PF00216 C9_S158 - (0)2 2 / 2 / 4 1
196spr083424 41% 0.44 PF14748 C1_S132 - (0)5 - / - / 7 0
197spr037224 56% 0.42 PF00587 C1_S143 - (40)9 - / 6 / 7 2
198spr164424 56% 0.56 PF08402 C1_S155 - (0)15 - / 7 / 8 3
199spr109524 44% 0.58 PF01053 C1_S134 - (27)11 - / - / 7 2
200spr058824 46% 0.49 PF01715 C3_S139 - (11)8 - / - / 8 3

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