Atome 2 : Comparative Modeling, Annotation & Complexes Prediction of Study :
UP000000823 (STRA3: Streptococcus agalactiae serotype III - Nov 2015)

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]
100gbs189124 99% 0.528 PF00106 C1_S161 - (46)5 1 / - / 3 1
101gbs013920 52% 0.558 PF00266 C1_S161 - (46)8 - / - / 13 2
102gbs108632 75% 0.567 PF02774 C2_S161 - (35)20 10 / 12 / 16 8
103gbs08336 50% 0.663 PF01381 60 - (0)1 - / - / - 0
104gbs033539 55% 0.658 PF00106 C1_S159 - (38)13 12 / 4 / 2 3
105gbs086210 34% 0.371 PF13302 59 - (0)? - / - / - 0
106gbs024612 40% 0.427 PF13302 59 - (0)? - / - / - 0
107gbs167816 36% 0.563 PF02254 59 - (58)? - / - / - 0
108gbs163420 63% 0.518 PF00574 59 - (0)? - / - / - 0
109gbs011725 34% 0.458 PF00294 C1_S159 - (47)7 - / 4 / 20 4
110gbs066824 36% 0.555 PF02826 C1_S159 - (42)4 3 / 1 / 4 1
111gbs055131 77% 0.490 PF00216 C6_S158 - (0)2 3 / 4 / 10 0
112gbs141722 44% 0.515 PF00294 C2_S158 - (39)4 - / - / 8 2
113gbs183321 74% 0.545 PF13193 C3_S158 - (31)8 - / 10 / 3 3
114gbs089830 43% 0.554 PF02852 C3_S158 - (51)4 18 / 2 / - 2
115gbs164941 74% 0.595 PF01177 C3_S158 - (41)7 - / - / 30 3
116gbs005426 65% 0.614 PF00107 C1_S158 - (33)8 1 / 1 / 2 2
117gbs15610 36% 0.371 PF01219 58 - (0)? - / - / - 0
118gbs144833 39% 0.455 PF01202 C3_S158 - (54)4 4 / 13 / 8 2
119gbs049118 42% 0.406 PF01202 57 - (51)? - / - / - 0
120gbs026340 77% 0.612 PF00370 C4_S157 - (57)14 - / 2 / 18 4
121gbs110247 56% 0.454 PF00005 C1_S157 - (57)12 - / 23 / 10 7
122gbs140742 55% 0.463 PF00005 C1_S157 - (57)11 - / 21 / 2 6
123gbs050846 47% 0.452 PF00005 C1_S157 - (55)8 - / 23 / 8 5
124gbs018420 36% 0.526 PF00496 57 - (0)? - / - / - 0
125gbs160315 39% 0.525 PF00583 57 - (20)? - / - / - 0
126gbs140125 44% 0.395 PF00005 C1_S157 - (55)6 - / 2 / 2 2
127gbs094137 60% 0.651 PF00383 C5_S156 - (38)13 - / - / 29 7
128gbs028633 63% 0.539 PF02540 C6_S156 - (50)11 1 / 11 / 13 5
129gbs162138 48% 0.522 PF00266 C1_S156 - (43)3 - / - / 37 1
130gbs115428 75% 0.558 PF00478 C2_S156 - (41)5 - / 4 / 6 3
131gbs117921 63% 0.620 PF02873 C3_S156 - (44)2 7 / - / 1 1
132gbs026620 42% 0.477 PF02852 56 - (52)? - / - / - 0
133gbs126521 55% 0.560 PF02776 C6_S156 - (20)6 - / - / 4 2
134gbs160020 33% 0.582 PF00106 56 - (42)1 - / - / - 0
135gbs195620 47% 0.574 PF02475 C1_S155 - (39)4 - / 2 / 6 1
136gbs078356 59% 0.602 PF00121 C3_S154 - (48)20 - / - / 33 7
137gbs086828 68% 0.532 PF03119 C1_S154 - (34)20 - / 16 / 12 14
138gbs170214 38% 0.443 PF07109 54 - (28)? - / - / - 0
139gbs015733 51% 0.393 PF04998 54 - (0)0 - / - / - 0
140gbs115823 51% 0.549 PF00106 C1_S154 - (37)4 9 / - / - 2
141gbs178421 38% 0.385 PF00005 C1_S154 - (52)1 - / 2 / - 1
142gbs011120 33% 0.537 PF02852 54 - (49)? - / - / - 0
143gbs174826 41% 0.471 PF13193 C5_S153 - (21)13 - / - / 6 0
144gbs140824 47% 0.438 PF00005 C1_S153 - (53)2 - / 4 / - 1
145gbs051417 33% 0.468 PF13193 53 - (22)? - / - / - 0
146gbs166020 35% 0.513 PF01425 53 - (0)? - / - / - 0
147gbs016730 52% 0.528 PF00871 C8_S153 - (44)20 2 / 8 / 15 12
148gbs185033 54% 0.580 PF00923 C4_S153 - (1)8 - / - / 17 3
149gbs079751 47% 0.615 PF00271 C6_S153 - (0)11 2 / 12 / 16 6
150gbs188420 32% 0.528 PF00356 C3_S152 - (0)2 - / - / 2 0

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