Atome 2 : Comparative Modeling, Annotation & Complexes Prediction of Study :
LTP (May 2014)

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)		 Modeller
(QMean Score)		 Classification code

 Binding Site (All) 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]
 [Best Score]
 Main Code
 [Name]
 [Number]
 [Number]
 Distribution of CDocking pKd
 [Number]
100700_tVI_SELMO10 26% 0.453 0.449 PF00234 0 - (0)- - / - / - -
101699_tXI_POPTR10 37% 0.404 0.424 PF00234 0 - (0)- - / - / - -
102698_tI_POPTR8 63% 0.642 0.632 PF00234 C3_S12 - (0)- - / - / 2 -
103697_tI_POPTR7 46% 0.736 0.731 PF00234 1 - (0)- - / - / - -
104696_tVIII_POPTR11 33% 0.589 0.622 PF00234 0 - (0)- - / - / - -
105695_tI_POPTR9 31% 0.539 0.553 PF00234 0 - (0)- - / - / - -
106694_tI_POPTR8 31% 0.587 0.619 PF00234 0 - (0)- - / - / - -
107692_tII_PICSI12 42% 0.565 0.517 PF00234 0 - (0)- - / - / - -
108691_tI_PICSI7 33% 0.353 0.409 PF00234 0 - (0)- - / - / - -
109690_tI_PICSI8 46% 0.446 0.506 PF00234 C1_S11 - (0)- - / - / 1 -
110689_tI_PICSI8 47% 0.655 0.656 PF00234 0 - (0)- - / - / - -
111688_tV_BRADI10 37% 0.400 0.416 PF00234 0 - (0)- - / - / - -
112687_tVI_BRADI9 28% 0.428 0.486 PF00234 0 - (0)- - / - / - -
113686_tII_BRADI12 60% 0.532 0.626 PF00234 C2_S11 - (0)- - / 1 / - -
114685_tV_BRADI9 34% 0.384 0.382 PF00234 0 - (0)- - / - / - -
115684_tI_BRADI8 70% 0.542 0.563 PF00234 C2_S14 - (0)- - / 2 / 2 -
116683_tI_BRADI8 56% 0.326 0.380 PF00234 C2_S12 - (0)- - / - / 2 -
117682_tI_BRADI8 73% 0.691 0.673 PF00234 C1_S14 - (0)- - / 2 / 2 -
118681_tIV_BRADI11 44% 0.418 0.483 PF00234 0 - (0)- - / - / - -
119680_tIII_BRADI18 35% 0.563 0.598 PF00234 0 - (0)- - / - / - -
120679_tII_BRADI12 57% 0.523 0.484 PF00234 C4_S11 - (0)- - / - / 1 -
121678_tII_BRADI11 65% 0.556 0.555 PF00234 C3_S11 - (0)- - / 1 / - -
122677_tVI_BRADI9 29% 0.667 0.618 PF00234 0 - (0)- - / - / - -
123676_tV_BRADI11 30% 0.486 0.434 PF00234 0 - (0)- - / - / - -
124675_tI_BRADI9 49% 0.523 0.563 PF00234 C2_S12 - (0)- - / - / 1 -
125674_tV_BRADI10 32% 0.510 0.519 PF00234 0 - (0)- - / - / - -
126673_tII_BRADI12 53% 0.609 0.587 PF00234 0 - (0)- - / - / - -
127672_tII_BRADI12 56% 0.517 0.514 PF00234 0 - (0)- - / - / - -
128671_tII_BRADI12 49% 0.498 0.552 PF00234 0 - (0)- - / - / - -
129670_tI_BRADI8 46% 0.463 0.506 PF00234 0 - (0)- - / - / - -
130669_tII_BRADI12 69% 0.587 0.599 PF00234 C4_S11 - (0)- - / - / 1 -
131668_tII_BRADI12 49% 0.643 0.640 PF00234 0 - (0)- - / - / - -
132667_tI_BRADI8 58% 0.492 0.518 PF00234 C2_S12 - (0)- - / - / 1 -
133666_tIV_BRADI11 44% 0.575 0.617 PF00234 0 - (0)- - / - / - -
134665_tI_BRADI9 47% 0.472 0.579 PF00234 0 - (0)- - / - / - -
135664_tI_BRADI7 44% 0.576 0.534 PF00234 1 - (0)- - / - / - -
136663_tIII_BRADI18 35% 0.665 0.716 PF00234 0 - (0)- - / - / - -
137662_tIX_PHYPA11 32% 0.385 0.465 PF00234 0 - (0)- - / - / - -
138661_tIX_PHYPA14 34% 0.553 0.690 PF00234 0 - (0)- - / - / - -
139660_tIX_PHYPA15 27% 0.559 0.542 PF00234 0 - (0)- - / - / - -
140659_t0_PHYPA12 52% 0.368 0.458 PF00234 0 - (0)- - / - / - -
141658_tIX_PHYPA15 34% 0.578 0.693 PF00234 0 - (0)- - / - / - -
142657_tIX_PHYPA11 31% 0.411 0.517 PF00234 0 - (0)- - / - / - -
143656_tIX_PHYPA10 37% 0.510 0.500 PF00234 0 - (0)- - / - / - -
144655_tIX_PHYPA10 30% 0.407 0.407 PF00234 0 - (0)- - / - / - -
145654_t0_PHYPA12 36% 0.371 0.472 PF00234 0 - (0)- - / - / - -
146653_t0_PHYPA13 34% 0.490 0.499 PF00234 0 - (0)- - / - / - -
147652_t0_PHYPA11 38% 0.574 0.575 PF00234 0 - (0)- - / - / - -
148651_tVI_MARPO12 30% 0.476 0.511 PF00234 0 - (0)- - / - / - -
149650_t0_PHYPA11 33% 0.459 0.459 PF00234 0 - (0)- - / - / - -
150649_tIX_PHYPA13 27% 0.586 0.589 PF00234 0 - (0)- - / - / - -

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