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]
250250_tI_GOSHI9 66% 0.487 0.548 PF00234 C2_S13 - (0)- - / - / 3 -
251251_tI_GOSHI8 62% 0.633 0.669 PF00234 C2_S12 - (0)- - / - / 2 -
252252_tI_GOSHI8 64% 0.594 0.602 PF00234 C2_S12 - (0)- - / - / 2 -
253253_tI_GOSHI9 66% 0.616 0.604 PF00234 C1_S13 - (0)- - / - / 3 -
254254_tI_GOSHI8 62% 0.615 0.645 PF00234 C2_S12 - (0)- - / - / 2 -
255255_tI_GOSHI8 64% 0.548 0.531 PF00234 C1_S12 - (0)- - / - / 2 -
256256_tI_GOSHI8 63% 0.645 0.647 PF00234 C1_S12 - (0)- - / - / 2 -
257257_tI_GYMCO9 60% 0.588 0.614 PF00234 C2_S13 - (0)- - / - / 3 -
258258_tI_HELAN9 44% 0.664 0.682 PF00234 0 - (0)- - / - / - -
259259_tI_HELAN8 66% 0.498 0.573 PF00234 C2_S14 - (0)- - / 1 / 3 -
260260_tI_HEVBR10 63% 0.552 0.576 PF00234 C3_S13 - (0)- - / - / 3 -
261261_tI_HORVU9 53% 0.421 0.389 PF00234 C2_S12 - (0)- - / - / 2 -
262262_tI_HORVU10 63% 0.678 0.676 PF00234 C5_S13 - (0)- - / 1 / 1 -
263263_tI_HORVU9 65% 0.563 0.575 PF00234 C3_S13 - (0)- - / 1 / 2 -
264264_tI_HORVU8 47% 0.668 0.708 PF00234 C2_S12 - (0)- - / - / 1 -
265265_tI_HORVU9 72% 0.468 0.527 PF00234 C2_S14 - (0)- - / 1 / 3 -
266266_tI_HORVU8 66% 0.547 0.532 PF00234 C5_S13 - (0)- - / 1 / 1 -
267267_tI_HORVU8 58% 0.583 0.601 PF00234 C3_S12 - (0)- - / 1 / 1 -
268268_tI_HORVU9 62% 0.494 0.520 PF00234 C4_S13 - (0)- - / 1 / 2 -
269269_tI_HORVU10 67% 0.610 0.610 PF00234 C5_S13 - (0)- - / 1 / 1 -
270270_tI_HORVD11 31% 0.535 0.664 PF00234 0 - (0)- - / - / - -
271271_tI_HORVD8 58% 0.569 0.596 PF00234 C2_S12 - (0)- - / - / 2 -
272272_tI_IPONI9 53% 0.457 0.555 PF00234 0 - (0)- - / - / - -
273273_tI_LACSA9 59% 0.579 0.546 PF00234 C2_S12 - (0)- - / 1 / 1 -
274274_tI_LACSA9 66% 0.592 0.637 PF00234 C4_S13 - (0)- - / - / 3 -
275275_tI_LENCU8 60% 0.518 0.521 PF00234 C3_S14 - (0)- - / 1 / 3 -
276276_tI_LENCU10 59% 0.655 0.619 PF00234 C2_S14 - (0)- - / 1 / 3 -
277277_tI_LENCU8 61% 0.559 0.559 PF00234 C3_S14 - (0)- - / 1 / 3 -
278278_tI_LENCU9 60% 0.508 0.528 PF00234 C3_S14 - (0)- - / 1 / 3 -
279279_tI_LENCU10 59% 0.533 0.569 PF00234 C2_S14 - (0)- - / 1 / 3 -
280280_tI_LENCU9 62% 0.504 0.470 PF00234 C5_S14 - (0)- - / 1 / 3 -
281281_tI_LEOAR9 65% 0.533 0.505 PF00234 C3_S14 - (0)- - / 1 / 3 -
282282_tI_LILLO8 55% 0.496 0.499 PF00234 C3_S12 - (0)- - / - / 2 -
283283_tI_LILLO8 57% 0.628 0.628 PF00234 C3_S13 - (0)- - / 1 / 2 -
284284_tI_MALDO8 77% 0.598 0.599 PF00234 C2_S12 - (0)- - / - / 2 -
285285_tI_MALDO8 77% 0.566 0.563 PF00234 C3_S13 - (0)- - / - / 3 -
286286_tI_MALDO8 78% 0.550 0.559 PF00234 C3_S13 - (0)- - / - / 3 -
287287_tI_MALDO7 81% 0.617 0.535 PF00234 C2_S13 - (0)- - / - / 3 -
288288_tI_MALDO7 81% 0.506 0.528 PF00234 C2_S13 - (0)- - / - / 3 -
289289_tI_NICAT8 59% 0.533 0.544 PF00234 C2_S14 - (0)- - / 1 / 3 -
290290_tI_NICGL9 60% 0.458 0.478 PF00234 C2_S14 - (0)- - / 1 / 3 -
291291_tI_NICGL8 59% 0.589 0.591 PF00234 C2_S14 - (0)- - / 1 / 3 -
292292_tI_NICGL8 61% 0.538 0.527 PF00234 C2_S14 - (0)- - / 1 / 3 -
293293_tI_NICGL8 60% 0.487 0.461 PF00234 C2_S14 - (0)- - / 1 / 3 -
294294_tI_TOBAC11 42% 0.577 0.663 PF00234 C2_S11 - (0)- - / - / 1 -
295295_tI_TOBAC8 60% 0.539 0.539 PF00234 C3_S14 - (0)- - / 1 / 3 -
296296_tI_TOBAC10 70% 0.594 0.618 PF00234 C3_S13 - (0)- - / - / 3 -
297297_tI_TOBAC11 41% 0.531 0.602 PF00234 C2_S11 - (0)- - / - / 1 -
298298_tI_TOBAC10 72% 0.525 0.521 PF00234 C3_S13 - (0)- - / - / 2 -
299299_tI_TOBAC9 100% 0.548 0.588 PF00234 C4_S14 - (0)- - / 1 / 3 -
300300_tI_PARJU10 35% 0.556 0.534 PF00234 0 - (0)- - / - / - -

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