Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MTAVAAGALVVETDSFRLRLLDGLVASIGERGYRATTVSDIVRHARTSKRTFYDRFTSKEQCFLELLLADNETLGNSIRAAVDPNADWHDQIRQAVEAYVTHIESRPAVTLSWIREFPS--LGAAAYPVQRRGMEQLTSLLIELSASPGFRRANLPPLNVPLAVILLGGLRELTALTVEDGQ-PIRNIVEPAVDASIALLGPRS
3PAS Chain:A ((2-191))
--------MRQRDDSKRIAFLEATVREVADHGFSATSVGKIAKAAGLSPATLYIYYEDKEQLLLATFYYVSDQVIDAALDSFSRGKDLREGLRRQWHTLFRIGLERPELFRYHETFTHSAWMTPEIQARNESRAANLLNAVDQGKQSGLIKP--VP--FPLLETFMFRPIYHLVQRCLQGSFEGTDEHIELAFNMAWDAVAD--
General information:
TITO was launched using:
RESULT:
Template:
3PAS.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -83341 for 1339 contacts (-62.2/contact) +
2D Compatibility (PS) -19984 + (NN) -6649 + (LL) 1028
1D Compatibility (HY) -6800 + (ID) 1500
Total energy: -117246.0 ( -87.56 by residue)
QMean score : 0.493
(partial model without unconserved sides chains):
PDB file :
Tito_3PAS.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3PAS-query.scw
PDB file :
Tito_Scwrl_3PAS.pdb
: