Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSRIGAAPINIPAGVSVECNDGKVLIKSAKAEKELRLCSDIVCQVTDNQLVLSVDQGKDSYNEIKPIWGTYRSNINNIINGIVNGFSVDLEINGIGYKAECDGKYLTLYLGYSHNIKYKVPKDVEIKCIKPTHLVVNGMDKQKVYVIASDICKIRKYDPYKGKGIVIKGKFMLRKVVSKKK
4IOC Chain:E ((5-167))
----GKQPIAVPSGVTVNAQDGVFKVKGPKGELTVPYNTELTVRQDGDQLL--VERPSDAQKH-RALHGLTRTLVANAVKGVSDGYTINLELRGVGFRAKLTGKALEMNIGYSHPVIIEPPAGVTFAVPEPTRIDVSGIDKQLVGQVAANVRKVRKPDAYHGKGVRFVGEQIALKAGK---
General information:
TITO was launched using:
RESULT:
Template:
4IOC.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -107642 for 1117 contacts (-96.4/contact) +
2D Compatibility (PS) -17348 + (NN) -2417 + (LL) 1352
1D Compatibility (HY) -9200 + (ID) 2650
Total energy: -137905.0 ( -123.46 by residue)
QMean score : 0.492
(partial model without unconserved sides chains):
PDB file :
Tito_4IOC.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4IOC-query.scw
PDB file :
Tito_Scwrl_4IOC.pdb
: