Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSTLLALDTSTEACSVALLHEGRALSHYEVIPRLHAQRLLPMVRDLLDEAGVALSAVDAIAFGRGPGAFTGVRIAIGVVQGLAFALQRPVLAVSDLAILAQRAYREQGAERVAAAIDARMDEVYWGCYQL-QQGEMRLAGSEAVLPPERVAVPWDAAAADWFGAGTGWGYVERMPQRP--VALDAS-LLPHAEDLLSLAGFAWARGEGVEAEQALPVYLRDNVATPKKAP
4WQ5 Chain:D ((3-226))
---ILAIDTATEACSVALWNDGTVNAHFELCPREHTQRILPMVQDILTTSGTSLTDINALAYGRGPGSFTGVRIGIGIAQGLALGAELPMIGVSTLMTMAQGAWRKNGATRVLAAIDARMGEVYWAEYQRDENGIWHGEETEAVLKPEIVHERMQQLSGEWVTVGTGWQAWPDLGKESGLVLRDGEVLLPAAEDMLPIACQMFAEGKTVAVEHAEPVYLRNNVAWKK---
General information:
TITO was launched using:
RESULT:
Template:
4WQ5.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -180115 for 1883 contacts (-95.7/contact) +
2D Compatibility (PS) -22937 + (NN) -2965 + (LL) 300
1D Compatibility (HY) -19200 + (ID) 5450
Total energy: -230367.0 ( -122.34 by residue)
QMean score : 0.363
(partial model without unconserved sides chains):
PDB file :
Tito_4WQ5.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4WQ5-query.scw
PDB file :
Tito_Scwrl_4WQ5.pdb
: