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:C ((3-226))
---ILAIDTATEACSVALWNDGTVNAHFELCPREHTQRILPMVQDILTTSGTSLTDINALAYGRGPGSFTGVRIGIGIAQGLALGAELPMIGVSTLMTMAQGAWRKNGATRVLAAIDARMGEVYWAEYQRDENGIWHGEETEAVLKPEIVHERMQQLSGEWVTVGTGWQAWPDLGKESGLVLRDGEVLLPAAEDMLPIACQMFAEGKTVAVEHAEPVYLRNNV-WKK---
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) -270669 for 2097 contacts (-129.1/contact) +
2D Compatibility (PS) -23013 + (NN) -4277 + (LL) 444
1D Compatibility (HY) -18400 + (ID) 5350
Total energy: -321265.0 ( -153.20 by residue)
QMean score : 0.339
(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
: