Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSTLLALDTSTEACSVALLHEGRALSHYEVIPRLHAQRLLPMVRDLLDEAGVALSAVDAIAFGRGPGAFTGVRIAIGVVQGLAFALQRPVLAVSDLAILAQRAYREQGAERVAAAIDARMDEVYWGCYQLQ-QGEMRLAGSEAVLPPERVAVPWDAAAADWFGAGTGWGYVERMPQRP--VALDASL-LPHAEDLLSLAGFAWARGEGVEAEQALPVYLRDNVATPKKAP
3ZEU Chain:D ((3-226))
---ILAIDTATEACSVALWNNGTINAHFELCPREHTQRILPMVQEILAASGASLNEIDALAFGRGPGSFTGVRIGIGIAQGLALGANLPMIGVSTLATMAQGAWRKTGATRVLAAIDARMGEVYWAEYQRDAQGVWQGEETEAVLKPERVGERLKQLSGEWATVGTGWSAWPDLAKECGLTLHDGEVSLPAAEDMLPIASQKLAAGETVAVEHAEPVYLRNEVAWKK---
General information:
TITO was launched using:
RESULT:
Template:
3ZEU.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -184354 for 1945 contacts (-94.8/contact) +
2D Compatibility (PS) -22943 + (NN) -3276 + (LL) 300
1D Compatibility (HY) -17600 + (ID) 5550
Total energy: -233423.0 ( -120.01 by residue)
QMean score : 0.333
(partial model without unconserved sides chains):
PDB file :
Tito_3ZEU.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3ZEU-query.scw
PDB file :
Tito_Scwrl_3ZEU.pdb
: