Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSTLLALDTSTEACSVALLHEGRALSHYEVIPRLHAQRLLPMVRDLLDEAGVALSAVDAIAFGRGPGAFTGVRIAIGVVQGLAFALQRPVLAVSDLAILAQRAYREQGAERVAAAIDARMDEVYWGCYQLQ-QGEMRLAGSEAVLPPERVAVPWDAAAADWFGAGTGWG-YVERMPQRPVAL-DASL-LPHAEDLLSLAGFAWARGEGVEAEQALPVYLRDNVATPKKAP
2GEL Chain:A ((3-218))
---ILAIDTATEACSVALWNNGTINAHFELCPREHTQRILPMVQEILAASGASLNEIDALAFGRGPGSFTGVRIGIGIAQGLALGANLPMIGVSTLATMAQGAWRKTGATRVLAAIDARMGEVYWAEYQRDAQGVWQGEETEAVLKPERVGERLKQLSGEWATVGTGWSAWPDLAKECGLTLHDGEVSLPAAEDMLPIASQKLAAGETVAVEHAEPVYL-----------
General information:
TITO was launched using:
RESULT:
Template:
2GEL.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -173983 for 1899 contacts (-91.6/contact) +
2D Compatibility (PS) -22159 + (NN) -2019 + (LL) 556
1D Compatibility (HY) -18000 + (ID) 5400
Total energy: -221005.0 ( -116.38 by residue)
QMean score : 0.380
(partial model without unconserved sides chains):
PDB file :
Tito_2GEL.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2GEL-query.scw
PDB file :
Tito_Scwrl_2GEL.pdb
: