Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSTLLALDTSTEACSVALLHEGRALSHYEVIPRLHAQRLLPMVRDLLDEAGVALSAVDAIAFGRGPGAFTGVRIAIGVVQGLAFALQRPVLAVSDLAILAQRAYREQGAERVAAAIDARMDEVYWGCYQLQ-QGEMRLAGSEAVLPPERVAVPWDAAAADWFGAGTGWG-YVERMPQRPVAL-DASL-LPHAEDLLSLAGFAWARGEGVEAEQALPVYLRDNVATPKKAP
2GEM Chain:A ((3-218))
---ILAIDTATEACSVALWNNGTINAHFELC--EHTQRILPMVQEILAASGASLNEIDALAFGRGPGSFTGVRIGIGIAQGLALGANLPMIGVSTLATMAQGAWRKTGATRVLAAIDARMGEVYWAEYQRDAQGVWQGEETEAVLKPERVGERLKQLSGEWATVGTGWSAWPDLAKECGLTLHDGEVSLPAAEDMLPIASQKLAAGETVAVEHAEPVYL-----------
General information:
TITO was launched using:
RESULT:
Template:
2GEM.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -170818 for 1866 contacts (-91.5/contact) +
2D Compatibility (PS) -21993 + (NN) -3270 + (LL) 516
1D Compatibility (HY) -18000 + (ID) 5300
Total energy: -218865.0 ( -117.29 by residue)
QMean score : 0.380
(partial model without unconserved sides chains):
PDB file :
Tito_2GEM.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2GEM-query.scw
PDB file :
Tito_Scwrl_2GEM.pdb
: