Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MIYAGILAGGIGSRMGNVPLPKQFLDIDNKPILIHTIEKFILVSEFNEIIIATPAQWISHTQDILKKY-NITDQRVKVVAGGTDRNETIMNIIDHIRNVNGINNDDVIVTHDAVRPFLTQRIIKENIEVAAKYGAVDTVIEAIDTIVMSKDKQNIHSIPVRNEMYQGQTPQSFNIKLLQDSYRALSSEQKEILSDACKIIVESGHAVKLVRGELYNIKVTTPYDLKVANAIIQGDIADD
2VSH Chain:B ((2-233))
MIYAGILAG-----------PKQFLELGDRPILIHTIEKFVLEPSIEKIVVGVHGDWVSHAEDLVDKYLPLYKERIIITKGGADRNTSIKNIIEAIDAYRPLTPEDIVVTHDSVRPFITLRMIQDNIQLAQNHDAVDTVVEAVDTIVESTNGQFITDIPNRAHLYQGQTPQTFRCKDFMDLYGSLSDEEKEILTDACKIFVIKGKDVALAKGEYSNLKITTVTDLKIAKSMI-------
General information:
TITO was launched using:
RESULT:
Template:
2VSH.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -136221 for 1764 contacts (-77.2/contact) +
2D Compatibility (PS) -23404 + (NN) -6107 + (LL) 184
1D Compatibility (HY) -25200 + (ID) 5650
Total energy: -196398.0 ( -111.34 by residue)
QMean score : 0.462
(partial model without unconserved sides chains):
PDB file :
Tito_2VSH.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2VSH-query.scw
PDB file :
Tito_Scwrl_2VSH.pdb
: