Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MKTRNVLAISGNDIFSGGGLHADLATYVVNKLHGFVAVTCLTAMSDKGF--EVIPIEASILKQQLESLKDVEFGSIKLGLLPNVETAQVVLEFVKSKQECPVVLDPVLVCKENHDLEVSQLREQLIAFF-PYADVITPNLVEAQLLTGLS-IENLDQMKIAAEKLYDMGAKHVVIKGGNRLNAEEATDLYYDGERFETYVFPVVDAN-NTGAGCTFASSIASQLAMGKNVEDAVKMSKGFVYQAI----KASDKYGVVQHF
4C5K Chain:C ((4-260))
---KKVLTIAGSDTSAGAGMQADLKTFQELDTYGMVALTAIVTMDKDTWSHDVTPLPMDVFEKQLETALSIGPDAIKTGMLGTEEIIKRAGEVYEASNAQYFVVDPVM------EVLNPGNTEAMIKYLLPKATVVTPNLFEAGQLSGLGKLNSIEDMKKAATIIFDKGAQHVIIKGGKALDQDKSYDLYYDGQTFYQLTTDMFQQSYNHGAGCTFAAATTAYLANGKSPKEAVISAKAFVASAIKNGWKMNDFVGPVDHG
General information:
TITO was launched using:
RESULT:
Template:
4C5K.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -155323 for 2157 contacts (-72.0/contact) +
2D Compatibility (PS) -27158 + (NN) -12780 + (LL) 704
1D Compatibility (HY) -14000 + (ID) 4500
Total energy: -213057.0 ( -98.77 by residue)
QMean score : 0.589
(partial model without unconserved sides chains):
PDB file :
Tito_4C5K.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4C5K-query.scw
PDB file :
Tito_Scwrl_4C5K.pdb
: