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:A ((4-260))
---KKVLTIAGSDTSAGAGMQADLKTFQELDTYGMVALTAIVTMDKDTWSHDVTPLPMDVFEKQLETALSIGPDAIKTGMLGTEEIIKRAGEVYEASNAQYFVVDPVMVCK--DEVLNPGNTEAMIKYLLPKATVVTPNLFEAGQLSGLGKLNSIEDMKKAATIIFDKGAQHVIIKGGKALDQDKSYDLYYDGQTFYQLTTDMFQQSYNHGAGCTFAAATTAYLANGKSPKEAVISAKAFVASAIKNGWKMNDFVGPVDHG
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) -160179 for 2206 contacts (-72.6/contact) +
2D Compatibility (PS) -27695 + (NN) -13574 + (LL) 348
1D Compatibility (HY) -14800 + (ID) 4650
Total energy: -220550.0 ( -99.98 by residue)
QMean score : 0.603
(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
: