Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)



Input alignment information:
Query sequenceMTHTVPQNMKAAVMHNT-REIKIETLPVPDINHDEVLIKVMAVGICGSDLHYYTNGRIGNYVVEKPFILGHECAGEIAAVGSSVDQFKVGDRVAVEPGVTCGRCEACKEGRYNLCPDVQFLATPPVDGAFVQYIKMRQDFVFLIPDSLSYEEAALIEPFSVGIHAAARTKLQPGSTIAIMGMGPVGLMAVAAAKAFGAGTIIVTDLEPLRLEAAKKMGATHIINIREQDALEEIKTITNDRGVDVAWETAGNPAALQSALASVRRGGKLAIVGLPSQNEIPLNV-PFIADNEIDIYGIFR--YANTYPKGIEFLASGIVDTKHLVTDQYSLEQTQDAMERALQFKNECLKVMVYPNR
2DQ4 Chain:A ((1-342))--------MRALAKLAPEEGLTLVDRPVPEPGPGEILVRVEAASICGTDLHIWKWDAWARGRIRPPLVTGHEFSGVVEAVGPGVRRPQVGDHVSLESHIVCHACPACRTGNYHVCLNTQIL-GVDRDGGFAEYVVVPAENAWVNPKDLPFEVAAILEPFGNAVHTVYAGSGVSGKSVLITGAGPIGLMAAMVVRASGAGPILVSDPNPYRLAFARPY-ADRLVNPLEEDLLEVVRRVT-GSGVEVLLEFSGNEAAIHQGLMALIPGGEARILGIPSDP-IRFDLAGELVMRGITAFGIAGRRLWQTWMQGTALVYSGRVDLSPLLTHRLPLSRYREAFGLLASGQ--AVKVILDPK-


General information:
TITO was launched using:
RESULT:

Template: 2DQ4.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
Monomeric PKB - chain A - contact count / total energy / energy per contact / energy per residue : 2030 -240113 -118.28 -710.39
target 2D structure prediction score : 0.62
Monomeric hydrophicity matching model chain A : 0.80

3D Compatibility (PKB) : -118.28
2D Compatibility (Sec. Struct. Predict.) : 0.62
1D Compatibility (Hydrophobicity) : 0.80
QMean score : 0.546

(partial model without unconserved sides chains):
PDB file : Tito_2DQ4.pdb:





(Unconserved sides chains are recalculated) :
Sequence: align-2DQ4-query.scw
PDB file : Tito_Scwrl_2DQ4.pdb: