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



Input alignment information:
Query sequenceMTTHLQAKATLHNGVEMPWFGLGVFQVEEGSELVNAVKTAIVHGYRSIDTAAIYGNEAGVGEGIREGIEEAGISREDLFITSKVWNADLGYEETLAAFETSLSKLGLDYLDLYLIHWPV--EGKYKEAWRALETLYKEGRIKAIGVSNFQIHHLEDLMTAAEIKPMINQVEFHPRLTQKELIRYCQNQGIQMEAWSPLMQGQLLDHPVLADIAQTYNKSVAQIILRWDLQHGIITIPKSTKEHRIKENASVFDFELTQDDMNRIDALN-ENLRVGPDPDNFDF
3WBY Chain:A ((14-282))-----QTVISFHDGHTMPQIGLGVWETPP-DETAEVVKEAVKLGYRSVATARLYKNEEGVGKGLEDHPE--------IFLTTKLWNDEQGYDSTLRAYEESARLLRRPVLDLYLIHWPMPAQGQYVETWKALVELKKSGRVKSIGVSNFESEHLERIMDATGVVPVVNQIELHPDFQQRALREFHEKHNIRTESWRPLGKGRVLSDERIGKIAEKHSRTPAQVVIRWHLQNGLIVIPKSVNPKRLAENLDVFGFVLDADDMQAIEQMDRKDGRMGADPNTAKF


General information:
TITO was launched using:
RESULT:

Template: 3WBY.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 : 1434 6775 4.72 25.47
target 2D structure prediction score : 0.65
Monomeric hydrophicity matching model chain A : 0.82

3D Compatibility (PKB) : 4.72
2D Compatibility (Sec. Struct. Predict.) : 0.65
1D Compatibility (Hydrophobicity) : 0.82
QMean score : 0.525

(partial model without unconserved sides chains):
PDB file : Tito_3WBY.pdb:





(Unconserved sides chains are recalculated) :
Sequence: align-3WBY-query.scw
PDB file : Tito_Scwrl_3WBY.pdb: