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



Input alignment information:
Query sequenceMKRKYLKLMIGLALAATLTLSGCSLPGLSAAADQTIKIGAQSMSESEIIASMLGQLIEHHTDLKTTTIKNLGSNAVQQQALMNGEIDIAAT-RYTGDALTGTLRMEPEKDPDKALALTQREFKKRYDLKWYDSYGFDNTYAFTVSKELADQYHLETVSDVKKWAPQLKLGVDNYWMKL----KGNGYQDFTKTYGMTFGGTYPMQIGLVYDAVKSGKMDIVLAYSTDGRIKSYGLKMLKDDKQFFPPYDCSPVVPEKVLKEHPELEGIIKKMLGKIDTATMQELNYEVDGNLKEPSVVAKEYLEKHRYFES
3R6U Chain:A ((12-283))---------------------------------QTIKIGAQSMSESEIIASMLGQLIEHHTDLKTTTIKNLGSNAVQQQALMNGEIDIA-ATRYTGDALTGTLRMEPEKDPDKALALTQREFKKRYDLKWYDSYGFDNTYAFTVSKELADQYHLETVSDVK----KWAPQLKLGVDNYWMKLKGNGYQDFTKTYGMTFGGTYPMQIGLVYDAVKSGKMDIVLAYSTDGRIKSYGLKMLKDDKQFFPPYDCSPVVPEKVLKEHPELEGIIKKMLGKIDTATMQELNYEVDGNLKEPSVVAKEYLEKHRYFE-


General information:
TITO was launched using:
RESULT:

Template: 3R6U.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 : 1450 70271 48.46 263.19
target 2D structure prediction score : 0.61
Monomeric hydrophicity matching model chain A : 0.90

3D Compatibility (PKB) : 48.46
2D Compatibility (Sec. Struct. Predict.) : 0.61
1D Compatibility (Hydrophobicity) : 0.90
QMean score : 0.496

(partial model without unconserved sides chains):
PDB file : Tito_3R6U.pdb:





(Unconserved sides chains are recalculated) :
Sequence: align-3R6U-query.scw
PDB file : Tito_Scwrl_3R6U.pdb: