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


Input alignment information:
Query sequenceMQPLVGIIMGSTSDWETMKHACDILDELNVPYEKKVVSAHRTPDFMFEYAETARERGIKVIIAGAGGAAHLPGMTAAKTTLPVIGVPVQSKALNGMDSLLSIVQMPGGVPVATTSIGKAGAVNAGLLAAQILSAFDEDLARKLDERRENTKQTVLESSDQLV
4AY3 Chain:D ((22-177))-KSLVGVIMGSTSDWETMKYACDILDELNIPYEKKVVSAHRTPDYMFEYAETARERGLKVIIAGAGGAAHLPGMVAAKTNLPVIGVPVQSKALNGLDSLLSIVQMPGGVPVATVAIGKAGSTNAGLLAAQILGSFHDDIHDALELRREAIEKDVREG-----


General information:
TITO was launched using:
RESULT:

Template: 4AY3.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output 		Monomeric PKB - chain D - contact count / total energy / energy per contact / energy per residue : 819 -114615 -139.95 -734.71
target 2D structure prediction score : 0.60
Monomeric hydrophicity matching model chain D : 0.93

3D Compatibility (PKB) : -139.95
2D Compatibility (Sec. Struct. Predict.) : 0.60
1D Compatibility (Hydrophobicity) : 0.93
QMean score : 0.626

(partial model without unconserved sides chains):
PDB file : Tito_4AY3.pdb:





(Unconserved sides chains are recalculated) :
Sequence: align-4AY3-query.scw
PDB file : Tito_Scwrl_4AY3.pdb: