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



Input alignment information:
Query sequenceMNKHVNKVALIGAGFVGSSYAFALINQGITDELVVIDVNKEKAMGDVMDLNHGKAFAPQPVKTSYGTYEDCKDADIVCICAGANQKPGETRLELVEKNLKIFKGIVSEVMASGFDGIFLVATNPVDILTYATWKFSGLPKERVIGSGTTLDSARFRFMLSEYFGAAPQNVHAHIIGEHGDTELPVWSHANVGGVPVSELVEKNDAYKQEELDQIVDDVKNAAYHIIEKKGATYYGVAMSLARITKAILHNENSILTVSTYLDGQYGADDVYIGVPAVVNRGGIAGITELNLNEKEKEQFLHSAGVLKNILKPHFAEQKVN
3PQD Chain:H ((3-314))--KHVNKVALIGAGFVGSSYAFALINQGITDELVVIDVNKEKAMGDVMDLNHGKAFAPQPVKTSYGTYEDCKDADIVCICA-----------ELVEKNLKIFKGIVSEVMASGFDGIFLVATNPVDILTYATWKFSGLPKERVIGSGTTLDSARFRFMLSEYFGAAPQNVHAHIIGEHGDTELPVWSHANVGGVPVSELVEKNDAYKQEELDQIVDDVKNAAYHIIEKKGATYYGVAMSLARITKAILHNENSILTVSTYLDGQYGADDVYIGVPAVVNRGGIAGITELNLNEKEKEQFLHSAGVLKNILKPHF------


General information:
TITO was launched using:
RESULT:

Template: 3PQD.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
Monomeric PKB - chain H - contact count / total energy / energy per contact / energy per residue : 1639 -238931 -145.78 -793.79
target 2D structure prediction score : 0.70
Monomeric hydrophicity matching model chain H : 0.98

3D Compatibility (PKB) : -145.78
2D Compatibility (Sec. Struct. Predict.) : 0.70
1D Compatibility (Hydrophobicity) : 0.98
QMean score : 0.599

(partial model without unconserved sides chains):
PDB file : Tito_3PQD.pdb:





(Unconserved sides chains are recalculated) :
Sequence: align-3PQD-query.scw
PDB file : Tito_Scwrl_3PQD.pdb: