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



Input alignment information:
Query sequenceMNKHVNKVALIGAGFVGSSYAFALINQGITDELVVIDVNKEKAMGDVMDLNHGKAFAPQPVKTSYGTYEDCKDADIVCICAGANQKPGETRLELVEKNLKIFKGIVSEVMASGFDGIFLVATNPVDILTYATWKFSGLPKERVIGSGTTLDSARFRFMLSEYFGAAPQNVHAHIIGEHGDTELPVWSHANVGGVPVSELVEKNDAYKQEELDQIVDDVKNAAYHIIEKKGATYYGVAMSLARITKAILHNENSILTVSTYLDGQYGADDVYIGVPAVVNRGGIAGITELNLNEKEKEQFLHSAGVLKNILKPHFAEQKVN
3PQD Chain:F ((4-314))---HVNKVALIGAGFVGSSYAFALINQGITDELVVIDVNKEKAMGDVMDLNHGKAFAPQPVKTSYGTYEDCKDADIVCICAGANQKPGETRLELVEKNLKIFKGIVSEVMASGFDGIFLVATNPVDILTYATWKFSGLPKERVIGSGTTLDSARFRFMLSEYFGAAPQNVHAHIIGEHGDTELPVWSHANVGGVPVSELVEKNDAYKQEELDQIVDDVKNAAYHIIEKKGATYYGVAMSLARITKAILHNENSILTVSTYLDGQYGADDVYIGVPAVVNRGGIAGITELNLNEKEKEQFLHSAGVLKNILKPHF------


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 F - contact count / total energy / energy per contact / energy per residue : 1712 -243446 -142.20 -782.78
target 2D structure prediction score : 0.73
Monomeric hydrophicity matching model chain F : 0.99

3D Compatibility (PKB) : -142.20
2D Compatibility (Sec. Struct. Predict.) : 0.73
1D Compatibility (Hydrophobicity) : 0.99
QMean score : 0.620

(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: