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



Input alignment information:
Query sequenceMLQAENIKKAYGKKTIVKGISFSLKKGESFGLLGPNGAGKSTTISMISGLVPHDSGNITVGGYVIGKETAKAKQKIGIVPQEIALYPTLTAHENLMFWGKMYGLTHGEAKKRAAEVLEYVGLTERAKDKIETFSGGMKRRINIGAALMHKPELLIMDEPTVGIDPQSRNHILETVKQLNETGMTVIYTSHYMEEVEFLCDRIGIIDQGEMIAIGTKTDLCSRLGGDTIIQLTVSGINEAFLVAIRSLAHVNDVTVHELELKIDISAAHHEKVVTSLLAEATAHHINLLSLQVQEPNLERLFLNLTGRTLRD
1VPL Chain:A ((19-242))----KDLRKRIGKKEILKGISFEIEEGEIFGLIGPNGAGKTTTLRIISTLIKPSSGIVTVFGKNVVEEPHEVRKLISYLPEEAGAYRNMQGIEYLRFVAGFYASSSSEIEEMVERATEIAGLGEKIKDRVSTYSKGMVRKLLIARALMVNPRLAILDEPTSGLDVLNAREVRKILKQASQEGLTILVSSHNMLEVEFLCDRIALIHNGTIVETGTVEELKERYKAQNI-----------------------------------------------------------------------------------


General information:
TITO was launched using:
RESULT:

Template: 1VPL.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 : 1137 -128552 -113.06 -573.89
target 2D structure prediction score : 0.51
Monomeric hydrophicity matching model chain A : 0.73

3D Compatibility (PKB) : -113.06
2D Compatibility (Sec. Struct. Predict.) : 0.51
1D Compatibility (Hydrophobicity) : 0.73
QMean score : 0.554

(partial model without unconserved sides chains):
PDB file : Tito_1VPL.pdb:





(Unconserved sides chains are recalculated) :
Sequence: align-1VPL-query.scw
PDB file : Tito_Scwrl_1VPL.pdb: