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



Input alignment information:
Query sequenceMTHSVVELIEIESAIIQVKMQDRTHKNAFSQELTDDLIQAFEYIRQNPKYKAVILTGYDNYFASGGTQEGLLRIQQGLTKFTDDNLYSLALDCEIPVIAAMQGHGIGGGFVMGLFADIVILSRESVYTANFMKYGFTPGMGATFIVPKKLGFSLAQEILLNAGSYRGADLEKRGVPFKVLPRAEVLDYAVELAQELAEKPRNSLVTLKDHLVAPLRDQLPRVIEQELMMHEKTFHHEEVKSRIKGLYGN
4Q1I Chain:B ((23-268))---SVVELIEIESAIIQVKMQDRTHKNAFSQELTDDLIQAFEYIRQNPKYKAVILTGYDNYFASGGTQEGLLRIQQGLTAFTDDNLYSLALDCEIPVIAAMQGHGIGGGFVMGLFADIVILSRESVYTANFMKYGFTPGMGATFIVPKKLGFSLAQEILLNAGSYRGADLEKRGVPFKVLPRAEVLDYAVELAQELAEKPRNSLVTLKDHLVAPLRDQLPRVIEQELMMHEKTFHHEEVKSRIKGLYGN


General information:
TITO was launched using:
RESULT:

Template: 4Q1I.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 1358 -189774 -139.75 -771.44
target 2D structure prediction score : 0.68
Monomeric hydrophicity matching model chain B : 0.99

3D Compatibility (PKB) : -139.75
2D Compatibility (Sec. Struct. Predict.) : 0.68
1D Compatibility (Hydrophobicity) : 0.99
QMean score : 0.653

(partial model without unconserved sides chains):
PDB file : Tito_4Q1I.pdb:





(Unconserved sides chains are recalculated) :
Sequence: align-4Q1I-query.scw
PDB file : Tito_Scwrl_4Q1I.pdb: