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



Input alignment information:
Query sequenceMTTHLQAKATLHNGVEMPWFGLGVFQVEEGSELVNAVKTAIVHGYRSIDTAAIYGNEAGVGEGIREGIEEAGISREDLFITSKVWNADLGYEETLAAFETSLSKLGLDYLDLYLIHWPVEGKYKEAWRALETLYKEGRIKAIGVSNFQIHHLEDLMTAAEIKPMINQVEFHPRLTQKELIRYCQNQGIQMEAWSPLMQGQLL---DHPVLADIAQTYNKSVAQIILRWDLQHGIITIPKSTKEHRIKENASVFDFELTQDDMNRIDALNENLRVGPDPDNFDF
4GIE Chain:A ((15-284))-------CVTLHNSVRMPQLGLGVWRAQDGAETANAVRWAIEAGYRHIDTAYIYSNERGVGQGIRE----SGVPREEVWVTTKVWNSDQGYEKTLAAFERSRELLGLEYIDLYLIHWPGKKKFVDTWKALEKLYEEKKVRAIGVSNFEPHHLTELFKSCKIRPMVNQVELHPLFQQRTLREFCKQHNIAITAWSPLGSGEEAGILKNHVLGEIAKKHNKSPAQVVIRWDIQHGIVTIPKSTNKGRIQENFNVWDFKLTEEEMRQIDELNEDKRIGADPDNF--


General information:
TITO was launched using:
RESULT:

Template: 4GIE.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 : 1495 -86236 -57.68 -322.98
target 2D structure prediction score : 0.69
Monomeric hydrophicity matching model chain A : 0.87

3D Compatibility (PKB) : -57.68
2D Compatibility (Sec. Struct. Predict.) : 0.69
1D Compatibility (Hydrophobicity) : 0.87
QMean score : 0.629

(partial model without unconserved sides chains):
PDB file : Tito_4GIE.pdb:





(Unconserved sides chains are recalculated) :
Sequence: align-4GIE-query.scw
PDB file : Tito_Scwrl_4GIE.pdb: