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



Input alignment information:
Query sequenceMARKLFTPITIKDMTLKNRIVMSPMCMYSSHEKDGKLTPFHMAHYISRAIGQVGLIIVEASAVNPQGRITDQDLGIWSDEHIEGFAKLTEQVKEQGSKIGIQLAHAGRKAELEGDIFAPSAIAFDEQSATPVEMSAEKVKETVQEFKQAAARAKEAGFDVIEIHAAHGYLIHEFLSPLSNHRTDEYGGSPENRYRFLREIIDEVKQVWDGPLFVRVSASDYTDKGLDIADHIGFAKWMKEQGVDLIDCSSGALVHADINVFPGYQVSFAEKIREQADMATGAVGMITDGSMAEEILQNGRADLIFIGRELLRDPFFARTAAKQLNTEIPAPVQYERGW
3GR7 Chain:B ((1-338))MNTMLFSPYTIRGLTLKNRIVMSPMCMYSCDTKDGAVRTWHKIHYPARAVGQVGLIIVEATGVTPQGRISERDLGIWSDDHIAGLRELVGLVKEHGAAIGIQLAHAGRKSQVPGEIIAPSAVPFDDSSPTPKEMTKADIEETVQAFQNGARRAKEAGFDVIEIHAAHGYLINEFLSPLSNRRQDEYGGSPENRYRFLGEVIDAVREVWDGPLFVRISASDYHPDGLTAKDYVPYAKRMKEQGVDLVDVSSGAIVPARMNVYPGYQVPFAELIRREADIPTGAVGLITSGWQAEEILQNGRADLVFLGRELLRNPYWPYAAARELGAKISAPVQYERGW


General information:
TITO was launched using:
RESULT:

Template: 3GR7.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 : 2097 -199197 -94.99 -589.34
target 2D structure prediction score : 0.77
Monomeric hydrophicity matching model chain B : 0.92

3D Compatibility (PKB) : -94.99
2D Compatibility (Sec. Struct. Predict.) : 0.77
1D Compatibility (Hydrophobicity) : 0.92
QMean score : 0.716

(partial model without unconserved sides chains):
PDB file : Tito_3GR7.pdb:





(Unconserved sides chains are recalculated) :
Sequence: align-3GR7-query.scw
PDB file : Tito_Scwrl_3GR7.pdb: