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



Input alignment information:
Query sequenceMSTAGRYKHVVKLGEGTYGSVYKGTEIQTGKVVAFKRMVVTSDDEGVPGAAIREICLLKELRHDNVVDLFEVLFEPPKITMIFELCDCDLKRFMESRPKRLLDAEAEMRPILKQIFIGLEYLHSRSVVHRDMKPQNIFVNVRAPDFAALTASPSSRQDHLQPPPFSGVPTAVGGDVQSAAGSDGRPNPFAGADSVPPWEAAAAAPSNTPNQLIVKIGDFGLARVEEIPVKKYSHEVVTLWYRSPDVLMGSALYSYPVDIWSMGAIFFEMATSKVLFSGRHEDEQLLRMFWLLGSPTRETWPSMLSYPGAMERLERASRAAAERPDLRFGSEVYVQQQQQPPSSQSHSGGRAPDLLTQIAHKRFYHSLKAIQQREESARSSSNTYQLPVELWFDRPLFGEYMSATGFDSCVTAEGVNLLRQCLLYEPNHRITAAAAVRHAYLHAVSVPTAGALDVLMTSLLQTMEACHLL
5LQF Chain:D ((5-221))--SMEDYTKIEKIGEGTYGVVYKGRHKTTGQVVAMKKIRLESEEEGVPSTAIREISLLKELRHPNIVSLQDVLMQDSRLYLIFEFLSMDLKKYLDSIPPGQYMDSSLVKSYLYQILQGIVFCHSRRVLHRDLKPQNLLIDD---------------------------------------------------------------------KGTIKLADFGLARAFGIPIR-------TLWYRSPEVLLGSARYSTPVDIWSIGTIFAELATKKPLFHGDSEIDQLFRI-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------


General information:
TITO was launched using:
RESULT:

Template: 5LQF.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
Monomeric PKB - chain D - contact count / total energy / energy per contact / energy per residue : 964 -113476 -117.71 -540.36
target 2D structure prediction score : 0.63
Monomeric hydrophicity matching model chain D : 0.67

3D Compatibility (PKB) : -117.71
2D Compatibility (Sec. Struct. Predict.) : 0.63
1D Compatibility (Hydrophobicity) : 0.67
QMean score : 0.438

(partial model without unconserved sides chains):
PDB file : Tito_5LQF.pdb:





(Unconserved sides chains are recalculated) :
Sequence: align-5LQF-query.scw
PDB file : Tito_Scwrl_5LQF.pdb: