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



Input alignment information:
Query sequenceMSTAGRYKHVVKLGEGTYGSVYKGTEIQTGKVVAFKRMVVTSDDEGVPGAAIREICLLKELRHDNVVDLFEVLFEPPKITMIFELCDCDLKRFMESRPKRLLDAEAEMRPILKQIFIGLEYLHSRSVVHRDMKPQNIFVNVRAPDFAALTASPSSRQDHLQPPPFSGVPTAVGGDVQSAAGSDGRPNPFAGADSVPPWEAAAAAPSNTPNQLIVKIGDFGLARVEEIPVKKYSHEVVTLWYRSPDVLMGSALYSYPVDIWSMGAIFFEMATSKVLFSGRHEDEQLLRMFWLLGSPTRETWPSMLSYPGAMERLERASRAAAERPDLRFGSEVYVQQQQQPPSSQSHSGGRAPDLLTQIAHKRFYHSLKAIQQREESARSSSNTYQLPVELWFDRPLFGEYMSATGFDSCVTAEGVNLLRQCLLYEPNHRITAAAAVRHAYLHAVSVPTAGALDVLMTSLLQTMEACHLL
1UNG Chain:A ((3-135))-----KYEKLEKI----YGTVFKAKNRETHEIVALKRVRLDDDDEGVPSSALREICLLKELKHKNIVRLHDVLHSDKKLTLVFEFCDQDLKKYFDSCNGD-LDPEI-VKSFLFQLLKGLGFCHSRNVLHRDLKPQNLLIN-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------


General information:
TITO was launched using:
RESULT:

Template: 1UNG.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 : 449 -54679 -121.78 -423.87
target 2D structure prediction score : 0.63
Monomeric hydrophicity matching model chain A : 0.60

3D Compatibility (PKB) : -121.78
2D Compatibility (Sec. Struct. Predict.) : 0.63
1D Compatibility (Hydrophobicity) : 0.60
QMean score : 0.444

(partial model without unconserved sides chains):
PDB file : Tito_1UNG.pdb:





(Unconserved sides chains are recalculated) :
Sequence: align-1UNG-query.scw
PDB file : Tito_Scwrl_1UNG.pdb: