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



Input alignment information:
Query sequenceMGVTKTPLYETLNESSAVALAVKLGLFPSKSTLTCQEIGDGNLNYVFHIYDQEHDRALIIKQAVPYAKVVGESWPLTIDRARIESSALIRQGEHVPHLVPRVFYSDTEMAVTVMEDLSHLKIARKGLIEGENYPHLSQHIGEFLGKTLFYSSDYALEPKVKKQLVKQFTNPELCDITERLVFTDPFFDHDTNDFEEELRPFVEKLWNNDSVKIEAAKLKKSFLTSAETLIHGDLHTGSIFASEHETKVIDPEFAFYGPIGFDVGQFIANLFLNALSRDGADREPLYEHVNQVWETFEETFSEAWQKDSLDVYANIDGYLTDTLSHIFEEAIGFAGCELIRRTIGLAHVADLDTIVPFDKRIGRKRLALETGTAFIEKRSEFKTITDVIELFKLLVKE
2PUN Chain:B ((7-396))------PLYETLNESSAVALAVKLGLFP--STLTCQEIGDGNLNYVFHIYDQE--RALIIKQAVP--------WPLTIDRARIESSALIRQGEHVPHLVPRVFYSDTEMAVTVMEDLSHLKIARKGLIEGENYPHLSQHIGEFLGKTLFYSSDYALEPKVKKQLVKQFTNPELCDITERLVFTDPFFDHDTNDFEEELRPFVEKLWNNDSVKIEAAKLKKSFLTSAETLIHGDLHTGSIFASEHETKVIDPEFAFYGPIGFDVGQFIANLFLNALSRDGADREPLYEHVNQVWETFEETFSEAWQKDSLDVYANIDGYLTDTLSHIFEEAIGFAGCELIRRTIGLAHVADLDTIVPFDKRIGRKRLALETGTAFIEKRSEFKTITDVIELFKLLVK-


General information:
TITO was launched using:
RESULT:

Template: 2PUN.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 : 2033 -224190 -110.28 -593.10
target 2D structure prediction score : 0.67
Monomeric hydrophicity matching model chain B : 0.98

3D Compatibility (PKB) : -110.28
2D Compatibility (Sec. Struct. Predict.) : 0.67
1D Compatibility (Hydrophobicity) : 0.98
QMean score : 0.542

(partial model without unconserved sides chains):
PDB file : Tito_2PUN.pdb:





(Unconserved sides chains are recalculated) :
Sequence: align-2PUN-query.scw
PDB file : Tito_Scwrl_2PUN.pdb: