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



Input alignment information:
Query sequenceMGVTKTPLYETLNESSAVALAVKLGLFPSKSTLTCQEIGDGNLNYVFHIYDQEHDRALIIKQAVPYAKVVGESWPLTIDRARIESSALIRQGEHVPHLVPRVFYSDTEMAVTVMEDLSHLKIARKGLIEGENYPHLSQHIGEFLGKTLFYSSDYALEPKVKKQLVKQFTNPELCDITERLVFTDPFFDHDTNDFEEELRPFVEKLWNNDSVKIEAAKLKKSFLTSAETLIHGDLHTGSIFASEHETKVIDPEFAFYGPIGFDVGQFIANLFLNALSRDGADREPLYEHVNQVWETFEETFSEAWQKDSLDVYANIDGYLTDTLSHIFEEAIGFAGCELIRRTIGLAHVADLDTIVPFDKRIGRKRLALETGTAFIEKRSEFKTITDVIELFKLLVKE
2PUL Chain:B ((7-396))------PLYETLNESSAVALAVKLG-------LTCQEIGDGNLNYVFHIY-----RALIIKQAVP---------PLTIDRARIESSALIRQGEHVPHLVPRVFYSDTEMAVTVMEDLSHLKIARKGLIEGENYPHLSQHIGEFLGKTLFYSSDYALEPKVKKQLVKQFTNPELCDITERLVFTDPFFDHDTNDFEEELRPFVEKLWNNDSVKIEAAKLKKSFLTSAETLIHGDLHTGSIFASEHETKVIDPEFAFYGPIGFDVGQFIANLFLNALSRDGADREPLYEHVNQVWETFEETFSEAWQKDSLDVYANIDGYLTDTLSHIFEEAIGFAGCELIRRTIGLAHVADLDTIVPFDKRIGRKRLALETGTAFIEKRSEFKTITDVIELFKLLVK-


General information:
TITO was launched using:
RESULT:

Template: 2PUL.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 : 1976 -210302 -106.43 -569.92
target 2D structure prediction score : 0.66
Monomeric hydrophicity matching model chain B : 0.97

3D Compatibility (PKB) : -106.43
2D Compatibility (Sec. Struct. Predict.) : 0.66
1D Compatibility (Hydrophobicity) : 0.97
QMean score : 0.523

(partial model without unconserved sides chains):
PDB file : Tito_2PUL.pdb:





(Unconserved sides chains are recalculated) :
Sequence: align-2PUL-query.scw
PDB file : Tito_Scwrl_2PUL.pdb: