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



Input alignment information:
Query sequenceMHSRPQISPERAAQLAAEWFEGQLDAPAELDSYADRNFLVRAPDGTKAVLKVPNVELAEDIDLQIAILKWLEARPSAPLVPRVLGPTRTIEDDAGRPTRAWMVGWIEGELWFDASPTPALREELGAALGQLARDLEDFRHPGMERHFAWNLAEANWIAEELHRFEDPARAELVCDALMQFQGRVLPRLAELPTQVIHGDANDKNLAVAEGRLVGVFDFGDACWCPAVCDLAIALAYAAMDLRLGCALPEVAAACAQVCAGYHGRRPLTALELDLLYDLLRARLAVSVTSSTRAREAEPDNAYVSASEQGAWSVLEALGAVGRRAFTATVAEACGLALAPRVPGARTGDELLAARRRRLGPSLSLSYASSGMPLYIRRGEGSWLFDEHDQAFLDCVNN--VCHVGHCHPRVVEAGAAQMARLNTNTRYLHEGLV-DYAEALCATLPAPLEVVYLVNSGSEANELALRLARDYTGGFDVAVLDAAYHGNT-GNLVDMSPYKFDAPGGRGRREWVHVLPTPDPYRGAHGDDGPAYAAALDAADAAARGRGSRLAALFCESVLGCAGQVVPAS-GFLAAAYARARAAGAVCIADEVQVGFGRVGDGMWAFEAEGVVPDILTLGKPIGNGHPLGAVVTTRAIAEALGGGRMEFFCTFGGNPVSAAVGAAVLAVIEDEGLVANARDTGSWLRGAFEQLAADPVLGRGIGEVRGRGLFIGVELVEDRSTKRPDAARASAIVAHARARGVLLSTDGPARNVIKIKPPICFADVEARILASTLARALSATMR
1WKH Chain:B ((29-378))------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------LLIVRGQGARVWDAEGNEYIDCVGGYGVANLGHGNPEVVEAVKRQAETLMAMPQTLPTPMRGEFYRTLTAILPPELNRVFPVNSGTEANEAALKFARAHTGRKKFVAAMRGFSGRTMGSLSVTWEPKYREP----------FLPLVEPVEFIPYNDVEALKRAVD----------EETAAVILEPVQGEGG-VRPATPEFLRAAREITQEKGALLILDEIQTGMGRTGK-RFAFEHFGIVPDILTLAKALGGGVPLGVAVMREEVARSMPKG--GHGTTFGGNPLAMAAGVAAIRYLERTRLWERAAELGPWF---MEKLRAIP--SPKIREVRGMGLMVGLELKEKAA---PYIARLE------KEHRVLALQAGP--TVIRFLPPLVI---------------------


General information:
TITO was launched using:
RESULT:

Template: 1WKH.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 : 2039 -10046 -4.93 -29.12
target 2D structure prediction score : 0.63
Monomeric hydrophicity matching model chain B : 0.64

3D Compatibility (PKB) : -4.93
2D Compatibility (Sec. Struct. Predict.) : 0.63
1D Compatibility (Hydrophobicity) : 0.64
QMean score : 0.204

(partial model without unconserved sides chains):
PDB file : Tito_1WKH.pdb:





(Unconserved sides chains are recalculated) :
Sequence: align-1wkh-query.scw
PDB file : Tito_Scwrl_1WKH.pdb: