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



Input alignment information:
Query sequenceMNPLLIVGTRQWKGVHSVMAYKYLVIVESPAKAKTIEKYLGRNYKVMASVGHIRDLPKSKMGIDFENNYEPHYISIRGKGDVIKSLKAAAKKAQKVYLASDPDREGEAIAWHLAYLLGLDLKEKNRVVFNEITKDAVKAAFKEPRTIDVDLVDAQQARRTLDRIVGYSISPILWRKVKKGLSAGRVQSVALKIIIDREKEIREFVPEEYWSIDGNFKKARKKFKANFWGIDGKKKKLPDAQSVKEVTARIDGTDFEVKKVEKKERKRNPANPFTTSSLQQEAARKLNFRTRKTMMVAQQLYEGITLGKQGTVGLITYMRTDSTRIADTAKAEAAAFIEDTYGKEFSRHDHRKIKNAQGAQDAHEAVRPTSVLRTPDELKQYLDKDQLKLYTLIWSRFVASQMTPAILDTMKVTLEQNG--VIFIANGSKIKFKGFMQVYVEGRDDGKEEKENILPELEEGDVVQSVDIEPKQHFTQPPARFSEATLIRALEENGVGRPSTYAPTLDTIQRRYYVKLTQKRFEPTELGEIVNSLICEFFPQIVDIHFTAEMEGDLDKIEEGTEAWVKVVDRFYKPFEKELTNAEEKIEKIQIKDEPAGFDCDVCGHPMVIKLGKYGKFYACSNFPDCRNTKPIVKEIGVTCPVCHEGQVIERKSKKNRLFYGCSRFPECEFTSWDKPVGRNCPKCDGYLVEKKVKGGKQVVCVNGDYEEDIQK
2GAI Chain:A ((7-601))----------------------KYIVVESPAKAKTIKSILGNEYEVFASMGHIIDLPKSKFGVDLEKDFEPEFAVIKGKEKVVEKLKDLAKKG-ELLIASDMDREGEAIAWHIARVTNTL-GRKNRIVFSEITPRVIREAVKNPREIDMKKVRAQLARRILDRIVGYSLSPVLWRNFKSNLSAGRVQSATLKLVCDREREILRFVPKKYHRITVNFD-------GLTAEIDVKEKKFFDAETLKEIQ---SIDELVVEEKKVSVKKFAPPEPFKTSTLQQEAYSKLGFSVSKTMMIAQQLYEGVETKD-GHIAFITYMRTDSTRVSDYAKEEARNLITEVFGEEY--------------VGAHEAIRPTNVFMTPEEAGKYLNSDQKKLYELIWKRFLASQMKPSQYEETRFVLRTKDGKYRFKGTVLKKIFDGYEKVWKTERNTG-------EFPFEEGESVKPVVVKIEEQETKPKPRYTEGSLVKEMERLGIGRPSTYASTIKLLLNRGYIKKIRGYLYPTIVGSVVMDYLEKKYSDVVSVSFTAEMEKDLDEVEQGKKTDKIVLREFYESFSSVFDRNDRIVVDFPTNQKCS------CGKEMRLSFGKYGFYLKC----ECGKTRSVKND---EIAVIDDGKIFL--------------------------------------------------------------


General information:
TITO was launched using:
RESULT:

Template: 2GAI.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 : 3019 -55872 -18.51 -96.50
target 2D structure prediction score : 0.56
Monomeric hydrophicity matching model chain A : 0.79

3D Compatibility (PKB) : -18.51
2D Compatibility (Sec. Struct. Predict.) : 0.56
1D Compatibility (Hydrophobicity) : 0.79
QMean score : 0.468

(partial model without unconserved sides chains):
PDB file : Tito_2GAI.pdb:





(Unconserved sides chains are recalculated) :
Sequence: align-2GAI-query.scw
PDB file : Tito_Scwrl_2GAI.pdb: