Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence ---------------------------------------MFEKIRSDMNPHQAYRIKKLQCQLDMAE-------------SYEEWKSFALKLDEETGAQEWKFDNSSPYFDAELISYRYTLLKRYRQQHRTLDLIYLLKEGLTYDIANIGHPM----LFAATHVGTKKLIEDYIEEVSQSLAYIASSECITFQR-----------------KEKIEFFENCEKAYGQPALMFSGG----------------ATLGLFHTGVCKALIE------------------QDLMPKVLSGSSAGAIMTGMLG--------------ISASEDI----QNLLNGEQFFSDAFHFRKLRELIKGNGGIADVHYLKKFL-IENLGDLTFEEAFKKSGLNINVAVAPYDATENPRIMNAIMTPNVLVWSAVLASCAVP--------------------VLFPPVRLTSKRYDGEHTPYMAN-----------------------TKWVDGSVRSDFPQERMAR-LYNLNYTIASQVNPHVVPFMQDDARRFRKDVLSWPERILRRQGKV--LSMGLMDFTRQRLGAISPVRR---------LLDHGYGVVGQRYYGDVNIIAKYSL--KHYAYTLQNPRPHLFKRLQREGERATWPKISSIETHARIG----KTIQHCLEVLRFEEKKQQPESYYAEA---------------------------------------------------------- 4WRT Chain:B ((10-758)) MNINPYFLFIDVPIQAAISTTFPYTGVPPYSHGTGTGYTIDTVIRTHEYSNKGKQYISDVTGCTMVDPTNGPLPEDNEPSAYAQLDCVLEALDRMDEEHPGLFQAASQNAMETLMV---TTVDKLTQGRQTFDWTVCRNQPAATALNTTITSFRLNDLNGADKGGLIPFCQDIIDSLDRPEMTFFSVKNIKKKLPAKNRKGFLIKRIPMKVKDKITKVEYIKRALSLNTMTKDAERGKLKRRAIATAGIQIRGFVLVVENLAKNICENLEQSGLPVGGNEKKAKLSNAVAKMLSNCPPGGISMTVTGDNTKWNECLNPRIFLAMTERITRDSPIWFRDFCSIAPVLFSNKIARLGKGFMITSKTKRLKAQIPCPDLFSIPLERYNEETRAKLKKLKPFFNEEGTASLSPGMMMGMFNMLSTVLGVAALGIKNIGNKEYLWDGLQSSDDFALFVNAKDEETCMEGINDFYRTCKLLGINMSKKKSYCNETGMFEFTSMFYRDGFVSNFAMELPSFGVAGVNESADMAIGMTIIKNNMINNGMGPATAQTAIQLFIADYRYTYKCHRGDSKVEGKRMKIIKELWENTKGRDGLLVADGGPNIYNLRNLHIPEIVLKYNLMDPEYKGRLLHPQNPFVGHLSIEGIKEA--DITKMDYDAVSGTHSWRTKRNRSILNTDQRNMILEEQCYAKCCNLFEACFNSASYRKPVGQHSMLEAMAHRLRMDARLDYESGRMSKDDFEKAMAHLGEI

General information: TITO was launched using: RESULT: Template: 4WRT.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 : 2501 31998 12.79 64.38 target 2D structure prediction score : 0.41 Monomeric hydrophicity matching model chain B : 0.64 3D Compatibility (PKB) : 12.79 2D Compatibility (Sec. Struct. Predict.) : 0.41 1D Compatibility (Hydrophobicity) : 0.64 QMean score : 0.086

(partial model without unconserved sides chains): PDB file : Tito_4WRT.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4WRT-query.scw PDB file : Tito_Scwrl_4WRT.pdb: