Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MMMKKQIITIAGGGSTYTPGIVQAILNNEKRLPLSEIRLYDIDEERNM--DMYLIVKFMLKRKGFSNIRIRATDDPKLAFTGCDFVFSQIRVGGLEMREKDEKIPLKHGLVGQETCGLGGFAYGMRSIKGLLEIVDHIQDYAPKAWILNYTNPESIVSEAVRRKYPNVKMINACDMTISIEETIAVNYGYDRKNWIVTYYGLNHFGWYTSIY--DKELQREIMPEIIEKLITKEMQVADFNIGDKTWQKTFQMMSVITKNFPSNIPNNYLEYYLYPDMVVEHTDKEYTRANMVMDGREKNTK-EMADKIRRGIVEEVLNFNFGEHGQYIVDIAISLLNDDRRRFMLIVP-NQGAIPNLRSDAVVEIPAYVGATGVEPITLRKPISDFHKGLMEAQVAVEKLLVDAYFEGSYQKALQAFTLNQTVPNARVAKKILDEMIKVNKKYWPALK 5C3M Chain:B ((5-438)) ----LKMATI-GGGSSYTPELVEGLIKRYHELPVGELWLVDIPEGKEKLEIVGALAKRMVEKAGVP-IEIHLTLDRRRALEGADFVTTQFRVGGLEARAKDERIPLKYGVIGQETNGPGGLFKGLRTIPVILDIIRDMEELCPDAWLINFTNPAGMVTEAVLRYTKQEKVVGLCNVPIGMRMGVAKLLGVDADRVHIDFAGLNHMVFGLHVYLDGVEVTEKVIDLVAHPLGWEPDFLKGLKV----------------------LPCPYHRYYY---------QTDKMLAEELEAAKTKGTRAEVVQQLEKELFELYKDPRGGAYYSDAACSLISSIYNDKRDIQPVNTRNNGAIASIPPESAVEVNCVITKDGPKPIAVGD-LPVAVRGLVQQIKSFERVAAEAAVTGDYQTALVAMTINPLVPSDTIAKQMLDEMLEAHKEHLPQFF

General information: TITO was launched using: RESULT: Template: 5C3M.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 : 2266 -2567 -1.13 -6.34 target 2D structure prediction score : 0.67 Monomeric hydrophicity matching model chain B : 0.77 3D Compatibility (PKB) : -1.13 2D Compatibility (Sec. Struct. Predict.) : 0.67 1D Compatibility (Hydrophobicity) : 0.77 QMean score : 0.484

(partial model without unconserved sides chains): PDB file : Tito_5C3M.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5C3M-query.scw PDB file : Tito_Scwrl_5C3M.pdb: