Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MMMKKQIITIAGGGSTYTPGIVQAILNNEKRLPLSEIRLYDIDEERNMDMYLIVKFMLKRKGFSNIRIRATDDPKLAFTGCDFVFSQIRVGGLEMREKDEKIPLKHGLVGQETCGLGGFAYGMRSIKGLLEIVDHIQDYAPKAWILNYTNPESIVSEAVRRKYPNVKMINACDMTISIEETIAVNYGYDRKNWIVTYYGLNHFGWYTSIYDKELQREIMPEIIEKLITKEMQVADFNIGDKTWQKTFQMMSVITKNFPSN------------IPNNYLEYYLYPDMVVEHTDKEYTRANMVMDGREKNTKEMADKIRRG--IVEEVLNFNFGEHGQYIVDIAISLLNDDRRRFMLIVPNQGAIPNLRSDAVVEIPAYVGATGVEPITLRKPISDFHKGLMEAQVAVEKLLVDAYFEGSYQKALQAFTLNQTVPNARVAKKILDEMIKVNKKYWPALK 1UP4 Chain:A ((3-411)) -------IAVIGGGSSYTPELVKGLLDISEDVRIDEVIFYDIDEEKQKIVVDFVKRLVKDR----FKVLISDTFEGAVVDAKYVIFQFRPGGLKGRENDEGIPLKYGLIGQETTGVGGFSAALRAFPIVEEYVDTVRK-TSNATIVNFTNPSGHITEFVRNYLEYEKFIGLCNVPINFIREIAEMFSARLEDVFLKYYGLNHLSF-----------------IEKVFVK---------GEDVTEKVFENLKLK-----DEDFPTWFYDSVRLIVNPYLRYYLMEKKMFKKISTHELRAREVM----KIEKELFEKYRTAVEIPEELTKRGGSMYSTAAAHLIRDLETDEGKIHIVNTRNNGSIENLPDDYVLEIPCYVRSGRVHTLSQGKG-DHFALSFIHAVKMYERLTIEAYLKRSKKLALKALLSHPLGPDVEDAKDLLEEILEANREY-----

General information: TITO was launched using: RESULT: Template: 1UP4.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 : 2154 -98352 -45.66 -252.18 target 2D structure prediction score : 0.65 Monomeric hydrophicity matching model chain A : 0.75 3D Compatibility (PKB) : -45.66 2D Compatibility (Sec. Struct. Predict.) : 0.65 1D Compatibility (Hydrophobicity) : 0.75 QMean score : 0.483

(partial model without unconserved sides chains): PDB file : Tito_1UP4.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1UP4-query.scw PDB file : Tito_Scwrl_1UP4.pdb: