Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNEQIPHDKSLDNSLTLLKEGYLFIKNRTERYNSD-LFQARLLGKNFICMTGAEAAKVFYDTDRFQRQNALPKRVQKSLFGVNAIQGMDGSAHIHRKMLFLSLMTPPHQKRLAELMTEEWKAAVTRWEKADEVVLFEEAKEILCRVACYWA-GVPLKETEVKERADDFIDMVDAFGAVGPRHWKGRRARPRAEEWIEVMIEDARAGLLKTTSGTALHEMAFHTQE-DGSQLDSRMAAIELINVLRPIVAISYFLVFSALALHEHPKYKEWLRSGNSREREMFVQEVRRYYPFGPFLGALVKKDFVWNNCEFKKGTSVLLDLYGTNHDPRLWDHPDEFRPERFAEREENLFDMIPQGGGHAEKGHRCPGEGITIEVMKASLDFLVHQIEYDVPEQSLHYSLARMPSLPESGFVMSGIRRKS 3AWM Chain:A ((9-414)) ---------GPDETLSLLADPYRFISRQCQRLG-ANAFESRFLLKKTNCLKGAKAAEIFYDTTRFEREGAMPVAIQKTLLGQGGVQGLDGETHRHRKQMFMGLMTPERVRALAQLFEAEWRRAVPGWTRKGEIVFYDELHEPLTRAVCA-WAGVPLPDDEAGNRAGELRALFDAAGSASPRHLWSRLARRRVDAWAKRIIEGIRAGSI-GSGSGTAAYAIAWHRDRHDDLLSPHVAAVELVNVLRPTVAIAVYITFVAHALQTCSGIRAALVQQ-PDYAELFVQEVRRFYPFFPAVVARASQDFEWEGMAFPEGRQVVLDLYGSNHDAATWADPQEFRPERFRAWDEDSFNFIPQGGGDHYLGHRCPGEWIVLAIMKVAAHLLVNAMRYDVPDQDLSIDFARLPALPKSGFVMRNVHIG-

General information: TITO was launched using: RESULT: Template: 3AWM.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 : 2098 -227058 -108.23 -563.42 target 2D structure prediction score : 0.63 Monomeric hydrophicity matching model chain A : 0.82 3D Compatibility (PKB) : -108.23 2D Compatibility (Sec. Struct. Predict.) : 0.63 1D Compatibility (Hydrophobicity) : 0.82 QMean score : 0.524

(partial model without unconserved sides chains): PDB file : Tito_3AWM.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3AWM-query.scw PDB file : Tito_Scwrl_3AWM.pdb: