Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MADFKAKEILLNAFDMNCVGHINHGLWTHPRDESHRFNELSYWTEQAKTLENGLFDGLFIADITGVYDVYQNGIDLTLKESIQLPSHDPSTLISAMAAVTQNLSFGVTVNLSYEHPYQFARRFASLDHLTQGRIGWNIVTGYLDSAERLIGQKGLKDHDARYEQAEEFLELCYKYWEGSWENDAVKKDKARRVFTDPSKVHTIHHHGKYYQSEGVFQVSPSVQ-RTPTLFQAGASPKGMQFATRHAECVFIGGDKPEKIREQVKKIRTLAEQQGRSANDIKVFVGITVVVAETHDLAVQKLNEYRQYASPEAGLAHYASSTGIDLSKFADDEAIPYQKSNSIVSITEKFKEQQITKNDLKAQHVLGGRYPLIVGSGEEVAEYLIHLLDETDIDGFNLTRTVAPESHHDFIRLVIPELQQHGRYKTAYKTGSLRNKIFNRGDHLPEQHPVQAFRCSPYNNSKNLTKIEEITA 3RAO Chain:B ((19-366)) -----FQGVEYGFWLPIFG-----GWLRNVNDE-SMPPTFEYAKQTAQAAEQLGFSTTLIAELNLND--IKG---------VSAPSLEAWTTAAALAAVTDRLEIMTAVRPGFHNPAVTAKMAANIDQLSNGRFTLNVVSAWWEEEAKQYGGVF-TAHDERYDRTEEFVTILKGLWKE----------------------EEFSYKGNFYELHHTHLSPKPVQKQGIKLYAGGESKRGKEVIVNHADAYVMHGGTVEEVSVKIEDMKNRRKKVTEEPL-QSFGLAAYVICRHTEEEALEEWRRITDVK--------ALGYAGY--QDFVSKS--------QLEQQVK---LNDYS---VSNR----GLRPNLIGTPEQIAERILAFEK-VGVTLLLLQFSPQLEEMKRFSEKVMPLVEAKR--------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3RAO.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 : 1805 -94200 -52.19 -273.04 target 2D structure prediction score : 0.68 Monomeric hydrophicity matching model chain B : 0.71 3D Compatibility (PKB) : -52.19 2D Compatibility (Sec. Struct. Predict.) : 0.68 1D Compatibility (Hydrophobicity) : 0.71 QMean score : 0.474

(partial model without unconserved sides chains): PDB file : Tito_3RAO.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3RAO-query.scw PDB file : Tito_Scwrl_3RAO.pdb: