Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSIKKRGLAKGRGLDALLGSIQKEKLQLEAQALDHGQLKQIDVKLLKRGEYQPRRFIHEHDLQELASSIEKHGVM-QPIVIRPVDDEAHPYEIIAGERRWRAAQIAGLTEIPAIVRD-LNDQVAIAL----------ALIENIQRQDLNPIDQ------------ALAL---QRFHDEFGLSHQEIADTVGKARTTVSNL-LRLLSLADDIKEFMQQGQLDMGHARAILTLKGKEQLEVAKIVIEKGLSVRQTEQLVRDWNEPKQEKEKAPVAPDIEQLTQKLSERFGANVKIDHNQKGKGKLVIHYHSLDELDGILNICLPD 5X0K Chain:A ((14-204)) --------------------------------------KKVDYVFIELDKMKPHQQLVQKELEAFIESVTGSGIFWKPMLLAKVPGEDM-YLIVDGHHRWAGLQKLGAKRAPSVILDYFSDDVKVYTWYPAFKGDLNEVVERLKKEGLEVIEDPEAEEKAERGEIAFALVGEKSFAIPGGLEEQKKVSKVLDEMSVEGKIELIYYGLKEDAREDMAKGEIDYVFIRKAPT---------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 5X0K.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 : 597 -28269 -47.35 -173.43 target 2D structure prediction score : 0.50 Monomeric hydrophicity matching model chain A : 0.68 3D Compatibility (PKB) : -47.35 2D Compatibility (Sec. Struct. Predict.) : 0.50 1D Compatibility (Hydrophobicity) : 0.68 QMean score : 0.275

(partial model without unconserved sides chains): PDB file : Tito_5X0K.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5X0K-query.scw PDB file : Tito_Scwrl_5X0K.pdb: