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 5X0B Chain:A ((14-204)) --------------------------------------KKVDYVFIELDKMKPHEQLVQKELEAFIESVTGSGIFWKPMLLAKVPGEDM-YLIVDGHHRWAGLQKLGAKRAPSVILDYFSDDVKVYTWYPAFKGDLNEVVERLKKEGLEVIEDPEAEEKAERGEIAFALVGEKSFAIPGGLEEQKKVSKVLDEMSVEGKIELIYYGLKEDAREDMAKGEIDYVFIRKAPT---------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 5X0B.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 : 590 -31265 -52.99 -191.81 target 2D structure prediction score : 0.49 Monomeric hydrophicity matching model chain A : 0.68 3D Compatibility (PKB) : -52.99 2D Compatibility (Sec. Struct. Predict.) : 0.49 1D Compatibility (Hydrophobicity) : 0.68 QMean score : 0.287

(partial model without unconserved sides chains): PDB file : Tito_5X0B.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5X0B-query.scw PDB file : Tito_Scwrl_5X0B.pdb: