Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKKAISIFPKEFGFFPYIFLVYTIMPFLSLLKESGVKQGIGYGMLLLFVAAYRQLFCSVGKASFTYWLIVQMAVILMYSVFYNITYIYLGFFPANFVGYYKEKTNFNRAFCALIFILLFPCLYQFIANSVSLRELFSVLPFLVIMLISPFGIRSMFRRIELEAKLAQANEQIKELSKREERVRIARDLHDTLGHTLSLLTLKSQLIQRLAASDPERTKLEAKEMETSSRSALKQVRELVSD-------MRTVTITEELVNIQHI----LRAGNITFQYEGADDFSVISPVTQNIISMCMREAVTNIIKHSKA-THCAITISQFADKMRIVIRDDGKGAPKE------------KMFGNGLWGMEERLM-LIEGGLTVSD-HNGTVVALTIPLIKKAE 3A0R Chain:A ((129-348)) ---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------LSILGEMTARVAHEIRNPITIIGGFIMRMKKHLDD-PETLKKYINIITNELSRLETIVKEILEYSKERVLEFTEFNLNELIREVYVLFEEKIRKMNIDFCFETDNE-DLRVEADRTRIKQVLINLVQNAIEATGENGKIKITSEDMYTKVRVSVWNSGPPIPEELKEKIFSPFFTT----LGLSICRKIIEDEHGGKIWTENRENGVVFIFEIPKTPEK-

General information: TITO was launched using: RESULT: Template: 3A0R.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 : 593 -13490 -22.75 -72.14 target 2D structure prediction score : 0.60 Monomeric hydrophicity matching model chain A : 0.51 3D Compatibility (PKB) : -22.75 2D Compatibility (Sec. Struct. Predict.) : 0.60 1D Compatibility (Hydrophobicity) : 0.51 QMean score : 0.458

(partial model without unconserved sides chains): PDB file : Tito_3A0R.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3A0R-query.scw PDB file : Tito_Scwrl_3A0R.pdb: