Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKVKKAVIPAAGLGTRFLPATKAMAKEMLPIVDKPTIQFIVEEALDSGIEDILIVTGKEKRPIEDHFDANIELENNLREKEKTELLALVEETTQ-VNLHFIRQSHPRGLGDAVLQAKAFIGNEPFVVMLGDDLMKDDIPLTQQLMMDYEETQA----SAVAVMRVPENETSKYGIIDPKTDSEKGRC-RVKGFVEKPEMGKAPSNLAIIGRYLLTPKIFEILETQEPGAGNEIQLTDALQTL-NQTEAVYAREFKGKRYDVGDKLGYMKTNIEYGLQHSEIGTSLSAYIIQLSKKLRTES 2PA4 Chain:B ((12-298)) --VKTVVVPAAGLGTRFLPATKTVPKELLPVVDTPGIELIAAEAAELGATRLAIITAPNKAGVLAHFERSSELEETLMERGKTDQVEIIRRAADLIKAVPVTQDKPLGLGHAVGLAESVLDDDEDVVAV---MLPDDLVLPTGVMERMAQVRAEFGGSVLCAVEVSEADVSKYGIFEIEADTKDSDVKKVKGMVEKPAIEDAPSRLAATGRYLLDRKIFDALRRITPGAGGELQLTDAIDLLIDEGHPVHIVIHQGKRHDLGNPGGYIPACVDFGLSHPVYGAQLKDAIKQI--------

General information: TITO was launched using: RESULT: Template: 2PA4.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 : 1525 -16725 -10.97 -59.73 target 2D structure prediction score : 0.59 Monomeric hydrophicity matching model chain B : 0.82 3D Compatibility (PKB) : -10.97 2D Compatibility (Sec. Struct. Predict.) : 0.59 1D Compatibility (Hydrophobicity) : 0.82 QMean score : 0.455

(partial model without unconserved sides chains): PDB file : Tito_2PA4.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2PA4-query.scw PDB file : Tito_Scwrl_2PA4.pdb: