Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKVKKAVIPAAGLGTRFLPATKAMAKEMLPIVDKPTIQFIVEEALDSGIEDILIVTGKEKRPIEDHFDANIELENNLREKEKTELLALV-EETTQVNLHFIRQSHPRGLGDAVLQAKAFIG--NEPFVVMLGDDLMKDDIPLTQQLMMDYEETQASAVAVMRVPENETSKYGIIDPKTDS-EKGRCRVKGFVEKPEMGKAPSNLAIIGRYLLTPKIFEILETQEPGAGNEIQLTDALQTLNQTE-AVYAREFKGKRYDVGDKLGYMKTNIEYGLQHSEIGTSLSAYIIQLSKKLRTES 2PA4 Chain:B ((11-300)) -AVKTVVVPAAGLGTRFLPATKTVPKELLPVVDTPGIELIAAEAAELGATRLAIITAPNKAGVLAHFERSSELEETLMERGKTDQVEIIRRAADLIKAVPVTQDKPLGLGHAVGLAESVLDDDEDVVAVMLPDDLVLPTG-VMERMAQVRAEFGGSVLCAVEVSEADVSKYGIFEIEADTKDSDVKKVKGMVEKPAIEDAPSRLAATGRYLLDRKIFDALRRITPGAGGELQLTDAIDLLIDEGHPVHIVIHQGKRHDLGNPGGYIPACVDFGLSHPVYGAQLKDAIKQILA------

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 : 1546 -22146 -14.32 -77.71 target 2D structure prediction score : 0.59 Monomeric hydrophicity matching model chain B : 0.80 3D Compatibility (PKB) : -14.32 2D Compatibility (Sec. Struct. Predict.) : 0.59 1D Compatibility (Hydrophobicity) : 0.80 QMean score : 0.446

(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: