Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence ------MTIQQEIFSILGIKGP-----VLLGEGSESQTYDYTAD----KVVKIYK-GPVEQDNLDHLCSIYTWLSTHHLPFAVPEIY---AIESHEGTVYLIEKKLAGRPISAVYAQLQMYERQRLLSNYLEAVRHLQGVVLPTQPYGSIFHAPGPSPVPYQSWRKFLRETAPLKLPQTQDDLRQEGIDVARLLEKFFQDIENAPDTPEKNFVHGDYFFGNVLVDDELEI--------SAVLDVSWWSVVGDHLMDIAGAVMFLDLYEYVTP--QEIASLTQQALALYGPEILTAIRIYGVYYSLLLSDCKLLDPAAYSWSIKRLREYMQ------------- 1ZYL Chain:A ((4-328)) SAFTFQTLHPDTIMDALFEHGIRVDSGLTPLNSYENRVYQFQDEDRRRFVVKFYRPERWTADQILEEHQFALQLVNDEVPVAAPVAFNGQTLLNHQGFYFAVFPSVGGRQFE---------------ADNIDQMEAVGRYLGRMHQTGRKQLFIHRPTIGLNEYLIEPRKLFE-DATLIPSGLKAAFLKATDELIAAVTAH--WREDFTVLRLHGDCHAGNILWRDGPMFVDLDDARNGPAVQDLWMLLNGDKAEQRMQLETIIEAYEEFSEFDTAEIGLIEPLRAMRLVYYLAWLMRRWADPAFPKNFPWLTGEDYWLRQTATFIEQAKVLQEPPLQLTPMY

General information: TITO was launched using: RESULT: Template: 1ZYL.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 : 1296 -62053 -47.88 -219.27 target 2D structure prediction score : 0.62 Monomeric hydrophicity matching model chain A : 0.63 3D Compatibility (PKB) : -47.88 2D Compatibility (Sec. Struct. Predict.) : 0.62 1D Compatibility (Hydrophobicity) : 0.63 QMean score : 0.324

(partial model without unconserved sides chains): PDB file : Tito_1ZYL.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1zyl-query.scw PDB file : Tito_Scwrl_1ZYL.pdb: