Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSIQVKNIEKHFGAFHALKNISLDFPEGELVALLGPSGCGKTTLLRIIAGLESAEGGQVLLEG------EYATNVHVRERQVGFVFQHYALFRHMTVFDNIAFGLRVRPRATRPSEAEIKKRVTRLLDLVQLGFLADRYPAQLSGGQRQRIALARALAVEPRVLLLDEPFGALDAKVRKELRRWLRNLHDELHITSIFVTHDQEEALEVADQIIVMNKGNVEQIGSLREVYEKPATPFVFDFLGQ--ANRFEGE-HASGIIRIG-------NDRIELPTTVQAPQGKVIAFARPDELH----IHAQ-PQANTIEATFVREVWIAGKVVAELQDRNGRLIEIALSSEAAKQHAFKPNQTVWV--SASQLHLFADQVA 2D62 Chain:A ((7-366)) --VKLINIWKRFGDVTAVKDLSLEIKDGEFLVLLGPSGCGKTTTLRMIAGLEEPTRGQIYIEDNLVADPEKGVFVPPKERDVAMVFQSYALYPHMTVYDNIAFPLKLR----KVPKQEIDKRVREVAEMLGLTELLNRKPRELSGGQRQRVALGRAIIRRPKVFLMDEPLSNLDAKLRVKMRAELKKLQRQLGVTTIYVTHDQVEAMTMGDRIAVMNKGELQQVGTPDEVYYKPVNTFVAGFIGSPPMNFLDATITDDGFLDFGEFKLKLLQDQFEVLEEENMVGKEVIFGIRPEDVHDASFTHIDVPEENTVKATVDIIENLGGEKIVHLRRGN-----ISFTAKFPKESKVREGDEVSVVFDMKKIHIF-----

General information: TITO was launched using: RESULT: Template: 2D62.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 : 1632 14045 8.61 41.68 target 2D structure prediction score : 0.51 Monomeric hydrophicity matching model chain A : 0.81 3D Compatibility (PKB) : 8.61 2D Compatibility (Sec. Struct. Predict.) : 0.51 1D Compatibility (Hydrophobicity) : 0.81 QMean score : 0.465

(partial model without unconserved sides chains): PDB file : Tito_2D62.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2D62-query.scw PDB file : Tito_Scwrl_2D62.pdb: