Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKRIARIAVATYMGLAVNMGLAVNAVQAATTFLNVSYDPTREFYQEYNQAFGKFWKQRTGQDVDFKQSHGGSGKQARAVATGLEADVVTLALANDIDEIVKAGFIQPNWQKEFPNNSAPYTSTVVFLVRKGNPKNIRDWNDLTKPGVEIITPNPKTGGAPRWIYLSAWGYALKQPGGNDAKAKELVKKLYHNVNVLDLGARGSLTTFAERGIGDVLLSWENEALLATKGLDKDKYEIVYPSISILAEPSVAIVDKTVDKDGNRTLAKGYLNFLYSPLGQELAAKHYFRPRNPQVAAKYAAQFPKIKLFTINDVFGGWAKAQKTHFANGAIFDQIYDGKQ 1SBP Chain:A ((5-307)) -------------------------------LLNVSYDPTRELYEQYNKAFSAHWKQETGDNVVIDQSHGGSGKQATSVINGIEADTVTLALAYDVNAIAERGRIDKNWIKRLPDDSAPYTSTIVFLVRKGNPKQIHDWNDLIKPGVSVITPNPKSSGGARWNYLAAWGYALHHNNNDQAKAEDFVKALFKNVEVLDSGARGSTNTFVERGIGDVLIAWENEALLATNELGKDKFEIVTPSESILAEPTVSVVDKVVEKKDTKAVAEAYLKYLYSPEGQEIAAKNFYRPRDADVAKKYDDAFPKLKLFTIDEVFGGWAKAQKDHFADGGTFDQI-----

General information: TITO was launched using: RESULT: Template: 1SBP.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 : 1795 -121735 -67.82 -401.76 target 2D structure prediction score : 0.64 Monomeric hydrophicity matching model chain A : 0.87 3D Compatibility (PKB) : -67.82 2D Compatibility (Sec. Struct. Predict.) : 0.64 1D Compatibility (Hydrophobicity) : 0.87 QMean score : 0.544

(partial model without unconserved sides chains): PDB file : Tito_1SBP.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1SBP-query.scw PDB file : Tito_Scwrl_1SBP.pdb: