Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MALRHFLTLRDLSTLELNRILERASELKKMQQSNKVYQPFVGKVLGMIFEKSSTRTRISFEAGINQFGGSAIFLSPRDTQLGRGEPIEDSARVISSMLDIVMIRTFGHDIVERFASYSKVPVINGLTDDHHPCQLLADLQTYIEYRGSIEGKTVAWIGDGNNMCNSYIEAAHMMGFKLKIASPKGYEPKPEFLAE-------FGHCVELFDNAEDAAVNADLIVTDVWASMGQEEEQKLREKAFADFQVNEKLMGLAHPDCLFMHCLPAHRGEEISETMLDHKNAVVWDEAENRLHAQKALMEFLLNENLKKA 1A1S Chain:A ((4-313)) LAGRDLLCLQDYTAEEIWTILETAKMFKIWQKIGKPHRLLEGKTLAMIFQKPSTRTRVSFEVAMAHLGGHALYLNAQDLQLRRGETIADTARVLSRYVDAIMARVYDHKDVEDLAKYATVPVINGLSDFSHPCQALADYMTIWEKKGTIKGVKVVYVGDGNNVAHSLMIAGTKLGADVVVATPEGYEPDEKVIKWAEQNAAESGGSFELLHDPVKAVKDADVIYTDVWASMGQEAEAEERRKIFRPFQVNKDLVKHAKPDYMFMHCLPAHRGEEVTDDVIDSPNSVVWDQAENRLHAQKAVLALVMGGIK---

General information: TITO was launched using: RESULT: Template: 1A1S.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 : 1744 -127091 -72.87 -419.44 target 2D structure prediction score : 0.62 Monomeric hydrophicity matching model chain A : 0.85 3D Compatibility (PKB) : -72.87 2D Compatibility (Sec. Struct. Predict.) : 0.62 1D Compatibility (Hydrophobicity) : 0.85 QMean score : 0.578

(partial model without unconserved sides chains): PDB file : Tito_1A1S.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1A1S-query.scw PDB file : Tito_Scwrl_1A1S.pdb: