Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence ---------QI-GKWVLSK-EQIDALFFYQCQV--TIHYPGAERGKLLKYLAE-PR----EP--IPLPKFQGKLYYAISDSGCKYREYSKGDPWPKGL------- 1SMP Chain:I ((1-100)) SSLRLPSAAELSGQWVLSGAEQHCDIRLNTDVLDGTTWKLAGDTACLQKLLPEAPVGWRPTPDGLTLTQADGSAVAFFSRNRDRYEHKL-----VDGSVRTLKKK

General information: TITO was launched using: RESULT: Template: 1SMP.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain I - contact count / total energy / energy per contact / energy per residue : 272 -4339 -15.95 -59.44 target 2D structure prediction score : 0.51 Monomeric hydrophicity matching model chain I : 0.68 3D Compatibility (PKB) : -15.95 2D Compatibility (Sec. Struct. Predict.) : 0.51 1D Compatibility (Hydrophobicity) : 0.68 QMean score : 0.266

(partial model without unconserved sides chains): PDB file : Tito_1SMP.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1smp-query.scw PDB file : Tito_Scwrl_1SMP.pdb: