Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MITLKSAREIEAMDKAGDFLASIHIGLRDLIKPGVDMWEVEEYVRRRCKEENFLPLQIGVDGAMMDYPYATCCSLNDEVAHAFPRHYILKDGDLLKVDMVLGGPIAKSDLNVSKLNFNNVEQMKKYTQSYSGGLADSCWAYAVGTPSEEVKNLMDVTKEAMYKGIEQAVVGNRIGDIGAAIQEYAESRGYGVVRDLVGHGVGPTMHEEPMVPNYGIAGRGLRLREGMVLTIEPMINTGDWEIDTDMKTGWAHKTIDGGLSCQYEHQFVITKDGPVILTSQGEEGTY 4HXX Chain:A ((47-297)) QIKLLSSEDIEGMRLVCRLAREVLDVAAGMIKPGVTTEEIDHAVHLACIARNCYPSPLN----YYNFPKSCCTSVNEVICHGIPDRRPLQEGDIVNVDITL---------------------------YRNGYHGDLNETFFVGEVDDGARKLVQTTYECLMQAIDAVKPGVRYRELGNIIQKHAQANGFSVVRSYCGHGIHKLFHTAPNVPHYAKNKAVGVMKSGHVFTIEPMICEGGWQ-DETWPDGWTAVTRDGKRSAQFEHTLLVTDTGCEILTRRLDS---

General information: TITO was launched using: RESULT: Template: 4HXX.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 : 1515 -153848 -101.55 -612.94 target 2D structure prediction score : 0.69 Monomeric hydrophicity matching model chain A : 0.74 3D Compatibility (PKB) : -101.55 2D Compatibility (Sec. Struct. Predict.) : 0.69 1D Compatibility (Hydrophobicity) : 0.74 QMean score : 0.503

(partial model without unconserved sides chains): PDB file : Tito_4HXX.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4HXX-query.scw PDB file : Tito_Scwrl_4HXX.pdb: