Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MPKTLTEKLNAIKATGKGIFVPYIMAGDHEKGLDGLGETIHFLEDLGVSAIEVGIPFSDPVADGPVIEEAGLRSLAHGTSTQALVETLKTI---ETEIPLVIMTYFNPLFQYGVENFVKDLADTAVKGLIIPDLPHEHANFVEPFLADTDIALIPLVSLTTGIERQKELIEGAEGFVYAVAINGVTGKSGNYRADLDKHLAQLHQVADIPVLTGFGVSSQADLERFN-AVSDGVIVGSKIVKALHQGEPIQDFIRQAVAYQK 3VND Chain:E ((1-245)) MSNRYQAKFAALKAQDKGAFVPFVTIGDPS--PELSLKIIQTLVDNGADALELGFPFSDPLADGPVIQGANLRSLAAGTTSSDCFDIITKVRAQHPDMPIGLLLYANLVFANGIDEFYTKAQAAGVDSVLIADVPVEESAPFSKAAKAHGIAPIFIAPPNADADTLKMVSEQGEGYTYLLSRAGVT--------PIENILTQLAEFNAPPPLLGFGIAEPEQVRAAIKAGAAGAISGSAVVKIIEAH---------------

General information: TITO was launched using: RESULT: Template: 3VND.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain E - contact count / total energy / energy per contact / energy per residue : 1311 -125580 -95.79 -538.97 target 2D structure prediction score : 0.77 Monomeric hydrophicity matching model chain E : 0.77 3D Compatibility (PKB) : -95.79 2D Compatibility (Sec. Struct. Predict.) : 0.77 1D Compatibility (Hydrophobicity) : 0.77 QMean score : 0.625

(partial model without unconserved sides chains): PDB file : Tito_3VND.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3VND-query.scw PDB file : Tito_Scwrl_3VND.pdb: