Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence --------MLDQQQIIAVAEAVLTQRYGGQQHLTEPEELSGASGTVVLRLRVANN----PFLSYRSVVVKYSPQTDDPIDDAAFLREVVAYQFTTSLSEEARPGPVMLGYDLEQHAIILTDSGDGDTLATLLENSDEEQRIRLLRNLGTSLGKMHAGTAGAELSFNTLLARMVRARDGAREIQAMRESMLENRILDG-LEIVRRAGIDVPADVADIAGTVQVHMLHGESRAFTPFDLSPDNIIFADRTQFLDYEWAGFRDVIFDVAGVIAGFPQYISARPISEAETKVFLEAWIAEVAGVWPALQNTETLHSRITAALVGWAFFSVSLLYLDGEEPRGTTRYGG-GWIMADNGNYELVQDPEALEEDVERGASVLRSPAHT--DFTAVEKAIR----RDIGDAFSALAWYAAAGDTPRNA-VIADFASHVAERLK 4JRB Chain:A ((3-416)) HMSKGEELFTGVVPILVELDGDV---NGHKFSVSGEGEGDATYGKLTLKFICTTGKLPVPWPTLVTTFVQCFARYPDHMKQHDFFKSAMPE-----------------GYVQERTIFF---KDDGNYKTRAEVKFEGDTLVNRIELKGIDF-KEDGNILGHKLEYN-YNSHNVYIMADKQKNGIKVNFKIRHNIEDGSVQLADHYQQNTPIGDGPV-------LLPDNHYLSTQSALSKDPNEKRDHMVLLEFVTAAGIAAARNLQDDLQDFLALIPVDQIIAIATDYLAND--AEVQAAVAYLQSDE--FETIVVALDALPELQNFLNFLEANGLNAIDFLNGIHHIRRGVGITGLIDDVLAILP-IEDLKALFNEKLETSPDFLALYNAIRSPEFQSIVQTLNAMPEYQNLLQKLREKGVDVDKIIELIRALF

General information: TITO was launched using: RESULT: Template: 4JRB.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 : 1771 45220 25.53 119.95 target 2D structure prediction score : 0.41 Monomeric hydrophicity matching model chain A : 0.65 3D Compatibility (PKB) : 25.53 2D Compatibility (Sec. Struct. Predict.) : 0.41 1D Compatibility (Hydrophobicity) : 0.65 QMean score : 0.020

(partial model without unconserved sides chains): PDB file : Tito_4JRB.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4jrb-query.scw PDB file : Tito_Scwrl_4JRB.pdb: