Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MIQDSMQFAAVESGLRFYQAYDQSLSLWPIESEAFYVSTRFGKTHIIASGPKDAPSLILLHGGLFSSAMWYPNIAAWSSQFRTYAVDIIGDKNKSIPSAAMETRAD-FAEWMKDVFDSLGLETAHLAGLSLGGSHIVNFLLRAPERVERAVVISPAEAFISFHPDVYKYAAELTGARG---AESYIKWITGDSYDLHPLLQRQIVAGVEW--------------QDEQRSLKPTENG-----FPY-----VFTDQELKS----------IQVPVLLMFGEHEAMYHQQMAFERASVLVPGIQAEIVKNAGHLLSLEQPEYVNQRVLSFLCGGIK 4NZZ Chain:A ((5-285)) -----------------------------------YINVNGVNLHYISKGQGEL--MLFLHGFPDFSHIWRHQIDEFSNDFHTVALDLRGYNLSEKPSGLESYEIDVLVEDIRQVIEGLGYSSCTLVVHDWGAGIGWTFAYRYPEYVQKLI------AFNGPHP--YTFMRELRTNKNQQKASEYMKWFQ--KQEVQDYMERDNFSGLRKLVIDPGVKKGYLTADDVQAYMNSWENGSVLSMLSYYRNLKIFTEEDLRRKSLFPLEEEVLNIPVQIIWGNQDPTFMPE-NLDGIEEYVPNISVHRLAEASHAPQHEKPQEVNNVMWNFL-----

General information: TITO was launched using: RESULT: Template: 4NZZ.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 : 1251 -155892 -124.61 -641.53 target 2D structure prediction score : 0.52 Monomeric hydrophicity matching model chain A : 0.69 3D Compatibility (PKB) : -124.61 2D Compatibility (Sec. Struct. Predict.) : 0.52 1D Compatibility (Hydrophobicity) : 0.69 QMean score : 0.397

(partial model without unconserved sides chains): PDB file : Tito_4NZZ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4NZZ-query.scw PDB file : Tito_Scwrl_4NZZ.pdb: