Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MIQDSMQFAAVESGLRFYQAYDQSLSLWPIESEAFYVSTRFGKTHIIASGPKDAPSLILLHGGLFSSAMWYPNIAAWSSQFRTYAVDIIGDKNKSIPSA-AMETRADFAEWMKDVFDSLGLETAHLAGLSLGGSHIVNFLLRAPERVERAVVISPAEAFISFHP-DV-YK-YA---AEL-TGA-R---GA-----ESYIKWITGD---SYDLH-PLLQRQIVAGVE-WQDEQRSLKPTENGFPYVF-----T-DQELKSIQVPVLLMFGEHEAMYHQQMAFERASVLVPGIQAEIVKNAGHLLSLEQPEYVNQRVLSFLCGGIK 4INZ Chain:A ((19-304)) --------------------------------SKQYINVNGVNLHYISKGQ--GELMLFLHGFPDFSHIWRHQIDEFSNDFHTVALDLRGYNLSEKPSGLESYEIDVLVEDIRQVIEGLGYSSCTLVVHDWGAGIGWTFAYRYPEYVQKLIAFNGPHPYTFMRELRTNKNQQKASEYAKWFQKQEVQDYMERDNFSGLRKLVIDPGVKKGYLTADDVQAYMNSWENGSVLSMLSYYRNLKIFTEEDLRRKSLFPLEEEVLNIPVQIIWGNQDPTFMPEN-LDGIEEYVPNISVHRLAEASHAPQHEKPQEVNNVMWNFLNK---

General information: TITO was launched using: RESULT: Template: 4INZ.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 : 1423 -161741 -113.66 -626.90 target 2D structure prediction score : 0.54 Monomeric hydrophicity matching model chain A : 0.65 3D Compatibility (PKB) : -113.66 2D Compatibility (Sec. Struct. Predict.) : 0.54 1D Compatibility (Hydrophobicity) : 0.65 QMean score : 0.390

(partial model without unconserved sides chains): PDB file : Tito_4INZ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4INZ-query.scw PDB file : Tito_Scwrl_4INZ.pdb: