Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MPGTPMTVIPTIDIVDALAAEYAAKSPREILELALSQQGEIAISFSGAEDV-VLIDMASRL--------------GKPFRVFSLDTGRLHPETYQFFETVRKHYNINIEICFPDAEAVQSMVNEKGLFSFFKDGHQECCGIRKVQPLRKKLATLDGWITGQRKDQSPGTRTEIPVVQADAGFSGPGKQLIKYNPLANWSSADVWSYIRMMEIPYNPLHERGFVSIGCEPCTRPVLPNQHEREGRWWWEEATQKECGLHAGNLKK 2WSI Chain:A ((54-243)) --------------------------------------GEISFSYNGGKDCQVLLLLYLSCLWEYFFIKAQNSFPMQRLPTVFIDQEETFPTLENFVLETSERYCLSLYESQR------------------VNMADAFRDFIKIYP------ETEAIVIGIRHTDPF-GEALKPIQRTDSNW----PDFMRLQPLLHWDLTNIWSFLLYSNEPICGLYGKGFTSIGGINNSLPNPHLR--------------------------

General information: TITO was launched using: RESULT: Template: 2WSI.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 : 591 -24989 -42.28 -160.19 target 2D structure prediction score : 0.76 Monomeric hydrophicity matching model chain A : 0.63 3D Compatibility (PKB) : -42.28 2D Compatibility (Sec. Struct. Predict.) : 0.76 1D Compatibility (Hydrophobicity) : 0.63 QMean score : 0.476

(partial model without unconserved sides chains): PDB file : Tito_2WSI.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2WSI-query.scw PDB file : Tito_Scwrl_2WSI.pdb: