Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSIPQSLLEQSIQINIQQALQEDIGDGDITAMLTPEDEQATATIISREDMVLAGQPWVNALISAYDNTVQVTWLKQEGDRVAANEAFLKLAGSARSLLTVERPALNFIQTLSAVATKTAEYVQHLEGLNTKLLDTRKTLPGLRIAQKYAVTVGGGQNHRLGLFDAFLIKENHIMAAGGIAQAIAKAHQIAPGKPVEVEVETWDELNQALEAGADIVMLDNFSQQQMIDAVKHVAGRCKLEASGNITIENLREVATTGVDYISMGVLTKDVKAVDLSMRFNA 3GNN Chain:B ((21-295)) ---YGAAFDAAIARNVADALAEDVGSGDQ--------APRRARVIVREDAVLCGVPWFDAVVRAVDPSIEVDWRHREGDRMSADSTVCELRGPARALLTAERNALNFLQLLSGVASATRQYVDRIADTRARILDTRKTLPGLRLAQKYAVRVGGGA--------------------------------------VQIEVETLDQLRTALAHGARSVLLDNFTLDMMRDAVRVTEGRAVLEVSGGVNFDTVRAIAETGVDRISIGALTKDVRATDYSMR---

General information: TITO was launched using: RESULT: Template: 3GNN.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 1157 -137458 -118.81 -600.25 target 2D structure prediction score : 0.64 Monomeric hydrophicity matching model chain B : 0.79 3D Compatibility (PKB) : -118.81 2D Compatibility (Sec. Struct. Predict.) : 0.64 1D Compatibility (Hydrophobicity) : 0.79 QMean score : 0.468

(partial model without unconserved sides chains): PDB file : Tito_3GNN.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3GNN-query.scw PDB file : Tito_Scwrl_3GNN.pdb: