Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MWQAISHLLSEQLGEGEIELRNELPGGEIHAAWHLRYAGRD-LFVKCDERELLPIFTAEADQLELLSRSKTVTVPQVWAVGSDRDYSFLVMEFLPARPLD------AHNAFILGQQLARLHQWSDQPQFGLDFDNDLSTTPQPNAWQRRWSTFFAEQRIGWQLELAAEKGLEFGNIDAI-----VEHIQQRLASHQPQ---PSLLHGDLWSDNCALGPD-GPYIFDPACY-WGDRECDLAMLPLH--PEQPPQIYDGYQSVLPLPQGFLERQPVYQLYTLMNRAILFGGEHLVNAQRALERVLAA 1ND4 Chain:A ((10-264)) ---GSPAAWVERLFGYDWAQQTIGCSDA--AVFRLSAQGRPVLFVKTDLSGALNELQDEAARLSWLATTG-VPCAAVLDVVTEAGRDWLLLGEVPGQDLLSSHLAPAEKVSIMADAMRRLHTLDPAT------------CPFDHQ---------AKHRIERARTRMEAGLVDQDDLDEEHQGLAPAELFARLKARMPDGEDLVVTHGDACLPNIMVENGRFSGFIDCGRLGVADRYQDIALATRDIAEELGGEWADRFLVLYGIAAPDSQRIAFYRLLDEFF-----------------------

General information: TITO was launched using: RESULT: Template: 1ND4.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 : 1089 -19851 -18.23 -84.11 target 2D structure prediction score : 0.61 Monomeric hydrophicity matching model chain A : 0.68 3D Compatibility (PKB) : -18.23 2D Compatibility (Sec. Struct. Predict.) : 0.61 1D Compatibility (Hydrophobicity) : 0.68 QMean score : 0.390

(partial model without unconserved sides chains): PDB file : Tito_1ND4.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1nd4-query.scw PDB file : Tito_Scwrl_1ND4.pdb: