Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNDQAFTFQTLHPDTIMDALFEQGIRVDSGLTPLNSYENRVYQFQDEDRQRFVVKFYRPQRWSAEQIQEEHQFAHDLLDDDVPVAAPLKFNNQTLLTHEGFYYAVFPSLGGRQFEADN---IDQMEWVARYLGRIHQTG-RKEDFIARPTIGIQEYLLEPRQVFETSALIPKALKDNFLNA-TDKLIDAVKTCWRDEISVLRLHGDCHAGNILWRDG--PLFVDLDDARMGPAVQDLWMLLNG-DKAEQRMQLETIIEAYEEFSPFNSDEIVLIEPLRAMRFVYYLAWLIRRWDDPAFPRNFPWLTGEDYWRSQISTFTEQVKVLKEPPLQLTPMY 1ND4 Chain:A ((10-264)) ---------GS-PAAWVERLFGYDWAQQTI----GCSDAAVFRLSAQGRPVLFVKTDLSG--ALNELQDEAARLSWLATTGVPCAAVL-----DVVTEAGRDWLLLGEVPGQDLLSSHLAPAEKVSIMADAMRRLHTLDPATCPFDH----QAKHRIERARTRMEAGLVDQDDLDEEHQGLAPAELFARLKARMPDGEDLVVTHGDACLPNIMVENGRFSGFIDCGRLGVADRYQDIALATRDIAEELGGEWADRFLVLYGIAAP-DSQRIAFYRLLDEFF-------------------------------------------------------

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 : 1163 -37388 -32.15 -151.37 target 2D structure prediction score : 0.65 Monomeric hydrophicity matching model chain A : 0.65 3D Compatibility (PKB) : -32.15 2D Compatibility (Sec. Struct. Predict.) : 0.65 1D Compatibility (Hydrophobicity) : 0.65 QMean score : 0.296

(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: