Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSDGSASSSSPPSLSQPINDTTPRRLLTLCSVGVARPFQRKRWSPSLLRLSP----WTCVKLGT----FRDLCEARTIQFIASNTSIPVPKVYCSFQRRDKRDGTTTTYIVMQRIRGQTLASAWPTLSASSRNKILLQLRHFVQVMRNLPWPKREYKISNVDGGSLWDCRLVSGVDRFGPFKDTLAFHLFLRNGLEKAPPELPEVDEMIKLQARDWGPVVFTHGDLSSLNILVRGDRIVGIVDWETAGWFPPYWEYSTACQVNPRNTFWAEWIDHFLEPWPDALEMERVRQRWWGVI 1ND4 Chain:A ((21-247)) ------------------------------GYDWAQQTI-GCSDAAVFRLSAQGRPVLFVKTDLSGALNELQDEAARLSWLAT-TGVPCAAVLDVVTEAG------RDWLLLGEVPGQDLLSS-----HLAPAEKVSIMADAMRRLHTLDPAT--CPFDHQA-KHRIERARTRMEA--GLV-DQDDLDEEHQG------LAPAELFARLKARMPDGEDLVVTHGDACLPNIMVENGRFSGFIDCGRLGVADRYQDIALATRDIAEE-LGGEWADRFLVLYGIA--------------

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 : 974 -15495 -15.91 -70.75 target 2D structure prediction score : 0.53 Monomeric hydrophicity matching model chain A : 0.67 3D Compatibility (PKB) : -15.91 2D Compatibility (Sec. Struct. Predict.) : 0.53 1D Compatibility (Hydrophobicity) : 0.67 QMean score : 0.308

(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: