Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNIVQDKNMLPDDQWIDVCALDDLTPNTGAGALVGGQAVAIFRVGHEKRVYVLSNKDPFSQANVMSRGIIGDLQGERVVASPIYKQHFSLATGRCLEDKDQKLAVYPSKIVDGRVWVNAVPQKTYITNTGVSQDKLRLVLIGNGLAGMRCLEDLLDMVPDRYEVTVIGEEPWGNYNRIMLSPVLSGEKTI-EDIM-LHPPKWYDDKGIKFIAGDKAVKIDRPRKVVYTE---KG--QTVDYDRLILATGSAPFIPPVQGVDLKGVLTFRDIYDVNTMIEYCG--SKNNAVVIGGGLLGLEAAYGLKQRGMNVTVLHLMDRIMERQLDGRASQLLRHSIEQKGIQIITEANTEALIGDEN-----------------GHVKQIRLKDGTVLDADLVVFAVGIRPNIALAQSAGLRC--NRGVLVNDTMQTFDPSIYAVGECIEHRGQT------FGLVEPLWGQAFICATHLAEHGSLTFKAPTVPTQLKVSGVDVFSAGNFEPKDDYE-----DI-ILN-------DEKRQIYKRIIIQ--NDRVIGAVLFGDTED---GMWYAELIADQTPVSSFRNKLLFGRDFALKNAG 3NTD Chain:A ((1-442)) --------------------------------------------------------------------------------------------------------------------------------------MKKILIIGGVAGGASAAARARRLSE-TAEIIMFERGEYVSFANCGLPYHISGEIAQRSALVLQTPESFKARFNVEVRVKHEVVAIDRAAKLVTVRRLLDGSEYQESYDTLLLSPGAAPIVPPIPGVDNPLTHSLRNIPDMDRILQTIQMNNVEHATVVGGGFIGLEMMESLHHLGIKTTLLELADQVMT-PVDREMAGFAHQAIRDQGVDLRLGTALSEVSYQVQTHVASDAAGEDTAHQHIKGHLSLTLSNGELLETDLLIMAIGVRPETQLARDAGLAIGELGGIKVNAMMQTSDPAIYAVGDAVEEQDFVTGQACLVPLAGPANRQGRMAADNMFGR-EERYQGTQGTAICKVFDLAVGATGKNEKQLKQAGIAFEKVYVHTASHASYYPGAEVVSFKLLFDPVKGTIFGAQAVGKDGIDKRIDVMAVAQRAGMTVEQLQHL-------------

General information: TITO was launched using: RESULT: Template: 3NTD.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 : 2145 -26814 -12.50 -68.75 target 2D structure prediction score : 0.63 Monomeric hydrophicity matching model chain A : 0.67 3D Compatibility (PKB) : -12.50 2D Compatibility (Sec. Struct. Predict.) : 0.63 1D Compatibility (Hydrophobicity) : 0.67 QMean score : 0.544

(partial model without unconserved sides chains): PDB file : Tito_3NTD.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3NTD-query.scw PDB file : Tito_Scwrl_3NTD.pdb: