Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKVVVIGGVAGGPSFATRFRRLNEAHEIIIYERGENISYASCALPYYLGGVITDRDSLIERTPEILKTKNNIDVFTKHEVTAIDPSTKRLTVKDLSTNEEIKTDYDKLIISSGARPDYPDIPGVFEAENGFVLRSVTDADRIKSFLEEKNPQHVVILGAGVMGLELAENFKHRGLDVTLIDQLPQVAFPYDPEIANLVYDKLLKEGLAVHLETRVTEIRDKG--------------------R-EIVLSDGSVLSADMLIFAVGVSPKNEVVKATGIQLSDTGQIIVDDQLQTNLPDIYAIGDIIETTSVVTGQPIQSMLSSAANRQGHMLADILNGTPMRYRGYIGAGVAKIFDHTASYAGMTEHELKASGITNYKTVFITPFDHAYFYPEATRLNLKLIFDADSGRILGGQAFGEKGVDKRMGELSVAITGNLTVFDLPDLELPYSPPYSTTRDPLNIAGYVAINQMTNIVETIKASDIPENDLKEAFFLDIREPNKAPSGSISATKNIPMNELRDRINEIPKDKKVYITFRRGLNTYTSARILAGLGIKAILIEE 3NTD Chain:A ((2-556)) KKILIIGGVAGGASAAARARRLSETAEIIMFERGEYVSFANCGLPYHISGEIAQRSALVLQTPESFKARFNVEVRVKHEVVAIDRAAKLVTVRRLLDGSEYQESYDTLLLSPGAAPIVPPIPGVD-NPLTHSLRNIPDMDRILQTIQMNNVEHATVVGGGFIGLEMMESLHHLGIKTTLLELADQVMTPVDREMAGFAHQAIRDQGVDLRLGTALSEVSYQVQTHVASDAAGEDTAHQHIKGHLSLTLSNGELLETDLLIMAIGVRPETQLARDAGLAIGELGGIKVNAMMQTSDPAIYAVGDAVEEQDFVTGQACLVPLAGPANRQGRMAADNMFGREERYQGTQGTAICKVFDLAVGATGKNEKQLKQAGIA-FEKVYVHTASHASYYPGAEVVSFKLLFDPVKGTIFGAQAVGKDGIDKRIDVMAVAQRAGMTVEQLQHLELSYAPPYGSAKDVINQAAFVASNIIKGDATPIHFDQIDNL-SEDQLLLDVRNPGELQNGGLEGAVNIPVDELRDRMHELPKDKEIIIFSQVGLRGNVAYRQLVNNGYRARNLIG

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 : 2995 -99434 -33.20 -186.21 target 2D structure prediction score : 0.63 Monomeric hydrophicity matching model chain A : 0.80 3D Compatibility (PKB) : -33.20 2D Compatibility (Sec. Struct. Predict.) : 0.63 1D Compatibility (Hydrophobicity) : 0.80 QMean score : 0.509

(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: