Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKIVIVGGVAGGMSAATRLRRLMEDAEIVVFEKGPYVSFANCGLPYYLSGEISERENLLVQTPESLSARFCLDVRPNHEVTAIFPENK--TVEVVHEGQKHIEQYDALVLSPGAKPVVPSIPGITEADN--VFSIRNVPDIDKVMHALE-KQPKRAVIVGAGFIGLEMAENLKRRGLEVMVIEQAPHILPTLDEEMAAFIEKELSHQGVEV------------ITSHAV--AGFEDHGKR-------LRLDDGRTIPADLVILSIGVRPDNQLAVTAGIELGIRGGILVDERYQTNIPDIYAVGDAIVVKQQITGKDALISLASPANRQGRQVADTISGISRRNQGGIGTAIIRTFGMTAASTGLSERTAKENELSFEVIHVSGKDHASYYPEATDILLKLIFHPETGEIYGAQGVGAKGVDKRIDILATAIKGHLTIFDLPELELTYAPPFGSAKDPVNMLGYAAMNIAEGLSETVQWHELPTELAKGKILLDVRTAEELEKGKFKEAKHIPLNELRDRLNELDSQQEYIVSCHSGLRSYLAERILKQSGYHVKNLDGAFSLYQTVRPEELIYPNK 3NTD Chain:B ((3-562)) -KILIIGGVAGGASAAARARRLSETAEIIMFERGEYVSFANCGLPYHISGEIAQRSALVLQTPESFKARFNVEVRVKHEVVAIDRAAKLVTVRRLLDGSEYQESYDTLLLSPGAAPIVPPIPGV---DNPLTHSLRNIPDMDRILQTIQMNNVEHATVVGGGFIGLEMMESLHHLGIKTTLLELADQVMTPVDREMAGFAHQAIRDQGVDLRLGTALSEVSYQVQTHVASDAAGEDTAHQHIKGHLSLTLSNGELLETDLLIMAIGVRPETQLARDAGLAIGELGGIKVNAMMQTSDPAIYAVGDAVEEQDFVTGQACLVPLAGPANRQGRMAADNMFGREERYQGTQGTAICKVFDLAVGATGKNEKQLKQAGIAFEKVYVHTASHASYYPGAEVVSFKLLFDPVKGTIFGAQAVGKDGIDKRIDVMAVAQRAGMTVEQLQHLELSYAPPYGSAKDVINQAAFVASNIIKGDATPIHFDQIDN-LSEDQLLLDVRNPGELQNGGLEGAVNIPVDELRDRMHELPKDKEIIIFSQVGLRGNVAYRQLVNNGYRARNLIGGYRTYK------------

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 B - contact count / total energy / energy per contact / energy per residue : 3012 -49405 -16.40 -92.52 target 2D structure prediction score : 0.55 Monomeric hydrophicity matching model chain B : 0.82 3D Compatibility (PKB) : -16.40 2D Compatibility (Sec. Struct. Predict.) : 0.55 1D Compatibility (Hydrophobicity) : 0.82 QMean score : 0.482

(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: