Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSARIAERAMAALGRSGMGARATRVGGGRASEVFLVQGG---------DSELIAYWLPEG-GAREARRRFALLERMAGQFRLAPRPLAVDEDGDAALLLVEKLEGVAPAACGPLAPDTVRRLAENFIGTLASLHALEVAPADRPPDYLRRILSEWRRRWNAEEA-------GGAI------DADFSAVADWLTERMP-ETAPAAWLHNDYKLDNILVDPGDPARVVGVVDWELAAVGHPLADLGAALAYWIESRDSSLLRLDAPGPSCAPGAPTREALVDLYAAAAGRE------------VTEPAYWYAYGLLRLAVITQQLALRRRDEGQRVPRAKLIVRWLLDRAAEACGGGRL 1NW1 Chain:A ((77-391)) --------------------RISRIKGGMSNMLFLCRLSEVYPPIRNEPNKVLLRVYFNPETESHLVAESVIFTLLSERHLG-PKLYGIFS----GGRLEEYIPSRPLSCH----EISLAHMSTKIAKRVAKVHQLEVPIWKEP-DYLCEALQRWLKQLTGTVDAEHRFDLPEECGVSSVNCLDLARELEFLRAHISLSKSPVTFCHNDLQEGNILLPK-----RLVLIDFEYASYNYRAFDFANHFIEWTIDYDIDEAPFYKIQTENFPENDQMLEFFLNYLREQGNTRENELYKKSEDLVQETLPFVPVSHFFWGVWG-------------------------------------

General information: TITO was launched using: RESULT: Template: 1NW1.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 : 978 -2571 -2.63 -10.32 target 2D structure prediction score : 0.71 Monomeric hydrophicity matching model chain A : 0.66 3D Compatibility (PKB) : -2.63 2D Compatibility (Sec. Struct. Predict.) : 0.71 1D Compatibility (Hydrophobicity) : 0.66 QMean score : 0.320

(partial model without unconserved sides chains): PDB file : Tito_1NW1.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1nw1-query.scw PDB file : Tito_Scwrl_1NW1.pdb: