Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MGILEYTSQLDIEFKKALGLIF-K-------QELNLERIKQGEVNYSYKVTSE--------QDIPLYHARIFRYEG-HPDTEKLLWISGELKKRNIPQARILYREKSSINFPNGFMVSNWIEGKNGWQSIKDGAYSLKNFTLETAKILLKIHEIKVASFGWPYGKGWGYYNTYQDRITGLP-NNDEFKKLFNNDY---LKRKYVLNIVSLLLKALEKIPF-PEQPILAHSDPTPDNIIVRNDRSLVLIDWDDSEGSWWVRDYSYLRY-WSD-----------------KPEEIKAGFFSGYGKIDMNE---------SEIEIAELVEWILQSLRLLPYYKFSFADEGKYQKRMTRLKENVRQLKLLV 1NW1 Chain:A ((52-396)) ---------LKERAHMLCARFLGGAWKTVPLEHLRISRIKGGMSNMLFLCRLSEVYPPIRNEPN-KVLLRVYFNPETESHLVAESVIFTLLSERHLG-PKLYGIF-------SGGRLEEYIPSRPLSCHE----ISLAHMSTKIAKRVAKVHQLEVPIWKEPDY-LCEALQRWLKQLTGTVDAEHRF-DLPEECGVSSVNCLDLARE---LEFLRAHISLSKSPVTFCHNDLQEGNILLPK--RLVLIDFEYASYNYRAFDFANHFIEWTIDYDIDEAPFYKIQTENFPENDQMLEFFLNYLREQGNTRENELYKKSEDLVQETLPFVPVSHFFWGVWGLLQVE-----------------------

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 : 1097 -2698 -2.46 -10.14 target 2D structure prediction score : 0.60 Monomeric hydrophicity matching model chain A : 0.64 3D Compatibility (PKB) : -2.46 2D Compatibility (Sec. Struct. Predict.) : 0.60 1D Compatibility (Hydrophobicity) : 0.64 QMean score : 0.323

(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: