Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTTTERAEFDADAAEAILRRACAVADLDPDGIEILRL-GDHAVFRIDG-----------GRVISRVGRGADRLASVRREVAVARWLADKEYPAARLVTDAEQPIVIEDHPVTFWEGLADGDT-------YASTAEMGVLLRRLHELEAPPFSLPR--LQPFDKVASRLER--AV-----IPES------TRAFLRSMARDLEAEYGRLEFSLPSGHLHGDFNVGNVLRDAAGHPRVIDLDGFATGPREWDLMQTAMYYDSF--------------GWHTEAEYADFVVGYGFDV-------------REWAGYAVLRSVRELLMVTWLSQNAGANP---RAADEVQKRVATLRSGGSRRDWAPF 1NW1 Chain:B ((75-416)) ----------------------------HLRISRIKGGMSNMLFLCRLSEVYPPIRNEPNKVLLRVYFNPETESHLVAESVIFTLLSERHLG-PKLYGI--------FSGGRLEEYIPSRPLSCHEISLAHMSTKIAKRVAKVHQLEVPIWKEPDYLCEALQRWLKQLTGTVDAEHRFDLPEECGVSSVNCLDLARELEFLRAHISL--SKSPVTFCHNDLQEGNILLPK--RLVLIDFEYASYNYRAFDFANHFIEWTIDYDIDEAPFYKIQTENFPENDQMLEFFLNYLREQGNTRENELYKKSEDLVQETLPFVPVSHFFWGVWGLLQVELSPVGFGFADYGRDRLSLYF-----------

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 B - contact count / total energy / energy per contact / energy per residue : 967 -16292 -16.85 -65.69 target 2D structure prediction score : 0.66 Monomeric hydrophicity matching model chain B : 0.64 3D Compatibility (PKB) : -16.85 2D Compatibility (Sec. Struct. Predict.) : 0.66 1D Compatibility (Hydrophobicity) : 0.64 QMean score : 0.340

(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: