Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNQIVEDAGSLDVFRWPSSSPPSPENLEHAARLCQGALGSTS-----VAVVATPYNHAGWSAQDCIKVSFPS-------ENRSFIAKVPRLVDENSATACKNEAQRASWASQHQIGPAVIAIDDLSGAFAMEFLSGQTLSAQMMLQDHLKTCTIGLLRRIHDAPSQHYM---QIYNAPAAVKRMLQAADKE----RLLDG------DDGLLLESLITWTFQKVGCQPTFQTLVPCHNDFHSQNIMLDQQGTLWAIDFEDCDLGDPMWDLGYLTANMGL------------------EPL--D-LAGIY-GCNME-----------Q-KKRLEVFYYLAIGHCAVWSAIHGPLWT---QHYRDCMLRLRRGWLRL 1NW1 Chain:B ((50-415)) -----------------------PELKERAHMLCARFLGGAWKTVPLEHLRISRIK-GGMS-NMLFLCRLSEVYPPIRNEPNKVLLRVYFNPETES--HLVAESVIFTLLSERHLGPKLYGIFS--GGRLEEYIPSRPLSCHEISLAHMSTKIAKRVAKVHQLEVPIWKEPDYLCEALQRWLKQLTGTVDAEHRFDLPEECGVSSVNCLDLARELEFLRAHIS---LSKSPVTFCHNDLQEGNILLPK--RLVLIDFEYASYNYRAFDFANHFIEWTIDYDIDEAPFYKIQTENFPENDQMLEFFLNYLREQGNTRENELYKKSEDLVQETLPFVPVSHFFWGVWGLLQVELSPVGFGFADYGRDRLSLY----

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 : 1134 -27914 -24.62 -101.87 target 2D structure prediction score : 0.61 Monomeric hydrophicity matching model chain B : 0.64 3D Compatibility (PKB) : -24.62 2D Compatibility (Sec. Struct. Predict.) : 0.61 1D Compatibility (Hydrophobicity) : 0.64 QMean score : 0.215

(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: