Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MVVAWHRPTKAVIHKKAITENVANEVARLPQGKELFAVVKANGYGHGAIETAEAAVAGGASGFCVSNLDEGVELREAGFTQPILILNMVPYDALTVAVAHDLSVTAGTREWLQAAAAVLEKSKLETPLSIHLKADTGMGRIGFCTPE-EVKEAAAFIKE-SRVLEWEGLFTHFSTADQADDTYWNLQKERFIEVLKKLPELP-RYVHVSNSATALWHDE-T--IGNMIRYGVAMYGLNPSGHALPEVYPLQPALELVSELIQVKKLPAGEGIGYGETYITPEAEWIGTIPIGYADGWPRKMQGFSLLVEGNYCETIGRVCMDQLMIRLPQEFPVGTKVTLIGKNADKEITMQDIADQLGTIHYEVACGLGQRIPREYQE 3CO8 Chain:B ((8-371)) ------RSTRIEFSKSSLAYNV-QYTKQVSGAKTLWLAVKSNAYGHGLLQVSKIARECGVDGLAVSVLDEGIAIRQAGIDDFILILGPIDVKYAPIASKYHFLTTVSSLDWLKSADKILG----KEKLSVNLAVDTGMNRIGVRS-KKDLKDEIEFLQEHSDHFSYDGIFTHFASSDNPDDHYFQRQKNRWYELIDGL--IMPRYVHVMNSGAAMYHSKELPGCNSIARVGTVVYGVEPSEGVLGPIDKLKPVFELKSALTFVKK-------------------WIGTLPIGYGDGWLAEYQDFQLLIDGQKCRQVGQIAMDQMMVALPHEYPIGTEVTLIGKSGKYENTLYDLHKHSGVPPWKITVAFSDRLKRMVV-

General information: TITO was launched using: RESULT: Template: 3CO8.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 : 1915 -88291 -46.10 -260.45 target 2D structure prediction score : 0.60 Monomeric hydrophicity matching model chain B : 0.80 3D Compatibility (PKB) : -46.10 2D Compatibility (Sec. Struct. Predict.) : 0.60 1D Compatibility (Hydrophobicity) : 0.80 QMean score : 0.526

(partial model without unconserved sides chains): PDB file : Tito_3CO8.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3CO8-query.scw PDB file : Tito_Scwrl_3CO8.pdb: