Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKAEGLSGGYGDSRLINNVSLTVEKGEFLGILGPNGSGKTTLLHLLTGTLPAKKGRVYLAGKLLADYKPKELAQIMAV----LPQKMDQAFTFTVEETVAFGRY-----PFQTGLFRQQTEKGEAIVQEA---MEQTGVADFAQKPIRELSGGEQQRVYLAQALAQQPRILFLDEPTNFLDLAYQKDLLDLIKRLTRESGLAAVSVFHDLNTASLYCDGLMFMKNGTAGPKQKPEYAVTEQSIKAVYDTDVTALVHQSSPKPMIVIQPEKDSVKRQSIPFEALLQAGRDDILLQTEIPLRTLSSTPIGAGFSWSRTLIHKRLPDQPDPIEGLTACLSESGFQLQETCAMASSERLDRFVYRTYEDGELSVFICVQTGFSIWILINGYAADQFFIKALMAAEAERTKVLGDGGGTGDILIAATQTQQSENIEQRLNQLIKKGTAECIKEAAELFE 1G6H Chain:A ((8-229)) LRTENIVKYFGEFKALDGVSISVNKGDVTLIIGPNGSGKSTLINVITGFLKADEGRVYFENKDITNKEPAELYHYGIVRTFQTPQPLKE---MTVLENLLIGEICPGESPLNSLFYKKWIPKEEEMVEKAFKILEFLKLSHLYDRKAGELSGGQMKLVEIGRALMTNPKMIVMDEPIAGVAPGLAHDIFNHVLEL-KAKGITFLIIEHRLDIVLNYIDHLYVMFNG------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 1G6H.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 : 1025 -48002 -46.83 -228.58 target 2D structure prediction score : 0.61 Monomeric hydrophicity matching model chain A : 0.66 3D Compatibility (PKB) : -46.83 2D Compatibility (Sec. Struct. Predict.) : 0.61 1D Compatibility (Hydrophobicity) : 0.66 QMean score : 0.493

(partial model without unconserved sides chains): PDB file : Tito_1G6H.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1G6H-query.scw PDB file : Tito_Scwrl_1G6H.pdb: