Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKRLLSTLLIGIMLLTFAPSAFAKQDGKRTSELAHEAKSAVLIERDTGKVLYNKNSNERLAPASMTKIMTMLLIMEALDKGKIKMSDKVRTSEHAASMGGSQIFLEPGEEMTVKEMLKGIAIASGNDASVAMAEFISGSEEEFVKKMNKKAKELGLKNTSFKNPTGLTEEGHYSSAYDMAIMAKELLK-----YESITKFTGTYEDYLRENTDKKFWLVNTNRLIKFYPGVDGVKTGYTGEAKYCLTASAKKGNMRAIAVVFGASTPKERNAQVTKMLDFAFSQYETHPLYKRNQTVAKVKVKKGKQKFIELTTSEPISILTKKGEDMNDVKKEIKMKDN-ISAPIQKGQELGTLVLKKDGEVLAESPVAAKEDMKKAGFITFLKRTMGDWTKFK 1HD8 Chain:A ((16-356)) -----------------------------------DAESYILIDYNSGKVLAEQNADVRRDPASLTKMMTSYVIGQAMKAGKFKETDLVTIGN-----------LKPGMQVPVSQLIRDINLQSGNDACVAMADFAAGSQDAFVGLMNSYVNALGLKNTHFQTVHGLDADGQYSSARDMALIGQALIRDVPNEYSIYKEKEFTFNGIRQLNRNGLLWDNSLN--------VDGIKTGHTDKAGYNLVASATEGQMRLISAVMGGRTFKGREAESKKLLTWGFRFFETVNPLKVGKEFASEPVWFGDSDRASLGVDKDVYLTIPRGR-MKDLKASYVLNSSELHAPLQKNQVVGTINFQLDGKTIEQRPLVVLQEIPEGN----------------

General information: TITO was launched using: RESULT: Template: 1HD8.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 : 1732 33021 19.07 103.84 target 2D structure prediction score : 0.63 Monomeric hydrophicity matching model chain A : 0.73 3D Compatibility (PKB) : 19.07 2D Compatibility (Sec. Struct. Predict.) : 0.63 1D Compatibility (Hydrophobicity) : 0.73 QMean score : 0.521

(partial model without unconserved sides chains): PDB file : Tito_1HD8.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1HD8-query.scw PDB file : Tito_Scwrl_1HD8.pdb: