Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTAQSSFLQLNSIFISILIEAIPFILIGVILS----------GIIQMFVSEEMIARIMPKNR--FLAVLF--------GALAGVLFPACECGIIPITRRLLL---KGVPLHAGVAFMLTAPIINPIVLFSTYIA--FGNRWSVVFYRGGLALAVSLII------GVILSYQFKDNQLLKPDEPGHHHHHHGTLLQKLGGTLRHAIDEFFS-VGKYLIIGAFIAAAMQTYVKTSTLLAIGQNDVSSSLVMMGLAFVLS-------------LCSEVDAFIASSFSSTFSLGSLIAFLVF--------GAMVDIKN-LLMMLAAFKKRFVFLLITYIVVIVLAGSLLVKG-------- 2E1M Chain:A ((4-372)) MTYEQLARELLLVGPAPTNEDLKLRYLDVLIDNGLNPPGPPKRILIVGAGIAGLVAGDLLTRAGHDVTILEANANRVGGRIKTFHAKKGEPSPFADPAQYAEAGAMRLPSFHPLTLALIDKLGLKRRLFFNVDIDPQTGNQDAPVPPVFYKSFKDGKTWTNGAPSPEFKEPDKRNHTWIRTNREQVRRAQYATDPSSINEGFHLTGCETRLTVSDMVNQALEPVRDYYSVKQDDGTRVNKPFKEWLAGWADVVRDFDGYSMGRFLREYAEFSDEAVEAIGTIENMTSRLHLAFFHSFLGRSDIDPRATYWEIEGGSRMLPETLAKDLRDQIVMGQRMVRLEYYDPGPAVAIQTVPE

General information: TITO was launched using: RESULT: Template: 2E1M.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 : 1063 -137428 -129.28 -467.44 target 2D structure prediction score : 0.35 Monomeric hydrophicity matching model chain A : 0.59 3D Compatibility (PKB) : -129.28 2D Compatibility (Sec. Struct. Predict.) : 0.35 1D Compatibility (Hydrophobicity) : 0.59 QMean score : 0.128

(partial model without unconserved sides chains): PDB file : Tito_2E1M.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2E1M-query.scw PDB file : Tito_Scwrl_2E1M.pdb: