Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MAKSYLITGGAGFIGLTFTKLML-RETDARITVLDKLTYASHPEEMEKLKQNSRFRFVKGDISVQEDIDRAFDETYDGVIHFAAESHVDRSISQAEPFITTNVMGTYRLAEAVLKGKAK-KLIHISTDEVYGDLKADDPAFTETTPLSPNNPYSASKASSDLLVLSYVKTHKLPAIITRCSNNYGPYQHSEKMIPTIIRHAKQGLPVPLYGDGLQIRDWLFAEDHCRAIKLILEKGTDGEVYNIGGGNERTNKELASVILKHLG-CEELFAHVEDRKGHDRRYAINASKLKNELGWRQEVTFEEGIARTIQWYTDNDR 2HUN Chain:A ((7-315)) -----LVTGGMGFIGSNFIRYILEKHPDWEVINIDKLGYGSNPANLKDLEDDPRYTFVKGDVADYELV-KELVRKVDGVVHLAAESHVDRSISSPEIFLHSNVIGTYTLLESIRRENPEVRFVHVSTDEVYGDILKG--SFTENDRLMPSSPYSATKAASDMLVLGWTRTYNLNASITRCTNNYGPYQFPEKLIPKTIIRASLGLKIPIYGT---VRDWLYVEDHVRAIELVLLKGESREIYNISAGEEKTNLEVVKIILRLMGKGEELIELVEDRPGHDLRYSLDSWKITRDLKWRPKYTFDEGIKKTIDWYLKNE-

General information: TITO was launched using: RESULT: Template: 2HUN.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 : 1701 25196 14.81 83.15 target 2D structure prediction score : 0.63 Monomeric hydrophicity matching model chain A : 0.86 3D Compatibility (PKB) : 14.81 2D Compatibility (Sec. Struct. Predict.) : 0.63 1D Compatibility (Hydrophobicity) : 0.86 QMean score : 0.479

(partial model without unconserved sides chains): PDB file : Tito_2HUN.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2HUN-query.scw PDB file : Tito_Scwrl_2HUN.pdb: