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:B ((7-315)) -----LVTGGMGFIGSNFIRYILEKHPDWEVINIDKLGYGSNPANLKDLEDDPRYTFVKGDVADYELV-KELVRKVDGVVHLAAESHVDRSISSPEIFLHSNVIGTYTLLESIRRENPEVRFVHVSTDEVYGDILKG--SFTENDRLMPSSPYSATKAASDMLVLGWTRTYNLNASITRCTNNYGPYQFPEKLIPKTIIRASLGLKIPIYGTGKNVRDWLYVEDHVRAIELVLLKGESREIYNISAGEEKTNLEVVKIILRLMGKGEELIELVEDRPGHDLRYSLDSWKITRDLKWRPKYTFDEGIKKTIDWYLKNE-

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 B - contact count / total energy / energy per contact / energy per residue : 1783 27844 15.62 90.99 target 2D structure prediction score : 0.64 Monomeric hydrophicity matching model chain B : 0.86 3D Compatibility (PKB) : 15.62 2D Compatibility (Sec. Struct. Predict.) : 0.64 1D Compatibility (Hydrophobicity) : 0.86 QMean score : 0.480

(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: