Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSMANKVLQLIQESGAKWVDFRFTDTKGKEQHVTYPADSIDEDTFEDGKMFDGSSIAGWKGIEASDMILRPDAETGFIDPFFAEPTVVVTCDVIEPSTGHGYERDPRSIARRAEEYLKSTGIGDTAFFGPEPEFFVFDEVKWDIDMSGARHTLIAEEAAWSTGKDYE---SGNSGHRPRVKGGYFPVPPVDSAQDMRAEMCAKIEDIMGPGRVEVHHHEVAS-CQLEIGVSFNTLVRKADEVQQFKYAVWNVAHQYAKTATFMPKPMVGDNGSGMHVHMSISKDGKNLFA-GDEYAGLSEMALYFIGGIIKHARALNAITNPSTNSYKRLVPHFEAPIMLAYSARNRSASIRIPYVS-NPKGKRIEARFPDPMMNPYLGFAALLMAGIDGIQNKIHPGEAADKNLYDLPPEEEVKIPTVAHSLDMALEALQADHEFLLKGGVFTKEMLDAYIELKTE-DVRRLNTTTHPVEFDMYYSL 4ACF Chain:D ((13-486)) --TPDDVFKLAKDEKVEYVDVRFCDLPGIMQHFTIPASAFDKSVFDDGLAFDGSSIRGFQSIHESDMLLLPDPETARIDPFRAAKTLNINFFVHDPFTLEPYSRDPRNIARKAENYLISTGIADTAYFGAEAEFYIFDSVSFDSRANGSFYEVDAISGWWNTGAATEADGSPNRGYKVRHKGGYFPVAPNDQYVDLRDKMLTNLIN-SGF-ILEKGHHEVGSGGQAEINYQFNSLLHAADDMQLYKYIIKNTAWQNGKTVTFMPKPLFGDNGSGMHCHQSLWKDGAPLMYDETGYAGLSDTARHYIGGLLHHAPSLLAFTNPTVNSYKRLVPGYEAPINLVYSQRNRSACVRIPITGSNPKAKRLEFRSPDSSGNPYLAFSAMLMAGLDGIKNKIEPQAPVDKDLYELPPEEAASIPQTPTQLSDVIDRLEADHEYLTEGGVFTNDLIETWISFKRENEIEPVNIRPHPYEFALYYDV

General information: TITO was launched using: RESULT: Template: 4ACF.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain D - contact count / total energy / energy per contact / energy per residue : 2660 724 0.27 1.55 target 2D structure prediction score : 0.74 Monomeric hydrophicity matching model chain D : 0.83 3D Compatibility (PKB) : 0.27 2D Compatibility (Sec. Struct. Predict.) : 0.74 1D Compatibility (Hydrophobicity) : 0.83 QMean score : 0.541

(partial model without unconserved sides chains): PDB file : Tito_4ACF.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4ACF-query.scw PDB file : Tito_Scwrl_4ACF.pdb: