Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSMANKVLQLIQESGAKWVDFRFTDTKGKEQHVTYPADSIDEDTFEDGKMFDGSSIAGWKGIEASDMILRPDAETGFIDPFFAEPTVVVTCDVIEPSTGHGYERDPRSIARRAEEYLKSTGIGDTAFFGPEPEFFVFDEVKWDIDMSGARHTLIAEEAAWSTGKDYE---SGNSGHRPRVKGGYFPVPPVDSAQDMRAEMCAKIEDIMGPGRV-EVHHHEVAS-CQLEIGVSFNTLVRKADEVQQFKYAVWNVAHQYAKTATFMPKPMVGDNGSGMHVHMSISKDGKNLFAGDE-YAGLSEMALYFIGGIIKHARALNAITNPSTNSYKRLVPHFEAPIMLAYSARNRSASIRIPYV-SNPKGKRIEARFPDPMMNPYLGFAALLMAGIDGIQNKIHPGEAADKNLYDLPPEEEVKIPTVAHSLDMALEALQADHEFLLKGGVFTKEMLDAYIELKTED-VRRLNTTTHPVEFDMYYSL 3ZXR Chain:A ((15-486)) ----DDVFKLAKDEKVEYVDVRFCDLPGIMQHFTIPASAFDKSVFDDGLAFDGSSIRGFQSIHESDMLLLPDPETARIDPFRAAKTLNINFFVHDPFTLEPYSRDPRNIARKAENYLISTGIADTAYFGAEAEFYIFDSVSFDSRANGSFYEVDAISGWWNTGAATEADGSPNRGYKVRHKGGYFPVAPNDQYVDLRDKM---LTNLINSGFILEKGHHEVGSGGQAEINYQFNSLLHAADDMQLYKYIIKNTAWQNGKTVTFMPKPLFGDNGSGMHCHQSLWKDGAPLMYDETGYAGLSDTARHYIGGLLHHAPSLLAFTNPTVNSYKRLVPGYEAPINLVYSQRNRSACVRIPITGSNPKAKRLEFRSPDSSGNPYLAFSAMLMAGLDGIKNKIEPQAPVDKDLYELPPEEAASIPQTPTQLSDVIDRLEADHEYLTEGGVFTNDLIETWISFKRENEIEPVNIRPHPYEFALYYDV

General information: TITO was launched using: RESULT: Template: 3ZXR.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 : 2645 16305 6.16 35.14 target 2D structure prediction score : 0.75 Monomeric hydrophicity matching model chain A : 0.83 3D Compatibility (PKB) : 6.16 2D Compatibility (Sec. Struct. Predict.) : 0.75 1D Compatibility (Hydrophobicity) : 0.83 QMean score : 0.532

(partial model without unconserved sides chains): PDB file : Tito_3ZXR.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3ZXR-query.scw PDB file : Tito_Scwrl_3ZXR.pdb: