Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MRKINFFDTTLRDGEQSPGVNLNTQEKLAIAKQLERLGADIIEAGFPASSRGDFLAVQEI---ARTIKNCSVTGLARCVKGDIDAAWEALKDGAQPRIHVFIATSDIHLKHKLKMTREQVIERAVGMVKYAKE---RFPIVQW----SAEDACRTELPFLAEIVEKVIDAGAS------VINLPDTVGYLAPAEYGNIFKYMKENVPNIHKAKLSAHCHDDLGMAVANSLAAIENGADQIECAVNGIGERAGNAALEEIAVALHTRKDFYQVETGITLNEIKRTSDLVSKLTGMAVPRNKAVVGDNAFAHESGIHQDGFLK--------------------EKSTYEIISPELVGVTADALVLGKHSGRHAFKDRL-TALGFQFDSEEINKFFTMFKELTEKKKEITDEDLVSLILEEKVTD----RKIGYEFLSLQVHYGTSQVPTATLSLKNQENAQLIQEAATGAGSVEAIYNTLERCIDKDVELLDYRIQSNRKGEDAFAQVYVRV-----LVNGKESAGRGIAQDVLEASAKAYLNAVNRQLVFQSNMSGLKNHTAVGS 3HPS Chain:A ((79-641)) ----------LRDGNQALIDPMSPARKRRMFDLLVRMGYKEIEVGFPSASQTDFDFVREIIEQGAIPDDVTIQVLTQCRPELIERTFQACSGAPRAIVHFYNSTSILQRRVVFRANRAEVQAIATDGARKCVEQAAKYPGTQWRFEYSPESYTGTELEYAKQVCDAVGEVIAPTPERPIIFNLPATVEMTTPNVYADSIEWMSRNLANRESVILSLHPHNDRGTAVAAAELGFAAGADRIEGCLFGNGERTGNVCLVTLGLNLFSRGVDPQIDFS-NIDEIRRTVEYCNQL---PVHERHPYGGDLVYTAFSGSHQDAINKGLDAMKLDADAADCDVDDMLWQVPYLPIDPRDVGRTYEAVI------KGGVAYIMKTDHGLSLPRRLQIEFSQVIQKI-----EVSPKEMWDAFAEEYLAPVRPLERIRQHVDAADDDGGTTSI-TATVKINGVET----EISGSGNGPLAAFVHALAD-VGFDVAVLDYYEHAMSAGDDAQAAAYVEASVTIA--TSKTVWGVGIAPSITTASLRAVVSAVNR-------------------

General information: TITO was launched using: RESULT: Template: 3HPS.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 : 2216 4858 2.19 10.42 target 2D structure prediction score : 0.59 Monomeric hydrophicity matching model chain A : 0.72 3D Compatibility (PKB) : 2.19 2D Compatibility (Sec. Struct. Predict.) : 0.59 1D Compatibility (Hydrophobicity) : 0.72 QMean score : 0.443

(partial model without unconserved sides chains): PDB file : Tito_3HPS.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3HPS-query.scw PDB file : Tito_Scwrl_3HPS.pdb: