Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence ---MKN-LDGLLSRIQAKT-----FSLVTHRDGA---TVYKAQTTQGYVFVKMYTRKVDH--ERYCEILDELRAFS--LVPKLLNQFEWENYFVVVMSALEGQPVNNILKNCSRTEKLSLLKEAGASLGSFHRAISPSRL-FEMKFWKGRDDSSKDPTLWNEHLKLMTTKWMSRIDPTKADYKEFSYELSELALYCKDLREP-----TQFSLLHCDYIGRNLLATSCNKISGVLDYEAARIGDAVYDLAKIVWLDMEFSDLELRHAFLQGWEKTYGEVVPQREFLTYVGIQCLAAIAWTDKHAPIEGNTIFRASAIKALKIVANEL-- 3JR1 Chain:A ((14-309)) NLYFQGMWKSISQVLAEQFGAYYFIKHKEKLYSGEMNEIWLINDEVQTVFVKINERSYRSMFRAEADQLALLAKTNSINVPLVYGIGNSQGHSFLLLEALNKSKNKQ-----------SSFTIFAEKIAQLHQIQGPDKYGLDFDTWLG---PIYQPNDWQTSWAKFFSEN--RIGWQLQICKEKGLIFGNIDLIVQIVADTLSKHNPKPSILHGNLWIENCIQV--DDKIFVCNP-ACYWGDRECDIAFS----------SLFEPFPTNFYQRYNEIYPLEE--GYLERKLIYQLYYLLNFSYRYYNK-KQSYVSLTQKLINQILHK

General information: TITO was launched using: RESULT: Template: 3JR1.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 : 1342 -5919 -4.41 -21.76 target 2D structure prediction score : 0.55 Monomeric hydrophicity matching model chain A : 0.64 3D Compatibility (PKB) : -4.41 2D Compatibility (Sec. Struct. Predict.) : 0.55 1D Compatibility (Hydrophobicity) : 0.64 QMean score : 0.321

(partial model without unconserved sides chains): PDB file : Tito_3JR1.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3jr1-query.scw PDB file : Tito_Scwrl_3JR1.pdb: