Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTIRPDIFSEIKQYIDIFHIEPVRKGYSEDMKYLLTAKSGERFLLRITESDNTQILAGRKEMYSLMDTLAKY-SSLVPRSRACWISHNAYSCIMIHEYIEGDDGEESLHRYSQETQYEIGYRAGIELKKLHQLAAPATLS------------------SWYTRKKQ-KHERYCDACNREHLAPEELDLEPIHRYIADNIHLMKNVSQTFQHDDYHPANLIINNGQLTGIIDFNRYDWGDPIHDFYKLAFFSREISIPFSRGQIDGYFMG-NVPSDFWKRYALYNAMSIVPSIVWFSRMASRKEFRDELKRAITLIRTLIDDHKGFTSAIPQWYQ 3JR1 Chain:A ((37-288)) ---------------FIKHKEKLYSGEMNE-IWLINDE-VQTVFVKINERSY---RSMFRAEADQLALLAKTNSINVPLVYGIGNSQ--GHSFLLLEALNKSKNK-----------QSSFTIFAEKIAQLHQIQGPDKYGLDFDTWLGPIYQPNDWQTSWAKFFSENRIGWQLQICKEKGLIFG--NIDLIVQIVADTLSK-HNPKPSILHGNLWIENCIQVDD-KIFVCNP-ACYWGDRECDIAFSSLF-----EPFPTNFYQRYNEIYPLEEGYLERKLIYQLYYLLNFSYRY---------------------------------------

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 : 1046 -30017 -28.70 -129.94 target 2D structure prediction score : 0.60 Monomeric hydrophicity matching model chain A : 0.62 3D Compatibility (PKB) : -28.70 2D Compatibility (Sec. Struct. Predict.) : 0.60 1D Compatibility (Hydrophobicity) : 0.62 QMean score : 0.278

(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: