Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKKPELTATSVEKFLIEKF-D--SVSDLMQLSEGEESRAFSFDVGGRGYVLRVNSCA--DGFYKDRYVYRHFAS-AALPIPEVLDIGEFSESLTYCISRRAQGVTLQDLPETELPAVLQPVAEAMDAIAAADLSQTSGFGPFGPQ-------GIGQYTTWRDFICAI-ADPHVYHWQTVMDDTVSASVA-QALDELMLWAEDCPEVRHLVHADFGSNNVLTDNGRITAVIDWSEAMFGDSQYEVANIFFWRPWLACMEQQTRYFERRHPELAG-SPRLRAYMLRIGLDQLYQSLVDGNFDDAAWAQGRCDAIVRSGAGTVGRTQIARRSAAVWTDGCVEVLADSGNRRPSTRPRAKE 3JR1 Chain:A ((15-307)) -LYFQGMWKSISQVLAEQFGAYYFIKHKEKLYSGEMNEIWLINDEVQTVFVKINERSYRSMFRAEADQLALLAKTNSINVPLVYGIGNSQ-GHSFLLLEALNKSKNK-------QSSFTIFAEKIAQLHQIQGPD--KYGLDFDTWLGPIYQPNDWQTSWAKFFSENRIGWQLQICKEK---GLIFGNIDLIVQIVADTLSKHNPKPSILHGNLWIENCIQVDDKI-FVCNP-ACYWGDRECDIAFSSLFE---PFPTNFYQRYNEIYPLEEGYLERKLIYQLYYLLNFSYRYY-NKKQSYVSLTQKLINQIL--------------------------------------------

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 : 1366 -13792 -10.10 -49.79 target 2D structure prediction score : 0.54 Monomeric hydrophicity matching model chain A : 0.63 3D Compatibility (PKB) : -10.10 2D Compatibility (Sec. Struct. Predict.) : 0.54 1D Compatibility (Hydrophobicity) : 0.63 QMean score : 0.339

(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: