Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNNEKIENI-FDKFEI--NIKEIKSATNSFNSNVYIITSVDDKRYVLKFCNNE--KKMLNESKYMKYLKP--YIPVADVVGTGDCDEKYYIIQSFFEGSNKFDEEANELSDEQVRNIGILLAKLHSCELLD--ES-----------S----NSWIIYLNG-CLEKTVETLEKIF-GKENN-KKISDFLSNYINEKLSNNYKNSILHMDFRIGNVMFGKNDEIGLIDLESMKNGEYVFDFVKVNRLFNNDKFLKFMEGYNTIKAVDSNFEERLNFYSLFDSYTSLWWCA-TKNQLDSEFYKLNYKIVMKYLAKLNKDGVI 3JR1 Chain:A ((21-309)) --WKSISQVLAEQFGAYYFIKHKEKLYSGEMNEIWLINDEV-QTVFVKINERSYRSMFRAEADQLALLAKTNSINVPLVYGIGNSQGHSFLLLEALNKSKN---K-----QSSFTIFAEKIAQLHQIQGPDKYGLDFDTWLGPIYQPNDWQTSWAKFFSENRIGWQLQICKEKGLIFGNIDLIVQIVAD----TLSKHNPKPSILHGNLWIENCIQVDDKI-FVCNP-ACYWGDRECDIAFSSLFE--PFPTNFYQRYNEIYPLEEGYLERKLIYQLYYLLNFSYRYYNKK----QSYVSLTQKLINQILHK-------

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 : 1268 46206 36.44 177.03 target 2D structure prediction score : 0.54 Monomeric hydrophicity matching model chain A : 0.65 3D Compatibility (PKB) : 36.44 2D Compatibility (Sec. Struct. Predict.) : 0.54 1D Compatibility (Hydrophobicity) : 0.65 QMean score : 0.439

(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: