Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MQINPALAQAIEADSG-F--ELTQVEFIGAGWFAQAYRFCSQAKHYVVRISKHY--HDFLKDVYAYQHWGQ--QLPIPAILAHGQFADGWAYAISPHIAGQTIVSLEAAELRQIQPALFKSLQQLHQLKLGPVTGWGSVNSQ--G-----HGRYQSWAEEVLD-IGNYKFDFDWHDWIKRDDQTGTLLRQGYRLMEQLLSTISTERSLIHRDFGFDNVLCQPPTIVAVLDWADFGYGDWVYDIAQQSCYGQAEIYLQPWLKFA-QQHDLIP---DNFEKRLHCYWLRMNLTDLIVSQLR--NDWHWQRKIVAELSWLIENPVVVRLNQ 3JR1 Chain:A ((18-309)) -QGMWKSISQVLAEQFGAYYFIKHKEKLYSGEMNEIWLINDEVQTVFVKINERSYRSMFRAEADQLALLAKTNSINVPLVYGIGNSQG-HSFLLLEALNKSKNK-------QSSFTIFAEKIAQLHQIQGPDK--YGLDFDTWLGPIYQPNDWQTSWAKFFSENRIGWQL-----QICKEKGLIFGNIDLIVQIVADTLSKHNPKPSILHGNLWIENCIQVDDK-IFVCNP-ACYWGDRECDIAFSS-------LFEPFPTNFYQRYNEIYPLEEGYLERKLIYQLYYLLNFSYRYYNKKQSYVSLTQKLINQILHK-----------

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 : 1347 11628 8.63 42.91 target 2D structure prediction score : 0.55 Monomeric hydrophicity matching model chain A : 0.62 3D Compatibility (PKB) : 8.63 2D Compatibility (Sec. Struct. Predict.) : 0.55 1D Compatibility (Hydrophobicity) : 0.62 QMean score : 0.313

(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: