Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MQYSERLGSIN-NAQFQKALDKF-NLGLLTKTEKILFGNF-GQNIFLTTTKGNFVLRGKPHYSWQ-FKNEKLMVDLLHEKTNTKVPHPYLIDENTDIFGWSYVIMPRLGGRQLIDKNEQKNLTLKDWKEIASAYAINLIEMHKLTYKYS-GKYTDNYIGIKP----FSPSFSSWIIQ---SINILLDKSSSYNKKTTEQDKKWITELLNHRKEALEEPFKPTFTMQDYQITNTLVDKVDGQWIVTGVFDFMESYFGDCEVDLSRMFLKLHENDKELAYIFLNTYLRRKKIRRGFSDRFAIYIVLDRLLVWEWAQRTGKLWWDPDMSLSDWCKRYTKLDKNYLGL 3JR1 Chain:A ((14-309)) -----NLYFQGMWKSISQVLAEQFGAYYFIKHKEKLYSGEMNEIWLINDEVQTVFVKINERSYRSMFRAEADQLALLAKTNSINVPLVYGIGNSQG---HSFLLLEALNKS-------------KNKQSSFTIFAEKIAQLHQIQGPDKYGLDFDTWLGPIYQPNDWQTSWAKFFSENRIGWQLQICKEKGLIFGNIDLIVQIVADTLSKHNP------KPSILHGNLWIENCIQVDD-----KIFVCNPA-CYWGDRECDIAFS-----SLFEPFPTNFYQRYNEIYPLEEGYLERKLIYQLYYLLNFSYRYYNK----------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 : 1399 54340 38.84 191.34 target 2D structure prediction score : 0.55 Monomeric hydrophicity matching model chain A : 0.63 3D Compatibility (PKB) : 38.84 2D Compatibility (Sec. Struct. Predict.) : 0.55 1D Compatibility (Hydrophobicity) : 0.63 QMean score : 0.286

(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: