Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MQYSERLGSINNAQFQKALDKFNLG--LLTKTEKILFGNFGQNIFLTTTKGNFVLRGKPHY-SWQFKNEKLMVDLLHEKTNTKVPHPYLIDENTDIFGWSYVIMPRLGGRQLIDKNEQKNLTLKDWKEIASAYAINLIEMHKLTYK-YSGKYTDNYIG----IKPFSPSFSSWIIQ-SINILLDKSSSYNKKTTEQDKKWITELLNHRKEALE-EPFKPTFTMQDYQITNTLVDKVDGQWIVTGVFDFMESYFGDCEVDLSRMFLKLHENDKELAYIFLNTYLRRKKIRRGFSDRFAIYIVLDRLLVWEWAQRTGKLWWDPDMSLSDWCKRYTKLDKNYLGL 3JR1 Chain:A ((17-288)) -------FQGMWKSISQVLAEQFGAYYFIKHKEKLYSGEMNEIWLINDEVQTVFVKINERSYRSMFRAEADQLALLAKTN--SINVPLVYGIG-NSQGHSFLLLEALNKSKN---K----------QSSFTIFAEKIAQLHQIQGPDKYGLDFDTWLGPIYQPNDWQTSWAKFFSENRIGWQLQICKEKG--LIFGNIDLIVQIVA---DTLSKHNPKPSILHGNLWIENCIQVDD----KI-FVCNP-ACYWGDRECDIAFSSLFE-----PFPTNFYQRYNEIYPLEEGYLERKLIYQLYYLLNFSYRY-------------------------------

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 : 1260 -26862 -21.32 -102.52 target 2D structure prediction score : 0.54 Monomeric hydrophicity matching model chain A : 0.65 3D Compatibility (PKB) : -21.32 2D Compatibility (Sec. Struct. Predict.) : 0.54 1D Compatibility (Hydrophobicity) : 0.65 QMean score : 0.271

(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: