Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MQYSERLGSINNAQFQKALDKFNLGLLTKTEKILFGNFGQNIFLTTTKGNFVLRGKPHY--SWQFKNEKLMVDLLHEK-TNTKVPHPYLIDENTDIFGWSYVIMPRLGGRQLIDK-NEQKNLTLKDWKEIASAYAINLIEMHKLTYKYSGKYTDNYIGIKPFSPSFSSWIIQSINILLDKSSSYNKKTTEQDKKWITELLNHRKEALE-EPFKPTFTMQDYQITNTLVDKVDGQWIVTGVFDFMESYFGDCEVDLSRMFLKLHE-NDKELAYIFLNTYLRRKKIRRGFSDRFAIYIVLDRLLVWEWAQRTGKLWWDPDMSLSDWCKRYTKLDKNYLGL 4DCA Chain:A ((25-293)) ---------LDAEIYEHLNKQI---KINELRYLSSGDDSDTFLC---NEQYVVKVPKRDSVRISQKRELELYRFLENCKL--SYQIPAVVYQS-----DRFNIMKYIKGERITYEQY--HKLSEKEKDALAYDEATFLKELHSIEIDCSVSLFSDA-----LVNKKDKFL-QDKKLLISILEKEQ-LLTDEMLEHIETIYENILSNAVLFKYTPCLVHNDFSANNMIFRNN----RLFGVIDFGDFNVGDPDNDFLCLLDCSTDDFGKEFGRKVLKYYQHKAPEVAE--RKAELNDVYWSIDQIIY--------------------------------

General information: TITO was launched using: RESULT: Template: 4DCA.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 : 1100 -23234 -21.12 -88.34 target 2D structure prediction score : 0.54 Monomeric hydrophicity matching model chain A : 0.63 3D Compatibility (PKB) : -21.12 2D Compatibility (Sec. Struct. Predict.) : 0.54 1D Compatibility (Hydrophobicity) : 0.63 QMean score : 0.346

(partial model without unconserved sides chains): PDB file : Tito_4DCA.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4dca-query.scw PDB file : Tito_Scwrl_4DCA.pdb: