Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence ----------MSGPVPSRARVYTDVNTHRPREYWDYESHVVEWGNQDDYQLVRKLGRGKYSEVFEAINI-TNNEKVVVKILK---PVKKKKIKREIKILENLRGGPNIITLADIVKDPVSRTP----ALVFEHVNNTDFKQLYQ-TLTDYDIRFYMYEILKALDYCHSMGIMHRDVKPHNVMID-HEHRKLRLIDWGLAEFYHPGQ-----EYNVRVASRYFKGPELLV---DYQMYDYSLDMWSLGCMLASMIF-RKEPFFHGHDNYDQLVRIAKVLGTEDLYDYIDKYNIELDPRFNDILGRHSRKRWERFV--HSENQHLVSPEALDFLDKLLRYDHQSRLTAREAMEHPYFYTVVKDQARMGSSSMPGGSTPVSSANMMSGISSVPTPSPLGPLAGSPVIAAANPLGMPVPAAAGAQQ- 1LR4 Chain:A ((2-328)) SKARVYADVNVLRP----KEYWDYEALTVQWG------E------QDDYEVVRKVGRGKYSEVFEGINVNNN-EKCIIKILKPVK---KKKIKREIKILQNLCGGPNIVKLLDIVRDQ----HSKTPSLIFEYVNNTDFKVLYPT-LTDYDIRYYIYELLKALDYCHSQGIMHRDVKPHNVMIDH-ELRKLRLIDWGLAEFY-HPGKEYNV----RVASRYFKGPELLVDLQDY---DYSLDMWSLGCMFAGMIFR-KEPFFYGHDNHDQLVKIAKVLGTDGLNVYLNKYRIELDPQLEALVGRHSRKPWLKFMNA--DNQHLVSPEAIDFLDKLLRYDHQERLTALEAMTHPYFQQVRAAEN-----------------------------------------------------------S

General information: TITO was launched using: RESULT: Template: 1LR4.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 : 1359 354 0.26 1.20 target 2D structure prediction score : 0.60 Monomeric hydrophicity matching model chain A : 0.78 3D Compatibility (PKB) : 0.26 2D Compatibility (Sec. Struct. Predict.) : 0.60 1D Compatibility (Hydrophobicity) : 0.78 QMean score : 0.389

(partial model without unconserved sides chains): PDB file : Tito_1LR4.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1lr4-query.scw PDB file : Tito_Scwrl_1LR4.pdb: