Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKKTMSAITAAAAVTSCFTGFGAASFSAPAKAAAQTNTLSENTNQSAAELVKNLYNTAYKGEMPQQAQGLTINKSTKGDVHAAFGEPERPVGGDNRFDLYHWNMGQ-----PGYGFSYHKD---MTISEIRYFG------TGVER---QLNLGGVTPEVLQKQLGPVNRVLTVPFTDEIDYVYDTGRYELHFVIGTDQTADHVNLKAK 3N4I Chain:B ((12-111)) ---------------------------------------------------------------------IQFGM-TRQQVLDIAGAENCE-TGGSFGDSIHCRGHAAGDYYAYATFGFTSAAADAKVDSKSQEKLLAPSAPTLTLAKFNQVTVGMTRAQVLATVGQGSCTT-------------------------------------

General information: TITO was launched using: RESULT: Template: 3N4I.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 262 -23050 -87.98 -277.71 target 2D structure prediction score : 0.57 Monomeric hydrophicity matching model chain B : 0.55 3D Compatibility (PKB) : -87.98 2D Compatibility (Sec. Struct. Predict.) : 0.57 1D Compatibility (Hydrophobicity) : 0.55 QMean score : 0.327

(partial model without unconserved sides chains): PDB file : Tito_3N4I.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3N4I-query.scw PDB file : Tito_Scwrl_3N4I.pdb: