Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MRKAGAADSAPTPKPQDGPARAWVARLVQRRFGERPRGLQALGGGLNNHVYQLQAGGQPLVVRLHQDPGKLAVYRKEAWAMGQARKAGVPTPQVLEVGEE-GGHPYMLQRLVEGIPGTQ--WADGNAVLRQMGELAARLHQVATQGFG-PAVGGSAVPGQRSWPHWADFLDHELRVGER-LGMLDRVNALPTPARQA-LTATLAQMRRWSRRPVLQHGDLRLKNVIVSPRDGRIVALIDWEDCLSAPPPHWELAIALHDLG-PDGKEVFLEGYGLSAARFARIAPQLRALNVLNYAWAIHLALQDGQRRRAEWMKARLRGVFDVAL 3W0S Chain:A ((6-274)) ------------------LTATSVEKFLIEKFD-SVSDLMQLSEGEESRAFSFDVGGRGYVLRVNSCA---DGFYKDRYVYRHFASAALPIPEVLDIGEFSESLTYCISRRAQGVTLQDLPETELPAVLQPVAEAMDAIAAADLSQTSGFGPF-GPQ-GIGQYTTWRDFICAIADPHVYHWQTVMDDTV-S-ASVAQALDELMLWAEDCPEVRHLVHADFGSNNVLTD-N-GRITAVIDWSEAMFG-DSQYEVANIFFWRPWLACMEQQTRYFERRHPE---L-AGSPRLRAYMLRIGLDQL------------------------

General information: TITO was launched using: RESULT: Template: 3W0S.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 : 1209 -48427 -40.06 -184.83 target 2D structure prediction score : 0.50 Monomeric hydrophicity matching model chain A : 0.68 3D Compatibility (PKB) : -40.06 2D Compatibility (Sec. Struct. Predict.) : 0.50 1D Compatibility (Hydrophobicity) : 0.68 QMean score : 0.340

(partial model without unconserved sides chains): PDB file : Tito_3W0S.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3w0s-query.scw PDB file : Tito_Scwrl_3W0S.pdb: