Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSPIVIKPDLAIDLATAGAVVARTGVDGQIAAISLLYGGEISAVYELALAGGLPPLVLKIYPDSMSWKMRKEARMLDLVRDRLPVPAPRLHLADASRDLIGLDYVVMSRLAGDRLGPLEQQLPPPLRQSAFRQVGRLSRAFHDIAMEA---FGYIGPDG--VWTAHADNRTYLTVQFDRKLTEFSSRGGAPDLALRIARHVEACSGLFE-ACAAPVLCHNDLHPGNILARADDDTVTLTGVVDFEGALAGDPLKDVAKALYYL-----SAGQREAFLEGYGPMTRTEVGATLDIYRLLFSLELWCWYAQFDATDKLAPLIADMELLLRSQ 3W0S Chain:A ((6-277)) -----------LTATSVEKFLI-EKFD-SVSDLMQLSEGEESRAFSFDVG-GR-GYVLRVNSCA--DGFYKDRYVYRHFAS-AALPIPEVLDIGEFS--ESLTYCISRRAQGVTLQDL----PETELPAVLQPVAEAMDAIAAADLSQTSGFGPFGPQGIGQYTTWRDFICAIADPHVYHWQTVMD----DTVSASVAQALDELMLWAEDCPEVRHLVHADFGSNNVLTDN--G--RITAVIDWSEAMFGDSQYEVANIFFWRPWLACMEQQTRYFERRHPELA---GSPRLRAYMLRIGLDQLYQS-----------------------

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 : 1196 -77729 -64.99 -297.81 target 2D structure prediction score : 0.52 Monomeric hydrophicity matching model chain A : 0.66 3D Compatibility (PKB) : -64.99 2D Compatibility (Sec. Struct. Predict.) : 0.52 1D Compatibility (Hydrophobicity) : 0.66 QMean score : 0.306

(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: