Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MLDKKIIKIFKDKLNEKVIKITDSSNGLAQIVKIVETKNKKYVFK-NPKPGDGIMIYRENFVCSNLKS--KFIPKVFFK-----TKNYLIESFLEGTRPERNKPE---IFYYSLGKNIRKIHKVKMTG---FGELQKNGKGQYKTAKQYIDNLIIENFPKFKNIKSFDKKILKYLEKFIYENI--NCFDEKNSFLLHFDLIPDNILMQDNKLAGIIDFGDANCGPVEYDFGKLYLE-----ISDKMFTKVLEGYGKKLEMKKIQYFVVLHLLCILPYFYKVNRKRYEKSVKLLRKFSKF 3W0S Chain:A ((8-255)) --ATSVEKFLIEKFD-SVSDLMQLSEGEESRAFSFDVGGRGYVLRVNSCA--DG-FYKDRYVYRHFASAALPIPEVLDIGEFSESLTYCISRRAQGVTLQDLPETELPAVLQPVAEAMDAIAAADLSQTSGFGPFGPQGIGQYTTWRDFICAIADPHVYH--WQTVMDDTVSASVAQALDELMLWAEDCPEVRHLVHADFGSNNVLTDNGRITAVIDWSEAMFGDSQYEVANIFFWRPWLACMEQQTRYFERRHPE-------------------------------------------

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 : 960 -15989 -16.66 -70.44 target 2D structure prediction score : 0.50 Monomeric hydrophicity matching model chain A : 0.65 3D Compatibility (PKB) : -16.66 2D Compatibility (Sec. Struct. Predict.) : 0.50 1D Compatibility (Hydrophobicity) : 0.65 QMean score : 0.309

(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: