Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MEQCYTDVTEFAIPVSTQKLYLSPVLDGFNSEIIAYNLSTSPNLEQVQTMLEQAFTEKHYENTILHSDQGWQYQHDSYHRFLESKGIQASMSRKGNSQDNGMMESFFGILKSEMFYGYEKTFKSLNQLEQAIIDYIDYYNNKRIKVKLKGLSPVQYRTKSFG 3WNF Chain:A ((3-147)) PGIWQLDCTHL------EGKVILVAVHVASGYIEAEVIPA-ETGQETAYFLLKLAGRW-PV-KTVHTDNGSNFTGATVRAACDWAGIKQE--------------SMNKELKKIIGQV----RDQAEHLKTAVQMAVFIHNH-KR------YSAGERIVD---

General information: TITO was launched using: RESULT: Template: 3WNF.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 : 551 -61886 -112.32 -495.09 target 2D structure prediction score : 0.70 Monomeric hydrophicity matching model chain A : 0.63 3D Compatibility (PKB) : -112.32 2D Compatibility (Sec. Struct. Predict.) : 0.70 1D Compatibility (Hydrophobicity) : 0.63 QMean score : 0.336

(partial model without unconserved sides chains): PDB file : Tito_3WNF.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3WNF-query.scw PDB file : Tito_Scwrl_3WNF.pdb: