Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MRKKALIFTVIFGIIFLAVLLVSASIYKSAMAQKEEGHEAAAAEAKKETDLAHVDQVETFVGKEKYYVVKGTDKKGTALYVWVPADKKAKILSKE--AK--EGISEDKAAKIIK-DEGLVSKQKEVHLARE-GNVLLWEVTYLDKE--GQYSLSYVDFTTGKILKNITP 4IPB Chain:A ((6-124)) --------------------------------------GNVQSTFKKMYPKANGVAWSQD---DGYYCANFAMN-GFTKNVWFNVRG--QWVMTLTDLVSLDRL-TPTVYNAFVSGPYANWVVDNVTMVEFPKWQAIIVIKVGQDNVDIKYQ-LFYTP-QGILLKT---

General information: TITO was launched using: RESULT: Template: 4IPB.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 : 421 -13837 -32.87 -124.65 target 2D structure prediction score : 0.65 Monomeric hydrophicity matching model chain A : 0.55 3D Compatibility (PKB) : -32.87 2D Compatibility (Sec. Struct. Predict.) : 0.65 1D Compatibility (Hydrophobicity) : 0.55 QMean score : 0.525

(partial model without unconserved sides chains): PDB file : Tito_4IPB.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4IPB-query.scw PDB file : Tito_Scwrl_4IPB.pdb: