Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSTIHDAIALAASHGLNLVPRGARVNDAGLDYRVVMASDEGGRRWVLRLPRRADVAAGMAAEARVLGLVGPVLAADGIAVPDWRIRSPELVAYPALTGAPGLTLNDDGRPDWHMDPASPDYAVRLGRLLARLHSITGEQAAAAGVEVRTPEQVRQSWRDDIAEVRSEFTVAPELAEAWQSWLADDTCWPDQTVMTHGEIYPAHVLLGEDGTLVGLLDWTTARVDDPARDLAAQYGAAGDEMLQTTVAAYAQAGGQVRPGLVAQTRRLWHAASIGYARYALTTRAEGDVAAAAAMLNPRSRRR 5UXD Chain:A ((17-300)) -------------HGLDLDGGTLRTEEIGLDFRVAFARAHDGGDWVLRLPRRPDVLERAAVEGRLLAMLAPHL---DVAVPDWRISTSELIAYPLLPGSPGLTVAADGEVSWHVDMASTVYARSLGSVVAQLHAVDAEAAAATGIEVRSPAQVRGAWRQDLARVGAEFEIAPALRERWEAWLADDGCWPGHSVLTHGELYPAHTLV-EDERITAVLDWTTAAVGDPAKDLMFHQVSAPSAIFEVALQAYAEGGGRPWPGLARHCTEMFSAAPLGYGLYALATGEAAHREAAAAALNPPEER-

General information: TITO was launched using: RESULT: Template: 5UXD.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 : 1261 -145396 -115.30 -511.96 target 2D structure prediction score : 0.73 Monomeric hydrophicity matching model chain A : 0.85 3D Compatibility (PKB) : -115.30 2D Compatibility (Sec. Struct. Predict.) : 0.73 1D Compatibility (Hydrophobicity) : 0.85 QMean score : 0.537

(partial model without unconserved sides chains): PDB file : Tito_5UXD.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5uxd-query.scw PDB file : Tito_Scwrl_5UXD.pdb: