Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSTIHDAIALAASHGLNLVPRGARVNDAGLDYRVVMASDEGGRRWVLRLPRRADVAAGMAAEARVLGLVGPVLAADGIAVPDWRIRSPELVAYPALTGAPGLTLNDDGRPDWHMDPASPDYAVRLGRLLARLHSITGEQAAAAGVEVRTPEQVRQSWRDDIAEVRSEFTVAPELAEAWQSWLADDTCWPDQTVMTHGEIYPAHVLLGEDGTLVGLLDWTTARVDDPARDLAAQYGAAGDEMLQTTVAAYAQAGGQVRPGLVAQTRRLWHAASIGYARYALTTRAEGDVAAAAAMLNPRSRRR 5UXB Chain:A ((15-298)) -------------HGLDLDGGTLRTEEIGLDFRVAFARAHDGGDWVLRLPRRPDVLERAAVEGRLLAMLAPHL---DVAVPDWRISTSELIAYPLLPGSPGLTV----EVSWHVDMASTVYARSLGSVVAQLHAVDAEAAAATGIEVRSPAQVRGAWRQDLARVGAEFEIAPALRERWEAWLADDGCWPGHSVLTHGELYPAHTLV-EDERITAVLDWTTAAVGDPAKDLMFHQVSAPSAIFEVALQAYAEGGGRPWPGLARHCTEMFSAAPLGYGLYALATGEAAHREAAAAALNPPEER-

General information: TITO was launched using: RESULT: Template: 5UXB.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 : 1266 -134139 -105.95 -479.07 target 2D structure prediction score : 0.70 Monomeric hydrophicity matching model chain A : 0.85 3D Compatibility (PKB) : -105.95 2D Compatibility (Sec. Struct. Predict.) : 0.70 1D Compatibility (Hydrophobicity) : 0.85 QMean score : 0.558

(partial model without unconserved sides chains): PDB file : Tito_5UXB.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5uxb-query.scw PDB file : Tito_Scwrl_5UXB.pdb: