Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence ---------------------------------------------------------------------------------------------------------------------------------------------------MGDKPISFRDADGNFVSAADVWNEKKLEELFNRLNP------NRALRLARTTKENPSQ-------------------------------------------------------------- 5HAG Chain:A ((8-273)) DLLPLVPEQVFVEMYEDMARRQTIEALVPAWDSDIIFKCLCYFHTLYPGLIPLETFPPATIFNFKQKIISILEDKKAVLRGEPIKGPLPICCSKENYRRHLQRTTLLPVFMWYHPTPKTLSDTMQTMKQLAIKGSVGASHWLLVIVDIQARRLVYFDSLYNYVMP-PENMKKELQSFAQQLDQVYPAYDSKKFSVKIAAKEVIQRGSGSSCGAWCCQFLHWYLKDPLTDALNDLPVDSVERHENLASFVQACEAAVQDLPELSWPEA

General information: TITO was launched using: RESULT: Template: 5HAG.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 : 21 2180 103.79 42.74 target 2D structure prediction score : 0.75 Monomeric hydrophicity matching model chain A : 0.51 3D Compatibility (PKB) : 103.79 2D Compatibility (Sec. Struct. Predict.) : 0.75 1D Compatibility (Hydrophobicity) : 0.51 QMean score : 0.368

(partial model without unconserved sides chains): PDB file : Tito_5HAG.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5HAG-query.scw PDB file : Tito_Scwrl_5HAG.pdb: