Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MQSNNPILTRVETVSDYSQPMTVQGAIQKSVMLTIIAAAVGVALFFYAAFTANVGIAYAASIVGAIGGLVLALITTFKPTTAPTLAIPYALFEGAFLGGISFTFQLKYPGVPLQALLATFVTTLVMFGLYKFQIIRATEKFKSVVISASLAIFIVFIVQMVMRLAFGSSIPYIFESNWLGIGFAAFVAVIASLNLILDFDLIETNAAYRAPKFMEWLCGIALLATLVWMYISFLRLLGLLSDD 3DKN Chain:B ((24-52)) ------------------------------------------------------------------------------------------------------------------------------------LKKPTKDEYLAVAKVTALGISLLGIIGYI----------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3DKN.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 13 -74 -5.65 -2.53 target 2D structure prediction score : 0.66 Monomeric hydrophicity matching model chain B : 0.38 3D Compatibility (PKB) : -5.65 2D Compatibility (Sec. Struct. Predict.) : 0.66 1D Compatibility (Hydrophobicity) : 0.38 QMean score : 0.288

(partial model without unconserved sides chains): PDB file : Tito_3DKN.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3DKN-query.scw PDB file : Tito_Scwrl_3DKN.pdb: