Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MQSNNPILTRVETVSDYSQPMTVQGAIQKSVMLTIIAAAVGVALFFYAAFTANVGIAYAASIVGAIGGLVLALITTFKPTTAPTLAIPYALFEGAFLGGISFTFQLKYPGVPLQALLATFVTTLVMFGLYKFQIIRATEKFKSVVISASLAIFIVFIVQMVMRLAFGSSIPYIFESNWLGIGFAAFVAVIASLNLILDFDLIETNAAYRAPKFMEWLCGIALLATLVWMYISFLRLLGLLSDD 2L6W Chain:A ((1-39)) ---------------------------------------------------------------------------------------------------------------------------------------GHSLPFKVVVISAILALVVLTIISLIILIMLWQKKPRYE---------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 2L6W.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 : 13 -1566 -120.42 -40.14 target 2D structure prediction score : 0.69 Monomeric hydrophicity matching model chain A : 0.41 3D Compatibility (PKB) : -120.42 2D Compatibility (Sec. Struct. Predict.) : 0.69 1D Compatibility (Hydrophobicity) : 0.41 QMean score : 0.162

(partial model without unconserved sides chains): PDB file : Tito_2L6W.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2L6W-query.scw PDB file : Tito_Scwrl_2L6W.pdb: