Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MRKLVSIIILLGIAWVAKLSYDMWQISRTVPELQQSLLQSEQQYANLNDQLVALRRQIQNQPSHNSKTTPLATTEVVQTGIAP---TVLIKQKLELIQFAID-QQQFIYAVDHLTQLQQT----LPQYGIAPALQHSLNQALEQDKQAIQQFVLAQN-QRHQLIDDLLQNIDKNIQQALKQPKFEMDQSEAVSWWKKWFRIEKVETPSINLMNRSVVLKEVQLRLLIAEQALNQGKMAEYQNELQTVMQKLNELPDATSQQLKNRIAKVAHLSVVPVPKLSTLGLIGS 4MIE Chain:A ((207-308)) -------------------------------------------------------------------TYPRQSAEVRNEGLHDPQLATLTTKKGTVIQVLVHVTAQYGYEVK-LEVIGETGELQLPNYGLGPILRSNANQQTAVEMSWINRFIQAYNTEVQEFIDEVAKS----------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4MIE.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 : 193 -212 -1.10 -2.27 target 2D structure prediction score : 0.27 Monomeric hydrophicity matching model chain A : 0.60 3D Compatibility (PKB) : -1.10 2D Compatibility (Sec. Struct. Predict.) : 0.27 1D Compatibility (Hydrophobicity) : 0.60 QMean score : 0.205

(partial model without unconserved sides chains): PDB file : Tito_4MIE.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4MIE-query.scw PDB file : Tito_Scwrl_4MIE.pdb: