Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MITQNKDILFRSPIMNKLMVYAYTGVVITMLFWGSAFNAMSYVIQYMPPLSAAAERFTIASLGLFILFAAIGKLSWAALRQNLVIYLIIGIIGIAGFNLGCFYGLQTTSAVNGALIMATTPLITLLLTILLDGEKLTLNKFIGVVFGLSGVLFVISHGHISTLLHLKIAIGDLFILLGGVSFCLANVLSR--RYVKNATPLETTTFSMMFGALTLIILSVIFEHPSQAIAMAPITAHLAMGYVIICSTMIAYLFWFNGIQKLGAGRASIFFNFVPVFSMLVALLAGQSLNIWQLIGTALVMLGVMSSGGFIQIKRPALIAKPCTK 3UM7 Chain:A ((25-290)) -----------RAMRSTTLLALLALVLLYLVSGALVFRALE-----QPHEQQAQRELGEVREKFLRAHPCVSDQELGLLIKEVADALGGGADPETQSTSAW--------DLGSAFFFSGTIITTI---------------------GYGNVALRTDAGRLFCIFYALVGIPLFGILLAGVGDRLGSSLRHGIGHIEAIFLKWHPELVRVLSAMLFLLIGCLLFVLTPTFVFCYMEDW---------SKLEAIYFVIVTLTTVGFG------------DYVAGADPRQDSPAYQPLVWFWILLGLAYFASVLTTIGNWLRVVSRRT

General information: TITO was launched using: RESULT: Template: 3UM7.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 : 872 -149211 -171.11 -580.59 target 2D structure prediction score : 0.50 Monomeric hydrophicity matching model chain A : 0.62 3D Compatibility (PKB) : -171.11 2D Compatibility (Sec. Struct. Predict.) : 0.50 1D Compatibility (Hydrophobicity) : 0.62 QMean score : 0.135

(partial model without unconserved sides chains): PDB file : Tito_3UM7.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3UM7-query.scw PDB file : Tito_Scwrl_3UM7.pdb: