Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MITQNKDILFRSPIMNKLMVYAYTGVVITMLF--WGSAFNAMSYVIQYMPPLSAAAERFTIASLGLFILFAAIGKLSWAALRQNLVIYLIIGIIGIAGFNLGCFYGLQTTSAVNGALIMATTPL---ITLLLTILLDGEKLTLNKFIGVVFGLSGVLFVISHGHISTLLHLKIAIGDLFILLGGVSFCLANVLSRRYVKNATPLETTTFSMMFGALTLIILSV-----IFEHPSQAIAMAPITAHLAMGYVIICSTMIAYLFWFNGIQKLGAGRASIFFNFVPVFSMLVALLAGQSLNIWQLIGTALVMLGVMSSGGFIQIKRPALIAKPCTK 5GNG Chain:A ((1-214)) ---------------MKTKFYDYQGEHLILYFAGWGTPPDAVNHLI--LPENHDLLICYDYQDLNL--------DFDLSAYRHIRLVAWSMGVWVAERVLQG--IRLKSATAVNGTGLPCDDSFGIPYAIFKGTLENLTENTRLKFERRICGDKASFERYQLFPARPFDEIHQELTALFAMIQQDKRIDLIHWANAWVSSRDKIFTPANQHQYWALRCAVQEIEGEHYVFSRFTHWSALWD--------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 5GNG.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 : 1066 -102262 -95.93 -501.28 target 2D structure prediction score : 0.43 Monomeric hydrophicity matching model chain A : 0.55 3D Compatibility (PKB) : -95.93 2D Compatibility (Sec. Struct. Predict.) : 0.43 1D Compatibility (Hydrophobicity) : 0.55 QMean score : 0.125

(partial model without unconserved sides chains): PDB file : Tito_5GNG.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5GNG-query.scw PDB file : Tito_Scwrl_5GNG.pdb: