Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MGNTRKKVSVIGAGFTGATTAFLIAQKE-LADVVLVDIPQLENPTKGKALDMLEASPVQGFDAKITGTSNYEDTAGSDIVVITAGIARKPGMSRDDLVSTNEKIMRSVTQEIVKYSPDSIIVVLTNPVDAMTYAVYKESGFPKERVIGQSGVLDTARFRTFVAEELNLSVKDVTGFVLGGHGDDMVPLVRYSYAGGIPLETLIP-----KERIDAIVERTRKGGGEIVNLLGNGSAYYAPAASLTEMVEAILKDQRRVLPTIAYLEGEYGYEGIYLGVPTIVGGNGLEQIIELELTDYERAQLNKSVESVKNVMKVLS 4ND2 Chain:A ((1-313)) -MIERRKIAVIGSGQIGGNIAYIVGKDNLA-DVVLFDIA-EG-IPQGKALDITHSMVMFGSTSKVIGTNDYADISGSDVVIITASIPGRPKDDRSELLFGNARILDSVAEGVKKYCPNAFVICITNPLDVMVSHFQKVSGLPHNKVCGMAGVLDSSRFRTFIAQHFGVNASDVSANVIGGHGDGMVPATSSVSVGGVPLSSFIKQGLITQEQIDEIVCHTRIAWKEVADNLKTGTAYFAPAAAAVKMAEAYLKDKKAVVPCSAFCSNHYGVKGIYMGVPTIIGKNGVEDILELDLTPLEQKLLGESINEVNTISKVL-

General information: TITO was launched using: RESULT: Template: 4ND2.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 : 1778 -38610 -21.72 -125.77 target 2D structure prediction score : 0.65 Monomeric hydrophicity matching model chain A : 0.84 3D Compatibility (PKB) : -21.72 2D Compatibility (Sec. Struct. Predict.) : 0.65 1D Compatibility (Hydrophobicity) : 0.84 QMean score : 0.567

(partial model without unconserved sides chains): PDB file : Tito_4ND2.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4ND2-query.scw PDB file : Tito_Scwrl_4ND2.pdb: