Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MGNTRKKVSVIGAGFTGATTAFLIAQKELADVVLVDIPQLENPTKGKALDMLEASPVQGFDAKITGTSNYEDTAGSDIVVITAGIARKPGMSRDDLVSTNEKIMRSVTQEIVKYSPDSIIVVLTNPVDAMTYAVYKESGFPKERVIGQSGVLDTARFRTFVAEELNLSVKDVTGFVLGGHGDDMVPLVRYSYAGGIPLETLI-----PKERIDAIVERTRKGGGEIVNLLGNGSAYYAPAASLTEMVEAILKDQRRVLPTIAYLEGEYGYEGIYLGVPTIVGGNGLEQIIELELTDYERAQLNKSVESVKNVMKVLS 3GVH Chain:D ((6-316)) ---ARNKIALIGSGMIGGTLAHLAGLKELGDVVLFDIA--EGTPQGKGLDIAESSPVDGFDAKFTGANDYAAIEGADVVIVTAGVP-----SRDDLLGINLKVMEQVGAGIKKYAPEAFVICITNPLDAMVWALQKFSGLPAHKVVGMAGVLDSARFRYFLSEEFNVSVEDVTVFVLGGHGDSMVPLARYSTVAGIPLPDLVKMGWTSQDKLDKIIQRTRDGGAEIVGLLKTGSAFYAPAASAIQMAESYLKDKKRVLPVAAQLSGQYGVKDMYVGVPTVIGANGVERIIEIDLDKDEKAQFDKSVASVAGLCEAC-

General information: TITO was launched using: RESULT: Template: 3GVH.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain D - contact count / total energy / energy per contact / energy per residue : 1665 -123327 -74.07 -409.72 target 2D structure prediction score : 0.63 Monomeric hydrophicity matching model chain D : 0.88 3D Compatibility (PKB) : -74.07 2D Compatibility (Sec. Struct. Predict.) : 0.63 1D Compatibility (Hydrophobicity) : 0.88 QMean score : 0.572

(partial model without unconserved sides chains): PDB file : Tito_3GVH.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3GVH-query.scw PDB file : Tito_Scwrl_3GVH.pdb: