Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence CYHGKLSRKAAESLLVK---DGDFLVRESATSPGQYVLSGLQGGQAKHL-LLVDPEGKVRTKDHVFDNVGHLIRYH 3IN7 Chain:C ((8-83)) WFFGKIPRAKAEEMLSKQRHDGAFLIRESESAPGDFSLSVKFGNDVQHFKVLRDGAGKYFLWVVKFNSLNELVDYH

General information: TITO was launched using: RESULT: Template: 3IN7.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain C - contact count / total energy / energy per contact / energy per residue : 251 6969 27.76 96.78 target 2D structure prediction score : 0.67 Monomeric hydrophicity matching model chain C : 0.78 3D Compatibility (PKB) : 27.76 2D Compatibility (Sec. Struct. Predict.) : 0.67 1D Compatibility (Hydrophobicity) : 0.78 QMean score : 0.735

(partial model without unconserved sides chains): PDB file : Tito_3IN7.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3IN7-query.scw PDB file : Tito_Scwrl_3IN7.pdb: