Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence --------AVPTNPPDVPTNSPDVPTKPPGRISNTAAGFVNFFK------KKASSST---PPPAECEYTVYRNQETDARRRKH-----SQEGT----------YSFSHHGKAAKNSKQN--------------IFGVKVRFDRECRPHYSSKNQIAVI-----PGIHNDDVIQVDWERFDLHMR--------------- 5JI7 Chain:A ((40-238)) LQRRLKRLYPAVDEQETPLPRSWSPKDKFSYIGLSQNNLRVHYKGHGKTPKDAASVRATHPIPAACGIYYFEVKIVSKGRDGYMGIGLSAQGVNMNRLPGWDKHSYGYHGDDGHSFCSSGTGQPYGPTFTTGDVIGCCVNLINNTCFYTKNGHSLGIAFTDLPPNLYPTVGLQTPGEVVDANFGQHPFVFDIEDYMREW

General information: TITO was launched using: RESULT: Template: 5JI7.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 : 540 31333 58.02 235.58 target 2D structure prediction score : 0.53 Monomeric hydrophicity matching model chain A : 0.63 3D Compatibility (PKB) : 58.02 2D Compatibility (Sec. Struct. Predict.) : 0.53 1D Compatibility (Hydrophobicity) : 0.63 QMean score : 0.041

(partial model without unconserved sides chains): PDB file : Tito_5JI7.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5JI7-query.scw PDB file : Tito_Scwrl_5JI7.pdb: