Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MRQLQLDIEPQLDARISDFSGPGWGHVVDAVRQLHAGLVNRFYIYGGAGTGKSHLLSAICDSYLEVGKSAIKVSLLELLDAPIEAITCLEHYDLVALDDIESISGVPHWQKAVFHLMNNHEG----QLVFSSRVAPIELKLELPDLQSRLTQAVSVKVPSGSLYADRYALVTSVMARRGIHFDQQIVDYLLLHGPHQASVLLQTVAQLEKLLKGEKTKLSNATLRQIYALIDEYQQ 2KJQ Chain:A ((1-149)) MGHHHHHHSHMDYPSFDKFLGTENAELVYVLRHKHG---QFIYVWGEEGAGKSHLLQAWVAQALEAGKNAAYIDA-----ASMPLTDAAFEAEYLAVDQVEKLGN--EEQALLFSIFNRFRNSGKGFLLLGSEYTPQQLVI-REDLRTRMAYCLVYEVKP----------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 2KJQ.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 : 577 -51413 -89.10 -354.57 target 2D structure prediction score : 0.61 Monomeric hydrophicity matching model chain A : 0.64 3D Compatibility (PKB) : -89.10 2D Compatibility (Sec. Struct. Predict.) : 0.61 1D Compatibility (Hydrophobicity) : 0.64 QMean score : 0.418

(partial model without unconserved sides chains): PDB file : Tito_2KJQ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2KJQ-query.scw PDB file : Tito_Scwrl_2KJQ.pdb: