Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MRQLQLDIEPQLDARISDFSGPGWGHVVDAVRQLHAGLVNRFYIYGGAGTGKSHLLSAICDSYLEVGKSAIKVSLLELLDAPIEAI---------TCLEHYDLVALDDIESISGVPHWQKAVFHLMNN---HEGQLVFSSRVAPIELKLELPDLQSRLTQAVSVKVPSGSLYADRYALVTSVMARRGIHFDQQIVDYLLLHGPHQASVLLQTVAQLEKLLKGEKTKLSNATLRQIYALIDEYQQ 3R8F Chain:A ((26-199)) --------------------------VKEALENL-GSLYNPIFIYGSVGTGKTHLLQAAGNEAKKRGYRVIYSSADDFAQAMVEHLKKGTINEFRNMYKSVDLLLLDDVQFLSGKERTQIEFFHIFNTLYLLEKQIILASDRHPQKLDGVSDRLVSRFEGGILVEIELDN--KTRFKIIKEKLKEFNLELRKEVIDYLL---------------------------------------------

General information: TITO was launched using: RESULT: Template: 3R8F.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 : 658 -10122 -15.38 -64.06 target 2D structure prediction score : 0.61 Monomeric hydrophicity matching model chain A : 0.69 3D Compatibility (PKB) : -15.38 2D Compatibility (Sec. Struct. Predict.) : 0.61 1D Compatibility (Hydrophobicity) : 0.69 QMean score : 0.541

(partial model without unconserved sides chains): PDB file : Tito_3R8F.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3R8F-query.scw PDB file : Tito_Scwrl_3R8F.pdb: