Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MRQLQLDIEPQLDARISDFSGPGWGHVVDAVRQLHAG-LVNRFYIYGGAGTGKSHLLSAICDSYLEVGKSAIKVSLLELLDAPIEAITCLEHYDLVALDDIESISGVPHWQKAVFHLMNN----HEGQLVFSSRVAPIELKLELPDLQSRLTQAVSVKVPSGSLYADRYALVTSVMARRGIHFDQQIVDYLLLHGPHQASVLLQTVAQLEKLLKGEKTKLSNATLRQIYALIDEYQQ 3SC3 Chain:A ((14-145)) ------------------YPAAGNDELIGALKSAASGDGVQAIYLWGPVKSGRTHLIHAACARANELERRSFYIPLGIHASISTALLEGLEQFDLICIDDVDAVAGHPLWEEAIFDLYNRVAEQKRGSLIVSASASPMEAGFVLPDLVSR---------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3SC3.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 : 565 -27148 -48.05 -213.76 target 2D structure prediction score : 0.59 Monomeric hydrophicity matching model chain A : 0.67 3D Compatibility (PKB) : -48.05 2D Compatibility (Sec. Struct. Predict.) : 0.59 1D Compatibility (Hydrophobicity) : 0.67 QMean score : 0.522

(partial model without unconserved sides chains): PDB file : Tito_3SC3.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3SC3-query.scw PDB file : Tito_Scwrl_3SC3.pdb: