Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSIATEAVMKQEVYQVNGMNLWYGQHHALKNINLSIYENEVTAIIGPSGCGKSTFIKTLNLMIQMTPNVKLAGELNYNGSNILKDKVDIVDLRKNIGMVFQKGNPFPQ-SIFDNVAYGP----RVHGTKNKKKLQEIVEKSLKDVALWDEVKDRLHTSALSLSGGQQQRLCIARALATNPDILLMDEPTSALDPISTRKIEELILEL-KDKYTIVIVTHNMQQAARVSDQTAFFYMGELVECDNTNKMFSNPKDQRTLDYISGKFG 4U02 Chain:D ((2-238)) ----------EPIIRIRNLHKWFGPLHVLKGIHLEVAPGEKLVIIGPSGSGKSTLIRTINRLEDFQ-----EGEVVVDGLSV-KDDRALREIRREVGMVFQQFNLFPHMTVLENVTLAPMRVRRWPREKAEKKALELLER----VGILDQAR----KYPAQLSGGQQQRVAIARALAMEPKIMLFDEPTSALDPEMVGEVLDVMRDLAQGGMTMVVVTHEMGFAREVADRVVFMDGGQIVEEGRPEEIFTRPKEERTRSFL-----

General information: TITO was launched using: RESULT: Template: 4U02.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain D - contact count / total energy / energy per contact / energy per residue : 1248 -21240 -17.02 -91.95 target 2D structure prediction score : 0.71 Monomeric hydrophicity matching model chain D : 0.80 3D Compatibility (PKB) : -17.02 2D Compatibility (Sec. Struct. Predict.) : 0.71 1D Compatibility (Hydrophobicity) : 0.80 QMean score : 0.499

(partial model without unconserved sides chains): PDB file : Tito_4U02.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4U02-query.scw PDB file : Tito_Scwrl_4U02.pdb: