Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MILLAILFTCFSVYLELEVPTYISKITDLLGSQGTNLDELWQPASMMMGMP--FLAFLSVVAVGFFASRVAAS-YTSRLRSDIFNRVLDYSQTEIKKFSIPSLLMRTTNDITQVQMLITMDLQVVTCGPIMAIWAIGKILGHSEYWLWAVLVAVIVNVLMTTVLMTLAFPK--QSLIQGLTDKLNSITR---ESLTGIRVVRAYNAEDYQNEKFAAVNDELTR 4AYX Chain:A ((24-236)) ----AVGFLTMSSVISMSAPFFLGKIIDVIYTNPT-VDYSDNLTRLCLGLSAVFLCGAAANAIRVYLMQTSGQRIVNRLRTSLFSSILRQEVAFFDKTRTGELINRLSSDTALLGRSVTENLSDGLRAGAQASVGISMM-----FFVSPNLATFVLSVVPPVSIIAVIYGRYLRKLTKVTQDSLAQATQLAEERIGNVRTVRAFGKEMTEIEKYASKVDHVMQ

General information: TITO was launched using: RESULT: Template: 4AYX.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 : 312 -36539 -117.11 -178.24 target 2D structure prediction score : 0.66 Monomeric hydrophicity matching model chain A : 0.72 3D Compatibility (PKB) : -117.11 2D Compatibility (Sec. Struct. Predict.) : 0.66 1D Compatibility (Hydrophobicity) : 0.72 QMean score : 0.210

(partial model without unconserved sides chains): PDB file : Tito_4AYX.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4AYX-query.scw PDB file : Tito_Scwrl_4AYX.pdb: