Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTIDHSVTNTEQLEQQNPAIKTKLKLKKLKDQVIVITGASSGIGLVTA-RMAAEKGAKVVAAARNEEALKELTDELKEKGHDAIWVKADVGKEEDVNRIAETAISTFGRFDTWVNNAAVSTFGHAMDVTVEDMKRMFDTNFWGPVYGTRAAVKHYTGRGVPGALINVGSLFGDRGTVIQSTYASAKFALHGWTESIRMELEKEQAP--VSVTLIHPGRIDTPYNEHAHSYLDK-QPAHYRSM-----IYPPEAVAEAILFAAEHPKRDMYIGSQAKAIAMLGALFPRLTDRLMEKIMYHSQHAERPSNPREESALYDAGCGMHDRGTNKGWMRSRSYYTKATKRPIVSAAVVAGLVAWAAAKRCR 3AY6 Chain:D ((13-240)) ----------------------------LKDKVVVITGGSTGLGRAMAVRFGQEEAKVVINYYNNEEEALDAKKEVEEAGGQAIIVQGDVTKEEDVVNLVQTAIKEFGTLDVMINNAGVENPVPSHELSLDNWNKVIDTNLTGAFLGSREAIKYFVENDIKGNVINMSSVHEMIPWPLFVHYAASKGGMKLMTETLALEY----APKGIRVNNIGPGAMNTPIN--AEKFADPVQRADVESMIPMGYIGKPEEVAAVAAFLA-------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3AY6.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 : 1142 -14956 -13.10 -68.29 target 2D structure prediction score : 0.61 Monomeric hydrophicity matching model chain D : 0.72 3D Compatibility (PKB) : -13.10 2D Compatibility (Sec. Struct. Predict.) : 0.61 1D Compatibility (Hydrophobicity) : 0.72 QMean score : 0.545

(partial model without unconserved sides chains): PDB file : Tito_3AY6.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3AY6-query.scw PDB file : Tito_Scwrl_3AY6.pdb: