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:B ((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 B - contact count / total energy / energy per contact / energy per residue : 1142 -15042 -13.17 -68.68 target 2D structure prediction score : 0.60 Monomeric hydrophicity matching model chain B : 0.72 3D Compatibility (PKB) : -13.17 2D Compatibility (Sec. Struct. Predict.) : 0.60 1D Compatibility (Hydrophobicity) : 0.72 QMean score : 0.567

(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: