Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MITVKNIRKAFK--DLVVLDGIDLEVKRGEVVAIIGPSGSGKSTLLRCLNLLERPDQGLIEIGEAKLNAEKFTRKEAHRLRQQTAMVFQNYNLFKNKTALQNITEALI-VAQHKPRDEAKRIGM-EILKQV--GLEHKADSYPITMSGGQQQRIGIARALAVNPHAILLDEPTSALDPELVTGVLQVIKSIAEKQTTMIIVTHEMAFAKEVADQVIFMADGHIIEQGTPEELFDHPKNERTKRFIKQVGEPAELI 2FGJ Chain:D ((8-236)) -ITFRNIRFRYKPDSPVILDNINLSIKQGEVIGIVGRSGSGKSTLTKLIQRFYIPENGQVLI-----DGHDLALADPNWLRRQVGVVLQD-NVLLNRSIIDNISLANPGMSVEKVIYAAKLAGAHDFISELREGYNTIVGEQGAGLSGGQRQRIAIARALVNNPKILIFDEATSALDYESEHVIMRNMHKIC-KGRTVIIIAARLSTVKN-ADRIIVMEKGKIVEQGKHKELLSEPES-----------------

General information: TITO was launched using: RESULT: Template: 2FGJ.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 : 1116 -2068 -1.85 -9.27 target 2D structure prediction score : 0.48 Monomeric hydrophicity matching model chain D : 0.79 3D Compatibility (PKB) : -1.85 2D Compatibility (Sec. Struct. Predict.) : 0.48 1D Compatibility (Hydrophobicity) : 0.79 QMean score : 0.488

(partial model without unconserved sides chains): PDB file : Tito_2FGJ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2FGJ-query.scw PDB file : Tito_Scwrl_2FGJ.pdb: