Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MVNKQLKKKAQEIGNVPTHYELEIEDYDQKQKKYGQAYFIWKDPKDPEKHITVE---LRNDGALLTFSTTVHSETDKKLPDAELKLTA-LQFAAANHPGTFMNFHFQGKEERGQH----IRFVYTKM-ELGLPIPNSGFLID--MTRSGQIVHFLYYGEGHKAEVPTEFVAKEKVVSHY-LNTMSFELMYDVIDGEQEPRLVYEPILPGYSYPADVDEIVPDQHIADERIENTAPLPPLQNKEEVDIFALLGFTSDMQKVSERDFGEQIGSTWRRGAAPERKDLSI-GSYFETRNKNTIKMKTDKRTG-KLKAALSFMDWRNNLQCSTEECQ-EIALQFLYALYPRAAEFFRVNPVRIDERGRVRNHFSVWYKGVPLRFGAARIIVNPETGLI------DAFMAPDIEPEQLEAINHR--PDVSAEEAKEAFLAAFDVKLEWQPDFTAGSDQHCKLVYKPVYPSYIDAHIR-KKKRL 3HSI Chain:A ((4-454)) ----NKTKRAEQNLNNLPFLALQAEQIEFLGSSAEFKTQIIELIRNAKKRIYVTALYWQKDEAGQEILDEIYRVKQEN-PHLDVKVLIDWHRAQRNLLATNADWYCEQRQTYQLPDDPNFFGVPINTREVFGVLHVKGFVFDDTVLYSGASINNVYLHQFEKYRYDRYQKITHAELADSMVNFINDYLL--------DFSAVYPLDVTNRPRTKEIRGNIRAYRKDLAQNGEYSLKSAVKLPNVLSVSPLFGLGAS---------GNELNQVIEDLFLQVQKKLVICTPYFNFPRTLQHKIATLLENGKRVEIIVGDKVANDFYIPPEQPFKMAGALPYLYES--NLRRFCEKFETQIESG---QLVVRLWRDG-DNTYHLKGVWVDDRYILLTGNNLNPRAWRLDAENGLLIYDPQQQLLAQVEKEQNQIRQHTKVLKHYTELEELNQYPEPVQKLLKKFARIKADKLVKMIL---

General information: TITO was launched using: RESULT: Template: 3HSI.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 : 2164 -40196 -18.57 -95.25 target 2D structure prediction score : 0.46 Monomeric hydrophicity matching model chain A : 0.64 3D Compatibility (PKB) : -18.57 2D Compatibility (Sec. Struct. Predict.) : 0.46 1D Compatibility (Hydrophobicity) : 0.64 QMean score : 0.222

(partial model without unconserved sides chains): PDB file : Tito_3HSI.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3HSI-query.scw PDB file : Tito_Scwrl_3HSI.pdb: