Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNKNKRKQKHMSLLKEGIKMKDTGSSKQITTMTFIGMTCALVASVRNIP---DVAATSWTMIFYMLVAVLLYAFPISLISGEFAGMFPQKGGPELWVSNALGKKWGFVVSWLLWVQMFPGMVMVASALAPLFGNIIDNVPLGLNSKFTLVVILVVYWIITFLNLK-FDMAKIGGKVGVWLGLYVPLTMMLLLGFAAWIKVGIVPTGTLGSFSWDKLIPDTTTASSFVYFAPIMFIFTGIEMSSVYITRLENPVKTYIRGVFAALIFIFFVNILNALVVANVVPKGQMEL--NNIAQSISIYCQILGLPHLIVNLFSLLVFIGVAVQLSAWASGPAKTVTESARKGAYPPKFNFWKTNQFDVSKSVILTQSVIISIFALFYLLIPGVNQAFLMLVNSTTVIYCIVYVIMGIAVLRLRYTHAKLNRPFRIGKKEKKSNLGVWTVVIVLFAAIGFSVGLTMKAGTWINLIAVTAISVILFVVPLCIEKIKKPSWEQEVAMLLEKEKGELDGKTGNETDSN 3OB6 Chain:B ((5-380)) -----------------------ADAHKVGLIPVTLMVSGNIMGSGVFLLPANLASTGGIAIYGWLVTI-IGALGLSMVYAKMSFLDPSPGGSYAYARRCFGPFLGYQTNVLYWLACWIGAIAMVVIGVGYLSYFFP--ILK-DPLVLTITCVVVLWIFVLLNIVGPKMITRVQAVATVLALIPIV-GIAVFGWFWFRGET--Y---MAAWNV---SGLGTFGAIQSTLNVTLWSFIGVESASVAAGVVKNPKRNVPIATIGGVLIAAVCYVLSTTAIMGMIPNAALRVSASPFGDAARMAL---G--DTAGAIVSFCAAAGCLGSLGGWTLLAGQTAKAAADDGLFPPIF--ARVNKAGTPVAGLIIVGILMTIFQLSSI-SPNATKEFGLVSSVSVIFTLVPYLYTCAALLLLGHGHF-------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3OB6.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 : 2078 -260175 -125.20 -703.17 target 2D structure prediction score : 0.65 Monomeric hydrophicity matching model chain B : 0.68 3D Compatibility (PKB) : -125.20 2D Compatibility (Sec. Struct. Predict.) : 0.65 1D Compatibility (Hydrophobicity) : 0.68 QMean score : 0.356

(partial model without unconserved sides chains): PDB file : Tito_3OB6.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3OB6-query.scw PDB file : Tito_Scwrl_3OB6.pdb: