Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNKNKRKQKHMSLLKEGIKMKDTGSSKQITTMTFIGMTCALVASVRNIPDVAATSWTMIFYMLVAVLLYAFPISLISGEFAGMFPQKGGPELWVSNALGKKWGFVVSWLLWVQMFPG---MVMVASALAPLFGNIIDNVPLGLNSKFTLVVILVVYWIITFLNL-KFDMAKIGGKVGVWLGLYVPLTMMLLLGF---------AAWIKVGIVPTGTLGSFSWDKLIPDTTTASSFVYFAPIMFIFTGIEMSSVYITRLENPVK----TYIRGVF-AALIFIFFVN-----ILNALVVANVVPKG---QMELNNIAQSISIYCQILGLPHLIVNLFSLLVFIGVAVQLSAWASGPAKTVTESARKGAYPPKFNFWKTNQFDVSKSVILTQSVIISIFALFYLLIPGVNQAFLMLVNSTTVIYCIV-YVIMGIAVLRLRYTHAKLNRPFRIGKKEKKSNLGVWTVVIVLFAAIGFSVGLTMKAGTWINLIAVTAISVILFVVPLCIEKIKKPSWEQEVAMLLEKEKGELDGKTGNETDSN 3L1L Chain:A ((31-403)) -----------------------------------------------LPANLASTGGIAIYGWLVTIIGALGLSMVYAKMSFLDPSPGGSYAYARRCFGPFLGYQTNVLYWLACWIGNIAMVVIGVGYLSYFFPILKD-PWVLT-----ITCVVVLWIFVLLNIVGPKMITRVQAVATVLAL-IPIVGIAVFGWFWFRGETYMA--------------A------IQSTLNVT--------LWSFIGVESASVAAGVVKNPKRNVPIATIGGVLIAAVCYVLSTTAIMGMIPNAALRVSASPFGDAARMALGDTAGAIVSFCAAAGC-------------LG---SLGGWTLLAGQTAKAAADDGLFPPIFA--RVNKAGTPVAGLIIVGILMTIFQLSS-ISPNATKEF-GLVSSVSVIFTLVPYLYTCAALLLLGHGHFGKARPAYLAVTTIAFLYCIWAVV--------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3L1L.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 : 1747 -205012 -117.35 -611.98 target 2D structure prediction score : 0.58 Monomeric hydrophicity matching model chain A : 0.63 3D Compatibility (PKB) : -117.35 2D Compatibility (Sec. Struct. Predict.) : 0.58 1D Compatibility (Hydrophobicity) : 0.63 QMean score : 0.201

(partial model without unconserved sides chains): PDB file : Tito_3L1L.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3L1L-query.scw PDB file : Tito_Scwrl_3L1L.pdb: