Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSNSSSQLKRGLKNRHIQLIAMGGAVGTGLFLGSAQVIQSAGPSIILGYAIVGLVAFLIMRQMGEMIVEEPVVGSFSYFAQKYWGRFPGFLSGWNYWVVYILVAMTELTAVAKYVHYWWPHI-PA---WVSVLFFFVLVTCLNLGNVKFYGESEFWLAIIKVAAVISMIVFGLYLLLTAGSDSIASFSNLWQHGGFFPHGFSGLFYMLAFLMFAFGGIELIGMTAAEAENPEKSIPQAINQVIFRILVFYVASLAIIMSLIPWNQLDLGGLDKSPFVMIFSQLGIGWAAHLLNFIILTAALSVYNSGMYANSRMLYGLAVQGNAPKVFAKVSKQGVPTSAVIFSSILIFGCVLLNYFIP--EEALSYLMYMAVAALVLNWAIIGFTHLKFKRSMKLENKIAKFPALFSPLSNYIVLTFIGMILYIMWTQGFEKSVIIIPIWIAFMFGLYTILS 5J4I Chain:A ((5-380)) ------ADAHKVGLIPVTLMVSGNIMGSGVFLLPANLAS-TGGIAIYGWLVTIIGALGLSMVYAKMSFLDPSPGGSYAYARRCFGPFLGYQTNVLYWLACWIGNIAMVVIGVGYLSYFFPILKDPLVLTITCVVVLWIFVLLNIVGPKMITRVQAVATVLALIPIVGIAVFGWFWFR--GE----TYMAAW--NVSGLGTFGAIQSTLNVTLWSFIGVESASVAAGVVKNPKRNVPIATIGGVLIAAVCYVLSTTAIMGMIPNAALRV---SASPFGDAARMALGDTAGAIVSFCAAAGCLGSLGGWTLLAGQTAKAAADDGLFPPIFARVNKAGTPVAGLIIVGILMTIFQLSS-ISPNATKEFGLVSSVSVIFTLVPYLYTCAALLLLGHGHF----------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 5J4I.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 : 2110 -288266 -136.62 -779.10 target 2D structure prediction score : 0.64 Monomeric hydrophicity matching model chain A : 0.67 3D Compatibility (PKB) : -136.62 2D Compatibility (Sec. Struct. Predict.) : 0.64 1D Compatibility (Hydrophobicity) : 0.67 QMean score : 0.404

(partial model without unconserved sides chains): PDB file : Tito_5J4I.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5J4I-query.scw PDB file : Tito_Scwrl_5J4I.pdb: