Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSQTKKDQPKGNLAWWQLSLIGVGCTIGTGFFLGSSIAIVKSGFSVLLSFLIAGIGTYFVFEQLAKLSAKQPEKGSFCAYARKAFGKWAGFSNGWVYWTSEMLITGSQLTAISLFTKHWFPQV-PLWV---FASIYAVLGLLIIFTGLSVFEKTENVLAVIKTAAIFMFIVIAILALCGILSGGNHGIHVPNKTSEFFPYGAMGLWTGLIYAFYAFGGIEVMGLMAVHLKKPEEASKSGKL-MLATLAIIYIISIGLALLLVPLHTFTEQDSPFITSLKGYNLEIILDIFNGIFIIAGFSTLVASLFAVTTLLCTMADDGDAPKCFTLKEGKKICWPALGLTFAGLVLSIILSLVLP--KNIYEHMTTAAGLMLLYTWLFILFSSKKLTDPEGMGKTQIYLAMVLIAAAVSGTLFEKSSRPGFFVSIGFLVIIAIVTMIYQKKQGHKDRPASP 3L1L Chain:A ((7-378)) ---------AHKVGLIPVTLMVSGAIMGSGVFLLPANLAS-TGGIAIYGWLVTIIGALGLSMVYAKMSFLDPSPGGSYAYARRCFGPFLGYQTNVLYWLACWIGNIAMVVIGVGYLSYFFPILKDPWVLTITCVVVLWIFVLLNIVGPKMITRVQAVATVLALIPIVGIAVFGWFW------FRGETYM-A------------AIQSTLNVTLWSFIGVESASVAAGVVKNPKRNVPIATIGGVLIAAVCYVLSTTAIMGMIPNAALRVSASPFGDAARMALGDTAGAIVSFCAAAGCLGSLGGWTLLAGQTAKAAADDGLFPPIFARVNKAGTPVAGLIIVGILMTIFQLSS-ISPNATKEFGLVSSVSVIFTLVPYLYTCAALLLLGHG--------------------------------------------------------------

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 : 2055 -315017 -153.29 -889.88 target 2D structure prediction score : 0.63 Monomeric hydrophicity matching model chain A : 0.68 3D Compatibility (PKB) : -153.29 2D Compatibility (Sec. Struct. Predict.) : 0.63 1D Compatibility (Hydrophobicity) : 0.68 QMean score : 0.403

(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: