Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSSKLLRGTFVLTLGTYISRILGMVYLIPFSIMVGATGGALFQYGYNQYTLFLNIATMGFPAAVSKFVSKYNSKGDYETSRKMLKAGMSVMLVTGMIAFFILYLSAPMFAEISLGGKDNNGLTIDHVVYVIRMVSLALLVVPIMSLVRGFFQGHQMMGPTAVSQVVEQIVRIIFLLSATFLILKVFNGGLVIAVGYATFAALIGAFGGLVVLYIYWNKRKGSLLAMMPNTGPTANLSYKKMFFELFSYAAPYVFVGLAIPLYNYIDTNTFNKAMIEAGHQAISQDMLAILTLYVQKLVMIPVSLATAFGLTLIPTITESFTSGNYKLLNQQINQTMQTILFLIIPAVVGISLLSGPTYTFFYGSE---SLHPELGANILLWYSPVAILFSLFTVNAAILQGINKQKFAVVSLVIGV-VIKLVLNVPLI-------KLMQADGAILATALGYIASLLYGFIMIKRHAGYSYKILVKRTVLMLVLSAIMGIAVKIVQWVLGFFISYQDGQMQAAIVVVIAAAVGGAVYLYCGYRLGFLQKILGRRLPGFFRKGRHAG 3MKT Chain:A ((13-448)) --SNLIKLATPVLIASVAQTGMGFVDTIMAGG-VSAIDMAAVSIAASIWLPSILF-GVGLLMALVPVVAQLNGAGRQHKIPFEVHQGLILALLVSVPIIAVL-FQTQFIIRFMD-VEE---AMATKTVGYMHAVIFAVPAYLLFQALRSFTDGMSLTKPAMVIGFIGLLLNIPLNWIFVYGKF---GAPELGGV-GCGVATAIVYWIMLLLLLFYIVTSKRLAHVK---VFETFHKPQPKELIRLFRLGFPVAAALFFEVTLFAVVALLVAPL-G--------STVVAAHQVALN-FSSLVFMFPMSIGAAVSIRVGHKLGEQDTKGAAIAANVGLMTGLATACITALLTVLFREQIALL-YTENQVVV-A--LAMQLLLFAAIYQCMDAVQVVAAGSLRGYKDMTAIFHRTFISYWVLGLPTGYILGMTNWLTEQPLGAKGFWLGFIIGLSAAALMLGQRLYWLQ-----------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3MKT.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 : 2409 -349586 -145.12 -822.55 target 2D structure prediction score : 0.53 Monomeric hydrophicity matching model chain A : 0.64 3D Compatibility (PKB) : -145.12 2D Compatibility (Sec. Struct. Predict.) : 0.53 1D Compatibility (Hydrophobicity) : 0.64 QMean score : 0.182

(partial model without unconserved sides chains): PDB file : Tito_3MKT.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3MKT-query.scw PDB file : Tito_Scwrl_3MKT.pdb: