Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSSKLLRGTFVLTLGTYISRILGMVYLIPFSIMVGATGGALFQYGYNQYTLFLNIATMGFPAAVSKFVSKYNSKGDYETSRKMLKAGMSVMLVTGMIAFFILYLSAPMFAEISLGGKDNNGLTIDHVVYV-IRMVSLALLVVPIMSLVRGFFQGHQMMGPTAVSQVVEQIVRIIFLLSATFLILKVFNGGLVIAVGYATFAALIGAFGGLVVLYIYWNKRKGSLLAMMPNTGPTANLSYKKMFFELFSYAAPYVFVGLAIPLYNYIDTNTFNKAMIEAGHQAISQDMLAILTLYVQKLVMIPVSLATAFGLTLIPTITESFTSGNYKLLNQQINQTMQTILFLIIPAVVGISLLSGPTYTFFYGSESLHPELGANILLWYSPVAILFSLFTVNAAILQGINKQKFAVVSLVIGVVIKLVLNVPLIKLMQADGAILATALGYIASLLYGFIMIKRHAGYSYKILVKRTVLMLVLSAIMGIAVKIVQWVLGFFISYQDGQMQAAIVVVIAAAVGGAVYLYCGYRLGFLQKILGRRLPGFFRKGRHAG 4XI6 Chain:A ((1-378)) ------SRVMVEGVGARVVR------------------GPDWKWGKQD-------GGEGHVGTVRSFESP-------EEVVVVWDNGTAANYRCSGAYDLRILDSAPT-------GIKHDGTMCDTCRQQPIIGIRWKCAECTNYDLCTVCYHGDK-------HHLRHRFYRITTPGSERVLLESRRKSKKITARGIFA--------GARVVRGVDWQ---------WEDQDGGNGRRGKVTEIQDWSASSPH---SAAYVLWDNGAKNLYRV-----GFEGMS-DLKCVQDAKGGSFYRDHCPVLGLVNIDLDLEIVQSLQHGHGGW-TDGMFETLTTT-----GTVCGID--EDHDIVVQYPSGN---------------------RWTFNPAVLTKASQFQ-------VGDLVQVCYDLERIKLLQRG-----------------------HGEWAEAMLPT-----------LGKVGRVQQI-------YSDSDLKVEV---------------CGTSWTYNPAAVSKV------------

General information: TITO was launched using: RESULT: Template: 4XI6.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 : 2072 -105511 -50.92 -291.47 target 2D structure prediction score : 0.26 Monomeric hydrophicity matching model chain A : 0.56 3D Compatibility (PKB) : -50.92 2D Compatibility (Sec. Struct. Predict.) : 0.26 1D Compatibility (Hydrophobicity) : 0.56 QMean score : 0.206

(partial model without unconserved sides chains): PDB file : Tito_4XI6.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4XI6-query.scw PDB file : Tito_Scwrl_4XI6.pdb: