Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MKEKSL---LVKAGRKFEDYKGSMNPPVYHSSTILFPTYKDYLDAADGKNIYGVVNDGIARDYSYGSVGTPTVHYFSNALAEIEGRGQALIYPSGLFALTFAILTFARAGSHVLIQDNSYYRLRRFAENELPKRRVEVTFYDPT--QDIASLIQSNTRLIMIETPGSVTFEVSNIEHIVKIAKE--HKIVTVCDNSWATPLLFRPLDYGIDVALYGVTKYIAGHSDLLMGAIIAEGEVFKLLYEICKNYGVTVQPYDCYLAHRGLRTLGTRMRKHQSTAMKVAKWLEKHSKIKKVLYPALPSHPQHELWKSYFKGASGVFSIVLDREYSCEELSCMVDHMKIFSIGASWGGCDSLILPIDRKSVS--RSVMSSDYSGSFIRIFCGLEDPEDLISDLNAALARLPCLGFQADEVGHDTKRITA |
2GQN Chain:B ((24-414)) | ---KKLDTQLVNAGRSKKYTLGAVNSVIQRASSLVF-------DSVEAKK-HATRNRANGELF-YGRRGTLTHFSLQQAMCELEGGAGCVLFPCGAAAVANSILAFIEQGDHVLMTNTAYEPSQDFCSKILSKLGVTTSWFDPLIGADIVKHLQPNTKIVFLESPGSITMEVHDVPAIVAAVRSVVPDAIIMIDNTWAAGVLFKALDFGIDVSIQAATKYLVGHSDAMIGTAVCNARCWEQLRENAYLMGQMVDADTAYITSRGLRTLGVRLRQHHESSLKVAEWLAEHPQVARVNHPALPGSKGHEFWKRDFTGSSGLFSFVLKKKLNNEELANYLDNFSLFSMAYSWGGYESLILANQPEHIAAIRPQGEIDFSGTLIRLHIGLEDVDDLIADLDAGFARIV------------------ |
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General information:
TITO was launched using:
| RESULT:
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Template: 2GQN.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -306167 for 3360 contacts (-91.1/contact) +
2D Compatibility (PS) -41977 + (NN) -23227 + (LL) 1616
1D Compatibility (HY) -27600 + (ID) 7200
Total energy: -404555.0 ( -120.40 by residue)
QMean score : 0.576
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