Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MKEKSL---LVKAGRKFEDYKGSMNPPVYHSSTILFPTYKDYLDAADGKNIYGVVNDGIARDYSYGSVGTPTVHYFSNALAEIEGRGQALIYPSGLFALTFAILTFARAGSHVLIQDNSYYRLRRFAENELPKRRVEVTFYDPT--QDIASLIQSNTRLIMIETPGSVTFEVSNIEHIVKIAKE--HKIVTVCDNSWATPLLFRPLDYGIDVALYGVTKYIAGHSDLLMGAIIAEGEVFKLLYEICKNYGVTVQPYDCYLAHRGLRTLGTRMRKHQSTAMKVAKWLEKHSKIKKVLYPALPSHPQHELWKSYFKGASGVFSIVLDREYSCEELSCMVDHMKIFSIGASWGGCDSLILPIDRKSVS--RSVMSSDYSGSFIRIFCGLEDPEDLISDLNAALARLPCLGFQADEVGHDTKRITA |
4ITG Chain:B ((4-394)) | ---KKLDTQLVNAGRSKKYTLGAVNSVIQRASSLVF-------DSVEAKK-HATRNRANGELF-YGRRGTLTHFSLQQAMCELEGGAGCVLFPCGAAAVANSILAFIEQGDHVLMTNTAYESSQDFCSKILSKLGVTTSWFDPLIGADIVKHLQPNTKIVFLESPGSITMEVHDVPAIVAAVRSVVPDAIIMIDNTWAAGVLFKALDFGIDVSIQAATKYLVGHSDAMIGTAVCNARCWEQLRENAYLMGQMVDADTAYITSRGLRTLGVRLRQHHESSLKVAEWLAEHPQVARVNHPALPGSKGHEFWKRDFTGSSGLFSFVLKKKLNNEELANYLDNFSLFSMAYSWGGYESLILANQPEHIAAIRPQGEIDFSGTLIRLHIGLEDVDDLIADLDAGFARIV------------------ |
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General information:
TITO was launched using:
| RESULT:
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Template: 4ITG.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -298578 for 3372 contacts (-88.5/contact) +
2D Compatibility (PS) -41761 + (NN) -21405 + (LL) 1616
1D Compatibility (HY) -27600 + (ID) 7200
Total energy: -394928.0 ( -117.12 by residue)
QMean score : 0.566
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