Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
| Query sequence | MRYIDDGLENQTILITGGAGFVGSNLAFYFQENHPKAKVVVLDKFRSNTLSSNNRPSSLGHFKNLIGFKGEVIIADINNPLDLRRLEKL-HFDYLFHQAAVSDTTM--LNQELVMKTNYQAFLNLLEIARSKKA-KVIYASSAGVYGNTKAPNIVG--SNESPENVYGFSKLCMDEFVLSHS--S-DNVVGLRYFNVYGSREFYKE-----KTASMVLQLALSAM-AFKEVKLFE------FGEQLRDFVYIEDVIQANVKAMKA----QKSGVYNVGYSQARSYNEIVSILKEHLGDFKVSYIKNPYTF-FQKHTQAHIEPTILDLDYTPLY-DLESGIKDYLPHIHAIFKEQHA |
| 2C20 Chain:A ((2-326)) | ----------NSILICGGAGYIGSHAVKKLVDE--GLSVVVVDNLQTGH-------------EDAITEGAKFYNGDLRDKAFLRDVFTQENIEAVMHFAADSLVGVSMEKPLQYYNNNVYGALCLLEVMDEFKVDKFIFSSTAATYGEVDVDLITEETMT-NPTNTYGETKLAIEKMLHWYSQASNLRYKIFRYFNVAGATPNGIIGEDHRPETHLIPLVLQVALGQREKIMMFGDDYNTPDGTCIRDYIHVEDLVAAHFLGLKDLQNGGESDFYNLGNGNGFSVKEIVDAVREVTN-HEIPAEVAPRRAGDPARLVASSQKAKEKLGWDPRYVNVKTIIEHAWNWHQKQPNGYEK |
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General information:
TITO was launched using:
| RESULT:
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Template: 2C20.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -165316 for 2530 contacts (-65.3/contact) +
2D Compatibility (PS) -31981 + (NN) -11830 + (LL) 456
1D Compatibility (HY) -10800 + (ID) 3600
Total energy: -223071.0 ( -88.17 by residue)
QMean score : 0.493
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