Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MSSSPGPAPVLDSSKADRGASPALLPRLYASPLGMDNQTVCIPSPYVEACQDYSPPHGGEFNHGALTLYSPVSSAVLGFHRPPVSESLVPLSPTILWPPHSLHCPPPLAYSETRSHSAWEEAKTHTLSQSSSVLSHTKLLGQQLEGDNGLNPSASIVGKGDTHFCAVCHDYASGYHYGVWSCEGCKAFFKRSIQGHNDYICPATNQCTIDKSRRKSCQACRLRKCYEVGMMKCGVRRERCSYRGARHRRNPQIRDSSGGVVGLRGQSQQHLEFPLSPSQHLFPSGGRAEGRALNYSPEQLVSCILEAEPPQIYLREPVKKPYTEASMMMSLTSLADKELVLMISWAKKIPGFVELTLSDQVHLLECCWLDILMLGLMWRSVDHPGKLIFTPDLKLNREEGNCVEGIMEIFDMLLATTSRFRELKLQREEYVCLKAMILLNSNNCSSLPQTPEDVESRGKVLNLLDSVTDALVWIISRTGLSSQQQSIRLAHLLMLLSHIRHLSNKGIEHLSNMKRKNVVLLYDLLLEMLDANASQSSRMLEDRQQSPENLHTSRPQPDLKDSDQETPHSPRAEEMVNKTLHSSLLREDMDTN |
1U3R Chain:B ((4-239)) | -------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------SPEQLVLTLLEAEPPHVLISRP-SAPFTEASMMMSLTKLADKELVHMISWAKKIPGFVELSLFDQVRLLESCWMEVLMMGLMWRSIDHPGKLIFAPDLVLDRDEGKCVEGILEIFDMLLATTSRFRELKLQHKEYLCVKAMILLNS-S------------SSRKLAHLLNAVTDALVWVIAKSGISSQQQSMRLANLLMLLSHVRHASNKGMEHLLNMKCKNVVPVYDLLLEMLNAHVLR--------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 1U3R.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -177657 for 1732 contacts (-102.6/contact) +
2D Compatibility (PS) -24951 + (NN) -23414 + (LL) 14844
1D Compatibility (HY) -34400 + (ID) 8300
Total energy: -253878.0 ( -146.58 by residue)
QMean score : 0.609
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