Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | ---MEMRNTTPDFILLGL--FNHTRAHQVLFMMVLSIVLT--------------SLFGNS-------------LMILLIHWDHRLHTPMYFLLSQLSLMDMM----------------------------LVSTTVPKMAADYLTGSKAISRAGCGVQIFFL--------PTLGGG----------ECFLLAAMAYDRYAAVCHPLRYPTLMS---------WQLCLRM---TMSCWLLG-----------AADGLLQAVVTLSFPYCGAHE--------IDHFFCETPVLVR----LACADTSVFENAMYICCVLMLLVPFS--------LILSSYGLILAAVLHMRSTEARKKAFATCSSHVA--------------VVGLFYGAAIFT------YMRPK------------SHRSTNHDKVVSAFYTMFTP-------LLNPLIYSVKNSEVKGALKRWLGTCVNIKHQQNEAHRSR |
3KMQ Chain:A ((1-476)) | GLIVDTRDVEERVHVMRKTKLAPTVAHGVFNPEFGPAALSNKDPRLNEGVVLDEVIFSKHKSDTKMSAEDKALFRRCAADYASRLHSVLGTANAPLSIYEAIKGVDGLDAMEPDTAPGLPWALQGKRRGALIDFENGTVGPEVEAALKLMEKREYKFACQTFLKDEIRPMEKVRAGKTRIVDVLPVEHILYTRMMIGRFCAQMHSNNGPQIGSAVGCNPDVDWQRFGTHFAQYRNVWDVDYSAFDANHCSDAMNIMFEEVFRTEFGFHPNAEWILKTLVNTEHAYENKRITVEGGMPSGCSATSIINTILNNIYVLYALRRHYEGVELDTYTMISYGDDIVVASDYDLDFEALKPHFKSLGQTITPADKSDKGFVLGHSITDVTFLKRHFHMDYGTGFYKPVMASKTLEAILSFARRGTIQEKLISVAGLAVHSGPDEYRRLFEPFQGLFEIPSYRSLYLRWVNAVC----GDAAALEHH |
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General information:
TITO was launched using:
| RESULT:
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Template: 3KMQ.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -282227 for 2095 contacts (-134.7/contact) +
2D Compatibility (PS) -32763 + (NN) -2347 + (LL) 232
1D Compatibility (HY) -12000 + (ID) 2800
Total energy: -331905.0 ( -158.43 by residue)
QMean score : 0.114
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