Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MGLLSSKRQVSEKGKGWSPVKIRTQDKAPPPLPPLVVFNHLAPPSPNQDPDEEERFVVALFDYAAVNDRDLQVLKGEKLQVLRSTGDWWLARSLVTGREGYVPSNFVAPVETLEVEKWFFRTISRKDAERQLLAPMNKAGSFLIRESESNKGAFSLSVKDITTQGEVVKHYKIRSLDNGGYYISPRITFPTLQALVQHYSKKGDGLCQKLTLPCVNLAPKNLWAQDEWEIPRQSLKLVRKLGSGQFGEVWMGYYKNNMKVAIKTLKEGTMSPEAFLGEANVMKTLQHERLVRLYAVVTREPIYIVTEYMARGCLLDFLKTDEGSRLSLPRLIDMSAQVAEGMAYIERMNSIHRDLRAANILVSETLCCKIADFGLARIIDSEYTAQEGAKFPIKWTAPEAIHFGVFTIKADVWSFGVLLMEIVTYGRVPYPGMSNPEVIRSLEHGYRMPCPETCPPELYNDIITECWRGRPEERPTFEFLQSVLEDFYTATEGQYELQP |
3BYU Chain:A ((7-277)) | ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------KPWWEDEWEVPRETLKLVERLGAGQFGEVWMGYYNGHTKVAVKSLKQGSMSPDAFLAEANLMKQLQHQRLVRLYAVVTQEPIYIITEYMENGSLVDFLKTPSGIKLTINKLLDMAAQIAEGMAFIEERNYIHRDLRAANILVSDTLSCKIADFGL--------------KFPIKWTAPEAINYGTFTIKSDVWSFGILLTEIVTHGRIPYPGMTNPEVIQNLERGYRMVRPDNCPEELYQ-LMRLCWKERPEDRPTFDYLRSVLEDFFTAT-------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3BYU.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -200027 for 2046 contacts (-97.8/contact) +
2D Compatibility (PS) -26943 + (NN) -10750 + (LL) 14444
1D Compatibility (HY) -34000 + (ID) 9050
Total energy: -266326.0 ( -130.17 by residue)
QMean score : 0.255
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