Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MGLLSSKRQVSEKGKGWSPVKIRTQDKAPPPLPPLVVFNHLAPPSPNQDPDEEERFVVALFDYAAVNDRDLQVLKGEKLQVLRSTGDWWLARSLVTGREGYVPSNFVAPVETLEVEKWFFRTISRKDAERQLLAPMNKAGSFLIRESESNKGAFSLSVKDITTQGEVVKHYKIRSLDNGGYYISPRITFPTLQALVQHYSKKGDGLCQKLTLPCVNLAPKNLWAQDEWEIPRQSLKLVRKLGSGQFGEVWMGYYKNNMKVAIKTLKEGTMSPEAFLGEANVMKTLQHERLVRLYAVVTRE-PIYIVTEYMARGCLLDFLKTDEGSRLSLPRLIDMSAQVAEGMAYIERMNSIHRDLRAANILVSETLCCKIADFGLARIIDSEYTAQEGAKFPIKWTAPEAIHFGVFTIKADVWSFGVLLMEIVTYGRVPYPGMSNPEVIRSLEHGYRMPCPETCPPELYNDIITECWRGRPEERPTFEFLQSVLEDFYTATEGQYELQP |
3A4O Chain:X ((6-273)) | ---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------DAWEIPRESIKLVKRLGAGQFGEVWMGYYNNSTKVAVKTLKPGTMSVQAFLEEANLMKTLQHDKLVRLYAVVTREEPIYIITEYMAKGSLLDFLKSDEGGKVLLPKLIDFSAQIAEGMAYIERKNYIHRDLRAANVLVSESLMCKIADFGLARV--------EGAKFPIKWTAPEAINFGCFTIKSDVWSFGILLYEIVTYGKIPYPGRTNADVMTALSQGYRMPRVENCPDELY-DIMKMCWKEKAEERPTFDYLQSVLDDFYTATE------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3A4O.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -188631 for 2099 contacts (-89.9/contact) +
2D Compatibility (PS) -27470 + (NN) -7250 + (LL) 14328
1D Compatibility (HY) -36800 + (ID) 9700
Total energy: -255523.0 ( -121.74 by residue)
QMean score : 0.221
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