Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | --MRIGMICPYSFDVPGGVQSHVLQLAEVMRTRGHLVSVLAPASPHAALPDYFVSGGRAV------PIPYNGSVARLRFGPATHRKVKKWLAH--GDFDVLHLHEPNAPSLSMLALNIAEGPIVATFHTSTTKSLTLTVFQGILRPMHEKIVGR-----IAVSDLARRWQMEALG---SDAVEIPNGVDVDSF----ASAARLDGYPRQGKTVLFLGRYDEPRKGMAVLLDALPKVVQRFPDVQLLIVGHG---DADQLRGQAGRLAAHLRFLGQVDDAGKASAMRSADVYCAPNTGGESFGIVLVEAMAAGTAVVASDLDAFRRVLRDGEVGHLVPVDPPDLQAAALADGLIAVLENDVLRERYVAAGNAAVRRYDWSVVASQIMRVYETVAGSGAKVQVAS-- |
3C48 Chain:A ((19-438)) | SHMRVAMISMHTSPLQQGMNVYILSTATELAKQGIEVDIYTRATRPSQGEIVRVAENLRVINIAAGPYEGLSKEELPTQLAAFTGGMLSFTRREKVTYDLIHSHYWLSGQVGWLLRDLWRIPLIHTAHTLAAVKNSYDTPESEARRICEQQLVDNADVLAVNTQEEMQDLMHHYDADPDRISVVSPGADVELYSPGTERSRRELGIPLHTKVVAFVGRL-QPFKGPQVLIKAVAALFDRDPDRNLRVIICGGPSDTYRHMAEELGVEKRIRFLDPRPPSELVAVYRAADIVAVP-SFNESFGLVAMEAQASGTPVIAARVGGLPIAVAEGETGLLVDGH----SPHAWADALATLLDDDETRIRMGEDAVEHARTFSWAATAAQLSSLYNDAIANENVDGETHHG |
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General information:
TITO was launched using:
| RESULT:
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Template: 3C48.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -224747 for 3082 contacts (-72.9/contact) +
2D Compatibility (PS) -41279 + (NN) -26502 + (LL) -336
1D Compatibility (HY) -9600 + (ID) 4250
Total energy: -306714.0 ( -99.52 by residue)
QMean score : 0.530
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