Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
| Query sequence | MDGKPATRKGPDFCSLRYGLALIMHFSNFTMITQRVSLSIAIIAMVNTTQQQGLSNASTEGPVADAFNNSSISIKEFDTKASVYQWSPETQGIIFSSINYGIILTLIPSGYLAGIFGAKKMLGAGLLISSLLTLFTPLAA--DFGVILVIMVRTVQGMAQGMAWTGQFTIWAKWAPPLERSKLTTIAGSGSAFGSFIILCVGGLISQ-ALSWPFIFYIFGSTGCVCCLLWFTVIYDDPMHHPCISVRE--KEHILSSLAQQPSSPGRAV-PIKAMVTCLPLWAIFLGFFSHFWLCTIILTYLPTYISTLLHVNIRDSGVLSSLPFIAAASCTILGGQLADFLLSRNLLRLITVRKLFSSLGLLLPSICAVALPFVA-SSYVITIILLILIPGTSNLCDSGFIINTLDIA-PRYASFLMGISRGFGLIAGI-ISSTATGFLISQVGPVY |
| 1PW4 Chain:A ((13-413)) | --RLPAAEIDPTYRRLRWQIFLGIFFGYAAYYLVRKNFALAMPYL-----------------------------------V-EQGFSRGDLGFALSGISIAYGFSKFIMGSVSDRSNPRVFLPAGLILAAAVMLFMGFVPWATSSIAVMFVLLFLCGWFQGMGWPPCGRTMVHWWSQKERGGIVSVWNCAHNVGGGIPPLLFLLGMAWFNDWHAALYMPAFCAILVALFAFAMMRDTPQSCGLPPIEEYKND-------------TAKQIFMQYVLPNKLLWYIAIANVFVYLLRYGILDWSPTYLKEVKHFALDKSSWAYFLYEYAGIPGTLLCGWMSDKVFRGNRGA-------TGVFFMTLVTIATIVYWMNPAGNPTVDMICMIVIGFLIYGPVMLIGLHALELAPKKAAGTAAGFTGLFGYLGGSVAASAIVGYTVDFFGWDG |
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General information:
TITO was launched using:
| RESULT:
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Template: 1PW4.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -353977 for 3196 contacts (-110.8/contact) +
2D Compatibility (PS) -37485 + (NN) 4445 + (LL) 3132
1D Compatibility (HY) -21600 + (ID) 3550
Total energy: -409035.0 ( -127.98 by residue)
QMean score : 0.201
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