Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MSKLTKIQETLGKEKIEAVLVTSEFNRRYVSGFTGTSG-VALILPEKA-YFVTDFRYTEQAAKQAEGYEIVQHTGPIFDTVEDLLIKNDTKTLHFEAD--YVTVSEFKQMERVFNRQLIPLTGFFEEMRKVKTASELKAIRTACDIADAAFAHIIQFIKPGMAEIEVSNELEFFMRRAGATSSSFDTIVASGIRSALPHGVASDKKIEVGDFVTMDYGCYYDGYCSDMTRTIAVGEPAEKLKEIYQITLDAQLKVIDSLKPGMTGIEADAIARDYISSFGYGDAFGHSLGHGIGLEIHEGPNLSFKSPQKLEVGHVVTDEPGIYLPGIGGVRIEDDLLITETGNEILIHSPKELIIL |
1WY2 Chain:A ((7-351)) | --KVKKIIEFMDKNSIDAVLIAKNPNVYYISGASPLAGGYILITGESATLYVPELEYEMAKEESNIPVEKFKKMDEFYKALEGI------KSLGIESSLPYGFIEELKKKANI--KEFKKVDDVIRDMRIIKSEKEIKIIEKACEIADKAVMAAIEEITEGKKEREVAAKVEYLMKMNGAEKPAFDTIIASGYRSALPHGVASDKRIERGDLVVIDLGALYQHYNSDITRTIVVGSPNEKQKEIYEIVLEAQKKAVESAKPGITAKELDSIARNIIAEYGYGEYFNHSLGHGVGLEVHEWPRVSQYDETVLREGMVITIEPGIYIPKIGGVRIEDTILITKNGSKRLTKTERELI-- |
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General information:
TITO was launched using:
| RESULT:
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Template: 1WY2.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -160967 for 2916 contacts (-55.2/contact) +
2D Compatibility (PS) -36414 + (NN) -9667 + (LL) 952
1D Compatibility (HY) -29200 + (ID) 7600
Total energy: -242896.0 ( -83.30 by residue)
QMean score : 0.501
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