Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
| Query sequence | -------------------------------------------------------------------MRKIIHIDCDCFYAALEMRDDPSLRGKALAVGGSPDKRGVVATCSYEARAYGVRSAMAMRTALKLCPDLLVVRPRFDVYRAVSKQIHAIFRDYTDLIEPLSLDEAYLDVSASPHF-------------------AGSATRIAQDIRRRVAEELHITVSAGVAPNKFLAKIASDWRKPDGLFVITP--EQVDGFVAELPVAKLHGVGKVTAERLARMGIRTCADLRQGSKLSLVREFGSFGERLWGLAHGIDERPVEVDSRRQSVSVECTFDRDLPDLAACLEELPTLLEELDGRLQRLDGSYRPDKPFVKLKFHDFTQTTVEQSGAG--RDLESYRQLLGQAFARGNRPVRLIGVGVRLLDLQGAHEQLRLF |
| 2OH2 Chain:A ((15-499)) | KEKINKIIMEATKGSRFYGNELKKEKQVNQRIENMMQQKAQITSQQLRKAQLQVDRFAMELEQSRNLSNTIVHIDMDAFYAAVEMRDNPELKDKPIAVGS----MSMLSTSNYHARRFGVRAAMPGFIAKRLCPQLIIVPPNFDKYRAVSKEVKEILADYDPNFMAMSLDEAYLNITKHLEERQNWPEDKRRYFIKNSVVFGTSAQEVVKEIRFRIEQKTTLTASAGIAPNTMLAKVCSDKNKPNGQYQILPNRQAVMDFIKDLPIRKVSGIGKVTEKMLKALGIITCTELYQQRALLSLLFSETSWHYFLHISLGLGSTHLTRDGERKSMSVERTFSEI-NKAEEQYSLCQELCSELAQDLQKERLKGR--TVTIKLKNVNFEVKTRASTVSSVVSTAEEIFAIAKELLKTEIDADFPHPLRLRLMGVRISSFP---- |
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General information:
TITO was launched using:
| RESULT:
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Template: 2OH2.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -191017 for 2632 contacts (-72.6/contact) +
2D Compatibility (PS) -37077 + (NN) -14515 + (LL) 364
1D Compatibility (HY) -22400 + (ID) 5800
Total energy: -270445.0 ( -102.75 by residue)
QMean score : 0.451
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