Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MRSNIRQLFYYIKPNLHYFIIAFIAVLSSALTILLFGRGLSNIIDSGAEHNFTTKLLVTIFIVLAISLTAFIRLYFIGIGSEKVIARIRYDLYGNITDLQPSFFENTSVQDVISALITDTSVLQSIMNSSLLTILRNFIILIGSVAMLLYTNLHLTTYAAAIIPMLLIIMTSLGKKVRNYARFAQNKLSELASFSEENFRSIVTIKSFVLEENEKIRFKEHLDSVSKSYVKLVFLRAILVTLVIACVIGSLVILLFFGIKEVLSNNITVGELSSFVFYSALAAGTVNNLSDNISDLQRGFGIVERLFEFKNMKSSIMDVDNPIKICGVKKGISFNGVTFFYESQPDKPALDNVSFSIETGQAVSIIGPSGSGKSTILKLLLRFHDPGKGSITIDGYNVKSIALSNLRSLFGLVPQDHIIFSCSIMENILYGKPGAEYEEVRQAAISAYAMEFIEKLPDKFDTFVGKRGLKLSEGQKQRIIIARAILKNPQILILDEATSALDYKSENLVQKALSKLMQNRTTIMITHRLSTALKTDKVIVVNHGKVEEVGTHDSLMSK-GGLYAKLTKI |
2FF7 Chain:A ((5-243)) | ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------HHDITFRNIRFRYKP-DSPVILDNINLSIKQGEVIGIVGRSGSGKSTLTKLIQRFYIPENGQVLIDGHDLALADPNWLRRQVGVVLQDNVLLNRSIIDNISLANPGMSVEKVIYAAKLAGAHDFISELREGYNTIVGEQGAGLSGGQRQRIAIARALVNNPKILIFDEATSALDYESEHVIMRNMHKICKGRTVIIIAHRLSTVKNADRIIVMEKGKIVEQGKHKELLSEPESLYSYLYQL |
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General information:
TITO was launched using:
| RESULT:
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Template: 2FF7.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -172153 for 1913 contacts (-90.0/contact) +
2D Compatibility (PS) -26336 + (NN) -14806 + (LL) 29084
1D Compatibility (HY) -20800 + (ID) 5150
Total energy: -210161.0 ( -109.86 by residue)
QMean score : 0.574
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