Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | --MQTNLCDSARQRAEAAEAERILRSCVHCGFCNATCPTYQELGDELDGPRGRIYLIKQFLERDEASERTRLHLDRCLSCRNCETT-CPSGVEYHKLLDIGRDLLAERLPRGFRQRLLRDGLRLLAPRPGLFGALAGAAGRLRPLLPEAMQGKLPRRVAAPGRRPQPRHARRVLLLEGCVQPA--LSPNTNAAAARVLDRLGISVTPAAAAGCCGALDFHLDAQERGRQRARRNIDAWWPLLREGAEAIVQTASGCGAFVKDYAYLLRDDPRYADK--AREVAAAARDLVEVLRDEPLESLGL--RCDQRLAFHCPCTLQHAQRLGGAVEAVLRRLGFHLTEVADGH-----LCCGSAGTYSLTQPALSQRLRDNRL--------DALESGAPDVIVTANVGCQAHLDGAGRTPVRHWIELLDQALPGGE |
4CZB Chain:A ((1-415)) | MELMMAIGYLGLALVLGSLVAKIAEK-----LKIPDIPLLLLLGLII-GPFLQIIPSDSAMEIFEYAGPIGLIFILLGGAFTMRISLLKRVIKTVVRLDT-ITFLITLLISGFIFNMVL-NLPYTSPVGYLFGAITAATDP-ATLIPVFSRVRTNPEVAITLEAESIFNDPLGIVSTSVILGLFGLFSSSNPLIDLITLAGGAIVVGLLLAKIYEKIIIHCDFHEYVAPLVLGGAMLLLYVGDDLLPSICGYGFSGYMAVAIMGLYLGDALFRADDIDYKYIVSFCDDLSLLARVFIFVFLGACIKLSMLENYFIPGLLVALGSIF-----LARPLGVFLGLIGSKHSFKEKLYFALEGPRGVVPAALAVTVGIEILKNADKIPASITKYITPTDIAGTIIIGTFMTILLSVILEASWAGMLALKLLGE- |
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General information:
TITO was launched using:
| RESULT:
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Template: 4CZB.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -25935 for 3478 contacts (-7.5/contact) +
2D Compatibility (PS) -41770 + (NN) -8926 + (LL) 544
1D Compatibility (HY) -17600 + (ID) 3200
Total energy: -96887.0 ( -27.86 by residue)
QMean score : 0.219
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