Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MQGLLTSGRKPSGGGRCTGRGGWRGQWCLKPWMGGADPPTPTLSCLLLPVPPELPDHCYRMNSSPAGTPSPQPSRANGNINLGPSANPNAQPTDFDFLKVIGKGNYGKVLLAKRKSDGAFYAVKVLQKKSILKKKEQSHIMAERSVLLKNVRHPFLVGLRYSFQTPEKLYFVLDYVNGGELFFHLQR-ERRFLEPRARFYAAEVASAIGYLHSLNIIYRDLKPENILLDCQGHVVLTDFGLCKEGVEPEDTTSTF-CGTPEYLAPEVLRKE-----PYDRAVDWWCLGAVLYEMLHGLPPFYSQDVSQMYENILHQP--LQIPGG---RTVAACDLLQSLLHKDQRQRLGSKADFLEIKNHVFFSPINWDDLYHKRLTPPFNPNVTGPADLKHFDPEFTQEAVSKSIGCTPDTVASSSGASSAFLGFSYAPEDDDILDC |
3QFV Chain:A ((70-407)) | ----------------------------------------------------------------------------------------QLHREDFEIIKVIGRGAFGEVAVVKMKNTERIYAMKILNKWEMLKRAETACFREERDVLV-NGDCQWITALHYAFQDENHLYLVMDYYVGGDLLTLLSKFEDKLPEDMARFYIGEMVLAIDSIHQLHYVHRDIKPDNVLLDVNGHIRLADFGSCLKMNDDGTVQSSVAVGTPDYISPEILQAMEDGMGKYGPECDWWSLGVCMYEMLYGETPFYAESLVETYGKIMNHEERFQFPSHVTDVSEEAKDLIQRLICS-RERRLGQNG-IEDFKKHAFFEGLNWENI--RNLEAPYIPDVSSPSDTSNFDV---------------------SGLHLPFIGFTFTTESCFSDRG |
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General information:
TITO was launched using:
| RESULT:
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Template: 3QFV.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -181822 for 2478 contacts (-73.4/contact) +
2D Compatibility (PS) -33401 + (NN) -24921 + (LL) 1336
1D Compatibility (HY) -30800 + (ID) 5850
Total energy: -275458.0 ( -111.16 by residue)
QMean score : 0.487
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