Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MQGLLTSGRKPSGGGRCTGRGGWRGQWCLKPWMGGADPPTPTLSCLLLPVPPELPDHCYRMNSSPAGTPSPQPSRANGNINLGPSANPNAQPTDFDFLKVIGKGNYGKVLLAKRKSDGAFYAVKVLQKKSILKKKEQSHIMAERSVLLKNVRHPFLVGLRYSFQTPEKLYFVLDYVNGGELFFHLQRERRFLEPRARFYAAEVASAIGYLHSLNIIYRDLKPENILLDCQGHVVLTDFGLCKEGVEPEDTTSTFCGTPEYLAPEVLRKEPYDRAVDWWCLGAVLYEMLHGLPPFYSQ---DVSQMYENILHQPLQIPGGRTVAACDLLQSLLHKDQRQRLGSK--ADFLEIKNHVFFSPINWDDLYHKRLTPPFNPNVTGPADLKHFDPEFTQEAVSKSIGCTPDTV-ASSSGASSAFLGFSYAPEDDDILDC |
4DC2 Chain:A ((49-387)) | -----------------------------------------------------------------------------------------LGLQDFDLLRVIGRGSYAKVLLVRLKKTDRIYAMRVVKKELVN----IDWVQTEKHVFEQASNHPFLVGLHSCFQTESRLFFVIEYVNGGDLMFHMQRQRKLPEEHARFYSAEISLALNYLHERGIIYRDLKLDNVLLDSEGHIKLTDYGMCKEGLRPGDTTSTFCGTPNYIAPEILRGEDYGFSVDWWALGVLMFEMMAGRSPFDIVGSNTEDYLFQVILEKQIRIPRSLSVKAASVLKSFLNKDPKERLGCHPQTGFADIQGHPFFRNVDWDMMEQKQVVPPFKPNISGEFGLDNFDSQFTNEPVQLT----PDDDDIVRKIDQSEFEGFEYINP------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 4DC2.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -172638 for 2643 contacts (-65.3/contact) +
2D Compatibility (PS) -34914 + (NN) -30346 + (LL) 664
1D Compatibility (HY) -32400 + (ID) 7400
Total energy: -277034.0 ( -104.82 by residue)
QMean score : 0.352
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