Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MEPQNTTQVSMFVLLGFSQTQELQKFLFLLFLLVYVTTIVGNLLIMVTVTFDCRLHTPMYFLLRNLALIDLCYSTVTSPKMLVDFLHETKTISYQGCMAQIFFFHLLGGGTVFFLSVMAYDRYIAISQPLRYVTIMNTQLCVGLVVAAWVGGFVHSIVQLALILPLPFCGPNILDNFYCDVPQVLRLACTDTSLLEFLMISNSGL------------LVIIWFLLLLISYTVILVMLRSHSGKARRKAASTCTTHIIVVSMIFIPC--------IYIYTW---PFTPFLMDKAVSISYTVMTPMLNPMIYTLRNQDMKAAMRRLGKCLVICRE |
3C9L Chain:A ((44-317)) | -----------------------------MFLLIMLGFPINFLTLYVTVQHK-KLRTPLNYILLNLAVADLFMVFGGFTTTLYTSLHGYFVFGPTGCNLEGFFATLGGEIALWSLVVLAIERYVVVCKPMSNFRFGENHAIMG-VAFTWV---------MALA-----CAAPPLVGWSRYIPEGMQCSCGIDYYTPHEETNNESFVIYMFVVHFIIPLIVIFFCYGQLVFTVKEAAAQQQESATTQKAEKEVTRMVIIMVIAFLICWLPYAGVAFYIFTHQGSDFGPIFM--TIPAFFAKTSAVYNPVIYIMMNKQFRNCMVTTLCCGKNDDE |
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General information:
TITO was launched using:
| RESULT:
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Template: 3C9L.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -242499 for 1959 contacts (-123.8/contact) +
2D Compatibility (PS) -24658 + (NN) 1121 + (LL) 3724
1D Compatibility (HY) -22800 + (ID) 3250
Total energy: -288362.0 ( -147.20 by residue)
QMean score : 0.209
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