Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MPDTSPDLPAMSPLAVYRQAVEQRGFAPDEAQRRAAEALERCFQALHEAHRHGAIQGVYLWGPVGRGKTWLMDHFYQCLRVPARRQHFHHFMQWVHQRQFELTGT-ADPLRALARELARDVRVLCFDELFVSDIGD-AILLGSLLRI----MFEEGVVLVATSNQPPEQLYADGFNRERFLPAIEAIQRHMAVVAVDGGQDHRLHPGRAEQRYWVVEAGQASGFAELFARLSAGEAASTQPIELGHRPLAVHRHSESVLWCSYAQLCEAPLSALDFIGLCDRYRAILMDDLPCLSASQREGRIARGTEDGAQLVEAGDRELPQLSVHDDGVRRFIALVDECYDRKVPLYLEARVPLEALYTEGYLAFAFRRTLSRLREMQLARFGSDSAG |
2VHJ Chain:A ((121-238)) | ----------------------------------------------------YASGMVIVTGKGNSGKTPLVHALGEALGGKDKYATV-----RFGEPLSGYNTDFNVFVDDIARA-MLQHRVIVIDSLKNVI---ISRGAFDLLSDIGAMAASRGCVVIASLN--PTSN---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 2VHJ.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -63647 for 702 contacts (-90.7/contact) +
2D Compatibility (PS) -11179 + (NN) -6419 + (LL) 20820
1D Compatibility (HY) -1600 + (ID) 1050
Total energy: -63075.0 ( -89.85 by residue)
QMean score : 0.364
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