Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | ----------------------------------MSDLFLELNGKVHSLSETFPG---LSVQEVSRQSPQLSMETAEIAGT-------DGVIPGMTQFKPFIFSAKCNLQAL-------------------DIPDYHLAVREIYEFLFQRDSYYIWSDQMPGIRYEVHPKPVDFSRESDRVGLLTIEFDVFKGYAESRGTSLDPMTFEVDLWQMGMNLSNRDDLFYIFKENTFRVYNAGSDRVNPLMR-HELDIAMTANGTPTIHNLTTGESFEYQKELRKTDVLLLN---NIYPLVNNRRVGKDTNHGIITLEKGWNDFEIKGVTDVTIAFNFPFIYR-------------------------------------------------- |
3TNF Chain:B ((3-381)) | LDEYEQAIKRAQENIKKGEELEKKLDKLERQGKDLEDKYKTYEENLEGFEKLLTDSEELSLSEINEKMEAFSKDSEKLTQLMEKHKGDEKTVQSLQREHHDIKAKLANLQVLHDAHTGKKSYVNEKGNPVSSLKDAHLAINKDQEVVEHEGQFYLLQ---KGQWDAIKNNPAALEKAQKDYSQSKHDLATIKMEALIHKLSLEMEKQLETINNLIMSTDPKENEEATKLLHKHNGLNLKLANLQDMLAVHRKEKSFFNEKGEEVTSLNDAH------YVIGKDQQLFNLGGKFYPIHKEQKILEK-DGKFYLLKQGEDWESIKDSPEKQKKAEHDFHKLQYETPMTVKKLVHHNKGLETTIHKERVEETKQQLEDNGKEKIEIANNISK |
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General information:
TITO was launched using:
| RESULT:
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Template: 3TNF.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -39419 for 1637 contacts (-24.1/contact) +
2D Compatibility (PS) -27147 + (NN) -2238 + (LL) 788
1D Compatibility (HY) -2800 + (ID) 1800
Total energy: -72616.0 ( -44.36 by residue)
QMean score : 0.013
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