Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MSEKNAYAKSGVDVEAGYEVVERIKKHVARTERAGVMGALGGFGGMFDLSQTGVKEPVLISGTDGVGTKLMLAIKYDKHDTIGQDCVAMCVNDIIAAGAEPLYFLDYVATGK-NEPAKLEQVVAGVAEGCVQAGAALIGGETAEMPGMYGEDDYDLAGFAVGVAEKSQIIDGSKVKEGDILLGLASSGIHSNGYSLVRRVFADYTGDEVLPELEGKQLKDVLLEPTRIYVKAALPLIKEELVNGIAHITGGGFIENVPRMFAD-DLAAEIDEDKVPVLPIFKALEKYGDIKHEEMFEIFNMGVGLMLAVSPENVNRVKELL-----DEPVYEIGRIIKKADASVVIK |
3WJP Chain:A ((39-313)) | --------------------------------------DALDDGATIPFG-----DKHIVFTIDGHTVKPLF----FPGGDIGRLAVSGTVNDLAVMGAEPIALANSMIIGEGLDMEVLKRVLKSMDETAREVPVPIVTGDTKVVEDKI---EMFVITAGIGIAE--HPVSDAGAKVGDAVLVSGTIGDHGIALMSHREGI-----AF-------ETELKSDVAPIWDVVKAVAETIGWENIHAMKDPTRAGLSNALNEIARKSNVGILVREADIPIRPEVRAASEMLGISPYDV---A-NEGKVVMVVAREYAEEALEAMRKTEKGRNAAIIGEVIADYRGKVLLE |
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General information:
TITO was launched using:
| RESULT:
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Template: 3WJP.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -129991 for 2352 contacts (-55.3/contact) +
2D Compatibility (PS) -27763 + (NN) -3053 + (LL) 4440
1D Compatibility (HY) -3600 + (ID) 2450
Total energy: -162417.0 ( -69.05 by residue)
QMean score : 0.417
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