Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MKLSKKLLFSAAVLTMVAGSTVEPVAQFATGMSIVRAAEVSQERPAKTTVNIYKLQADSYKSEITSNGGIENKDGEVISNYAKLGDNVKGLQGVQFKRYKVKTDISVDELKKLTTVEAADAKVGTILEEGVSLPQKTNAQGLVVDALDSKSNVRYLYVEDLKNSPSNITKAYAVPFVLELPVANSTGTGFLSEINIYPKNVVTDEPKTDKDVKKLGQDDAGYTIGEEFKWFLKSTIPANLGDYEKFEITDKFADGLTYKSVGKIKIGSKTLNRDEHYTIDEPTVDNQNTLKITFKPEKFKEIAELLKGMTLVKNQDALDKATANTDDAAFLEIPVASTINEKAVLGKAIENTFELQYDHTPDKADNPKPSNPPRKPEVHTGGKRFVKKDSTETQTLGGAEFDLLASDGTAVKWTDALIKANTNKNYIAGEAVTGQPIKLKSHTDGTFEIKGLAYAVDANAEGTAVTYKLKETKAPEGYVIPDKEIEFTVSQTSYNTKPTDITVDSADATPDTIKNNKRPSIPNTGGIGTAIFVAIGAAVMAFAVKGMKRRTKDN |
3KPT Chain:A ((6-83)) | ------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------KRGAVDLIKTGVN-EKAMAGAVFSLFKKDGTEV------------------------KKELATDANGHIRVQGLEYG----------EYYFQETKAPKGYVIDPTKREFFVKNSGTINEDGTITSGTVVKMEVKNNEEPTIDKKINGKLEALPINPLTNYNYDIKTLIPEDIKEYK |
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General information:
TITO was launched using:
| RESULT:
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Template: 3KPT.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -6586 for 491 contacts (-13.4/contact) +
2D Compatibility (PS) -8327 + (NN) -1420 + (LL) 24932
1D Compatibility (HY) -6800 + (ID) 1400
Total energy: 399.0 ( 0.81 by residue)
QMean score : 0.491
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