Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MDYEKALAFIKSNSTLEQEEGTEVIFKQAQETARGNLDPFLLKDLKQHLGGTNDAIKEAPQEIQMPDFSNLEIATAAALQMRATMGSPNIDLSNGVTTEYRVVEGDYGDIPVRIYRHEEATKPVPAFIFYHGGGFVGGTPAVVENFCKGIAEKLPAVVINVDYHLAPEFPAPAAPKDCYRVLEWVVEQSNELGIDASKIGVSGDSAGGTLAAAVSYMDYEAETNYVGFQALLYPALTLVDEDNDKYQWDISKFGASEDTLPLVAPGIIGMNSSGELLRKAYVRDENPAAPI-YSPLSAVDKSIYPPTLIASAEFDALRAFADVFAKELRASGVQTKAIVYQGMCHAFIDKYGIFPQAEDVADEIVQMMKEIF |
3AIN Chain:A ((70-320)) | ------------------------------------------------------------------------------------------------------IPGSETNIKARVY-YPKTQGPYGVLVYYHGGGFVLGDIESYDPLCRAITNSCQCVTISVDYRLAPENKFPAAVVDSFDALKWVYNNSEKFN-GKYGIAVGGDSAGGNLAAVTAILS-KKENIKLKYQVLIYPAVS---------------FDLITKSLYDNGEGFFLTREHIDWFGQQYLRSFADLLDFRFSPILA-DLNDLPPALIITAEHDPLRDQGEAYANKLLQSGVQVTSVGFNNVIHGFVSFFPFIEQGRDAIGLIGYVLRKVF |
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General information:
TITO was launched using:
| RESULT:
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Template: 3AIN.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -169979 for 2281 contacts (-74.5/contact) +
2D Compatibility (PS) -27015 + (NN) -13773 + (LL) 8392
1D Compatibility (HY) -20400 + (ID) 3950
Total energy: -226725.0 ( -99.40 by residue)
QMean score : 0.466
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