Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MGKYFGTDGVRGVANSELTPELAFKVGRFGGYVLTKDK-QRPKVLIGRDTRISGHMLEGALVAGLLSIGAEVMRLGVISTPGVSYLTKAMDAEAGVMISASHNPVQDNGIKFFGGDGFKLSDEQEAEIERLMDEPEDKLPRPVGADLGLVNDYFEGGQKYLQFLKQTADE---DFTGIHVALDCANGATSSLATHLFADLDADVSTMGTSPNGLNINDGVGST--HPEALSAFVKEKN-ADLGLAFDGDGDRLIAVDEKGNIVDGDQIMYICSKHLKSEGRLKDDTVVSTVMSNLGFYKALEKEGIKSVQTAVGDRYVVEAMKKDGYNVGGEQSGHLIFLDYNTTGDGLLSAIMLMNTLKATGKPLSELAAEMQKFPQLLVNVRVTDKYK-VEE--NEKVKA------VISEVEKEM-NGDGRILVRPSGTEPLVRVMAEAKTKELCDEYVNRIVEVVRSEMGLE |
1WQA Chain:A ((1-454)) | MGKLFGTFGVRGIANEKITPEFAMKIGMAFGTLLKREGRKKPLVVVGRDTRVSGEMLKEALISGLLSVGCDVIDVGIAPTPAVQWATKHFNADGGAVITASHNPPEYNGIKLLEPNGMGLKKEREAIVEELFFKED--FDRAKWYEIGEVRRE-DIIKPYIEAIKSKVDVEAIKKRKPFVVVDTSNGAGSLTLPYLLRELGCKVITVNAQPDGYFPARNPEPNEENLKEFMEIVK-ALGADFGVAQDGDADRAVFIDENGRFIQGDKTFALVADAVLKEK--GGGLLVTTVATSNLLDDIAKKHGAKVMRTKVGDLIVARALYENNGTIGGEENGGVIFPEHVLGRDGAMTVAKVVEIFAKSGKKFSELIDELPKYYQIKTKRHVEGDRHAIVNKVAEMARERGYTVDTTDGAK--IIFEDGWVLVRASGTEPIIRIFSEAKSKEKAQEYLNLGIELLEKAL--- |
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General information:
TITO was launched using:
| RESULT:
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Template: 1WQA.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -162614 for 4066 contacts (-40.0/contact) +
2D Compatibility (PS) -47512 + (NN) -24885 + (LL) 776
1D Compatibility (HY) -24400 + (ID) 7450
Total energy: -266085.0 ( -65.44 by residue)
QMean score : 0.528
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