Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MARAACLLRAISRVLLLPLPLLLLLLLLLPSPLMARARPPESHRHHPVKKGPRLLHAALPNTLTSVPASHWVPSPAGSSRPLRCGVPDLPDVLNARNRQKRFVLSGGRWEKTDLTYRILRFPWQLVREQVRQTVAEALQVWSEVTPLTFTEVHEGRADIMIDFARYWHGDNLPFDGPGGILAHAFFPKTHREGDVHFDYDETWTIGDNQGTDLLQVAAHEFGHVLGLQHTTAAKALMSPFYTFRYPLSLSPDDRRGIQHLYGRPQMAPTSPAPTLSSQAGTDTNEIALLEPETPPDVCETSFDAVSTIRGELFFFKAGFVWRLRSGRLQPGYPALASRHWQGLPSPVDAAFEDAQGQIWFFQGAQYWVYDGEKPVLGPAPLSKLGLQGSPVHAALVWGPEKNKIYFFRGGDYWRFHPRTQRVDNPVPRRSTDWRGVPSEIDAAFQDAEGYAYFLRGHLYWKFDPVKVKVLEGFPRPVGPDFFDCAEPANTFR |
4H1Q Chain:A ((3-160)) | --------------------------------------------------------------------------------------------------------GDLKWHHHNITYWIQNYSEDLPRAVIDDAFARAFALWSAVTPLTFTRVYSRDADIVIQFGVAEHGDGYPFDGKDGLLAHAFPPGPGIQGDAHFDDDELWSLGKGQGYSLFLVAAHQFGHALGLDHSSVPEALMYPMYRFTEGPPLHKDDVNGIRHLYG-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 4H1Q.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -83863 for 1198 contacts (-70.0/contact) +
2D Compatibility (PS) -17134 + (NN) -9912 + (LL) 18016
1D Compatibility (HY) -12400 + (ID) 3750
Total energy: -109043.0 ( -91.02 by residue)
QMean score : 0.193
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