Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
| Query sequence | MAKKIVSDLDLKGKTVLVRADFNVPLKDGEITNDNRIVQALPTIQYIIEQGGK-IVLFSHLGKVKEESDKAKLTLRPVAEDLSKKLDKEVVFVPETRGEKLEAAIKDLKEGDVLLVENTRY--------EDLDGKKESKNDPELGKYWASL---GDVFVNDAFGTAHREHASNVGISTHLETAAGFLMDKEIKFIGGVVNDPHKPVVAILGGAKVSDKINVIKNLVNIADKIIIGGGMAYTFLKA-QGKEIGISLLEEDKIDFAKDLL---EKHGDKIVLPVDTKVAKEFSNDAKI-TVVPSDSIPADQEGMDIGPNTVKLFADELEGAHTVVWNGPMGVFEFSNFAQGTIGVCKAI--ANLKDAITIIGGGDSAAAAISLGFENDFTHISTGGGASLEYLEGKELPGIKAINNK |
| 3C39 Chain:A ((15-419)) | --------LDVKGKRVVMRVDFNVPMKNNQITNNQRIKAAVPSIKFCLDNGAKSVVLMSHLGRPDGVPMPDKYSLEPVAVELKSLLGKDVLFLKDCVGPEVEKACANPAAGSVILLENLRFHVEEEGKGK-------KAEPAKIEAFRASLSKLGDVYVNDAFGTAHRAHSSMVGVNLP-QKAGGFLMKKELNYFAKALESPERPFLAILGGAKVADKIQLINNMLDKVNEMIIGGGMAFTFLKVLNNMEIGTSLFDEEGAKIVKDLMSKAEKNGVKITLPVDFVTADKFDENAKTGQATVASGIPAGWMGLDCGPESSKKYAEAVTRAKQIVWNGPVGVFEWEAFARGTKALMDEVVKATSRGCITIIGG-------------DKVSHVSTGGGASLELLEGKVLPGVDALSN- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3C39.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -177551 for 3131 contacts (-56.7/contact) +
2D Compatibility (PS) -39699 + (NN) -15563 + (LL) 1812
1D Compatibility (HY) -35600 + (ID) 8600
Total energy: -275201.0 ( -87.90 by residue)
QMean score : 0.565
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