Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MAKLTVKDVDLKGKKVLVRVDFNVPLKDGVITNDNRITAALPTIKYIIEQGGRAI-LFSHLGRVKEEADKEGKSLAPVAADLAAKLGQDVVFPGVTRGAKLEEAINALEDGQVLLVENTRFE--------DVDGKKESKNDEELGKYWASL---GDGIFVNDAFGTAHRAHASNVGISANVEKAVAGFLLENEIAYIQEAVETPERPFVAILGGSKVSDKIGVIENLLEKADKVLIGGGMTYTFYKA-QGIEIGNSLVEEDKLDVAKDLLEK--SNG-KLILPVDSKEANAFAGYTEV-RDTEGEAVSEGFLGLDIGPKSIAKFDEALTGAKTVVWNGPMGVFENPDFQAGTIGVMDAIVK--QLGVKSIIGGGDSAAAAINLGRADKFSWISTGGGASMELLEGKVLPGLAALTEK |
1HDI Chain:A ((2-411)) | --KLTLDKLNVKGKRVVMRVDFNVPMAAAQITNNARIKAAVPSIKFCLDDGAKSVVLMSHLGRPDGSPMPDKYSLQPVAAELKSALGKAVLFLKDCVGPAVEKACADPAAGSVILLENLRFHVEEEGKGKDASGNKAAGEPAKIKAFRASLSALGD-VYVNDAFGTAHRAHSSMVGV--NLPKKAGAFLMKKELNYFAAAAESPERPFLAILGGAKVADKIQLINNMLDKVNEMIIGGGMAFTFLKVLNNMEIGTSLFDEAGKKIVKNLMSKAAANGVKITLPVDFVTADKFDEQAKIGQATVASGIPAGWMGLDCGPKSSAKYSEAVARAKQIVWNGPVGVFEWEAFAQGTKALMDEVVKATSRGCITIIGGGDTATCCAKWNTEDNVSHVSTGGGASLELLEGKVLPGVDALSNV |
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General information:
TITO was launched using:
| RESULT:
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Template: 1HDI.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -172145 for 3445 contacts (-50.0/contact) +
2D Compatibility (PS) -42138 + (NN) -9528 + (LL) 296
1D Compatibility (HY) -38400 + (ID) 9400
Total energy: -271315.0 ( -78.76 by residue)
QMean score : 0.605
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