Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
| Query sequence | MTRTVAIDIGGTMIKHGIVDNLGCIVEASELATEAYKGGPGILQKVCQIIDNYLTEGSIDGIAISSAGMVDPDEGCI--FYSGPQIPNYAGTQFKKVLEDTYQVRTEIENDVNCAGLAEAVSGSAKDSSIALCLTIGTGIGGCLIIDKTVFHGFSNSACEVGYMHL-----SDGDFQDLASTTALIADVAKAHGDEISRWDGRRIFQEAKEGNEKCIASIDRMINYLGQGIANMVYVVNPEKVVLGGGIMAQKDYLQDKLSESLKRNLVTSLAEKTAIVFAQHENQAGMLGAYYHFKNRG |
| 2GUP Chain:A ((9-245)) | ------IDIGGTGIKFASLTPDGKILDKTSIST------PENLEDLLAWLDQRLSEQDYSGIAMSVPGAVNQETGVIDGFSAVPYI---HGFSWYEAL-SSYQLPVHLENDANCVGLSELLAHPELEN--AACVVIGTGIGGAMIINGRLHRGRHGLGGEFGYMTTLAPAEKLNNWSQLASTGNMVRYVIEKSGH--TDWDGRKIYQEAAAGNILCQEAIERMNRNLAQGLLNIQYLIDPGVISLGGSISQNPDFIQGVKKAVEDFVDAYEEYTVAPVIQACTYHADANLYGALVNWLQE |
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General information:
TITO was launched using:
| RESULT:
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Template: 2GUP.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -143897 for 1691 contacts (-85.1/contact) +
2D Compatibility (PS) -24643 + (NN) -10540 + (LL) 1268
1D Compatibility (HY) -16000 + (ID) 4350
Total energy: -198162.0 ( -117.19 by residue)
QMean score : 0.554
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