Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MTRTVAIDIGGTMIKHGIVDNLGCIVEASELATEAYKGGPGILQKVCQIIDNYLTEGSIDGIAISSAGMVDPDEGCIFYSGPQIPNYAGTQFKKVLEDTYQVRTEIENDVNCAGLAEAVSGSAKDSSIALCLTIGTGIGGCLIIDKTVFHGFSNSACEVGYMHLSD-----GDFQDLASTTALIADVAKAHGDEISRWDGRRIFQEAKEGNEKCIASIDRMINYLGQGIANMVYVVNPEKVVLGGGIMAQKDYLQDKLSESLKRNLVT--SLAEKTAIVFAQHENQAGMLGAYYHFKNRG |
2GUP Chain:A ((4-288)) | -MTIATIDIGGTGIKFASLTPDGKILDKTSISTPE--NLE----DLLAWLDQRLSEQDYSGIAMSVPGAVNQETGVIDGF-SAVPYIHGFSWYEALS-SYQLPVHLENDANCVGLSELLAHP--ELENAACVVIGTGIGGAMIINGRLHRGRHGLGGEFGYMTTLAPAEKLNNWSQLASTGNMVRYVIEKSGH--TDWDGRKIYQEAAAGNILCQEAIERMNRNLAQGLLNIQYLIDPGVISLGGSISQN-PDFIQGVKKAVEDFVDAYEEYTVAPVIQACTYHADANLYGALVNWLQEE |
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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) -181684 for 2337 contacts (-77.7/contact) +
2D Compatibility (PS) -29296 + (NN) -10225 + (LL) 1024
1D Compatibility (HY) -16800 + (ID) 4250
Total energy: -241231.0 ( -103.22 by residue)
QMean score : 0.523
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