Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MTRRTGQRWRGTLPGRRPWTRPAPATCRRHLAFVELRHYFARVMSSAIGSVARWIVPLLGVAAVASIGVIADPVRVVRAPALILVDAANPLAGKPFYVDPASAAMVAARNANPPNAELTSVANTPQSYWLDQAFPPATVGGTVARYTGAAQAAGAMPVLTLYGIPHRDCGSYASGGFATGTDYRGWIDAVASGLGSSPATIIVEPDALAMADCLSPDQRQERFDLVRYAVDTLTRDPAAAVYVDAGHSRWLSAEAMAARLNDVGVGRARGFSLNVSNFYTTDEEIGYGEAISGLTNGSHYVIDTSRNGAGPAPDAPLNWCNPSGRALGAPPTTATAGAHADAYLWIKRPGESDGTCGRGEPQAGRFVSQYAIDLAHNAGQ |
1UP3 Chain:A ((2-294)) | ---------------------------------------------------------------------------------------ANPLAGKPFYVDPASAAMVAARNANPPNAELTSVANTPQSYWLDQAFPPATVGGTVARYTGAAQAAGAMPVLTLYGIPHRDCGSYASGGFATGTDYRGWIDAVASGLGSSPATIIVEPDALAMADCLSPDQRQERFDLVRYAVDTLTRDPAAAVYVDAGHSRWLSAEAMAARLNDVGVGRARGFSLNVSNFYTTDEEIGYGEAISGLTNGSHYVIDTSRNGAGPAPDAPLNWCNPSGRALGAPPTTATAGAHADAYLWIKRPGESDGTCGRGEPQAGRFVSQYAIDLAHNAGQ |
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General information:
TITO was launched using:
| RESULT:
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Template: 1UP3.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -127954 for 2647 contacts (-48.3/contact) +
2D Compatibility (PS) -31623 + (NN) -20179 + (LL) 7228
1D Compatibility (HY) -30800 + (ID) 14650
Total energy: -217978.0 ( -82.35 by residue)
QMean score : 0.632
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