Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | LSKIPVIVIVGPTAVGKTSLSIELAKKLDGEIISGDSMQVYRGLDIGTAKITPEEMDEIKHYLIDVTDPSEPFTAAKFQTETRKWIETIHQAGKLPIIVGGTGLYIQSVFYDYDFGNVSEDKAYRAELEQLNKT---LLWQMLEQQDPESAAQIHENNKRRVIRALEVMHLTGKPFSEYQVHNVLNDTYKPLFLGLDLDRALLYERINQRVNLMFEEGLVTEAKKLYDQHLVD--VPAVCG------IGYKELFPYFEGKSS--LEEAKELIQKNSRHFAKRQLTWFRNRMEIDWIQAGVSTTEAEALNKAETFLSVK |
3EPK Chain:A ((4-316)) | -----VIVIAGTTGVGKSQLSIQLAQKFNGEVINSDSMQVYKDIPIITNKHPLQEREGIPHHVMNHVDWSEEYYSHRFETECMNAIEDIHRRGKIPIVVGGTHYYLQTLFNKRVDTKSSERKLTRKQLDILESTDPDVIYNTLVKCDPDIATKYHPNDYRRVQRMLEIYYKTGKKPSETFNEQKITLKFDTLFLWLYSKPEPLFQRLDDRVDDMLERGALQEIKQLYEYYSQNKFTPEQCENGVWQVIGFKEFLPWLT----VKLEDCIERMKTRTRQYAKRQVKWIK-KMLIPDIKGDIYLLDATDLSQWDTNAS-- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3EPK.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -115644 for 2213 contacts (-52.3/contact) +
2D Compatibility (PS) -32050 + (NN) -17485 + (LL) 288
1D Compatibility (HY) -18400 + (ID) 5650
Total energy: -188941.0 ( -85.38 by residue)
QMean score : 0.441
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