Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | LSKIPVIVIVGPTAVGKTSLSIELAKKLDGEIISGDSMQVYRGLDIGTAKITPEEMDEIKHYLIDVTDPSEPFTAAKFQTETRKWIETIHQAGKLPIIVGGTGLYIQSVFYDYDFGNVSEDKAYRAELEQLNKTLLWQMLEQQDPESAAQIHENNKRRVIRALEVMHLTGKPFSEYQVHNVLNDTYKPLFLGLDLDRALLYERINQRVNLMFEEGLVTEAKKLY---DQHLVDVPAVCGIGYKELFPYFEGKSSLEEAKELIQKNSRHFAKRQLTWFRNRMEIDWIQAGVSTTEAEALNKAETFLSVK |
3CRQ Chain:A ((6-318)) | ----PAIFLMGPTAAGKTDLAMALADALPCELISVDSALIYRGMDIGTAKPSRELLARYPHRLIDIRDPAESYSAAEFRADALAAMAKATARGRIPLLVGGTMLYYKALLEG---------------------------------------------------------------------LPYTVAQLAIAPE-QRQVLHARIAQRFRQMLEQGFIAEVEALHARSDLH-AGLPSIRAVGYRQVWDYLDGKLSYAEMTERGIIATRQLAKRQFTWLRSWSHLHWMDSLAGDNLPRALRYLKT----- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3CRQ.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -99854 for 1831 contacts (-54.5/contact) +
2D Compatibility (PS) -25077 + (NN) -13250 + (LL) 6844
1D Compatibility (HY) -16800 + (ID) 4150
Total energy: -152287.0 ( -83.17 by residue)
QMean score : 0.463
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