Id |
Subject |
Object |
Predicate |
Lexical cue |
T162 |
0-4 |
Sentence |
denotes |
DCCM |
T163 |
5-251 |
Sentence |
denotes |
The correlated motions of RBD atoms were also analyzed with the DCCM based on the Cα atoms of RBD from the last 400 ns of simulation for nCOV-2019, SARS-COV, and extended mutant systems and the last 200 ns for the other mutant systems (Figure 6). |
T164 |
252-451 |
Sentence |
denotes |
The DCCM for nCOV-2019 showed a correlation between residues 490–505 (containing α5, L4 and β5 regions) and residues 440–455 (containing α4, L1 and β5 regions) shown in the red rectangle in Figure 6. |
T165 |
452-539 |
Sentence |
denotes |
This correlation showed the coordination of these regions for binding ACE2 effectively. |
T166 |
540-658 |
Sentence |
denotes |
Another important correlation that appears in the DCCM of nCOV-2019 is between residues 473–481 with residues 482–491. |
T167 |
659-760 |
Sentence |
denotes |
These residues are in L3 and β6 regions and their correlation in nCOV-2019 is stronger than SARS-COV. |
T168 |
761-872 |
Sentence |
denotes |
This is due to the presence of the β6 strand in nCOV-2019, whereas in SARS-COV these residues all belong to L3. |
T169 |
873-1062 |
Sentence |
denotes |
This indicates that L3 in nCOV-2019 has evolved from SARS-COV to adopt a new secondary structure, which causes strong correlation and makes the loop act as a recognition region for binding. |
T170 |
1063-1126 |
Sentence |
denotes |
The correlation in L3 is shown as a blue rectangle in Figure 6. |
T171 |
1127-1223 |
Sentence |
denotes |
Some of the mutations disrupted the patterns of correlation and anticorrelation in nCOV-2019-wt. |
T172 |
1224-1312 |
Sentence |
denotes |
Mutation N487A showed a stronger correlation in L3 and β6 strand than the wild-type RBD. |
T173 |
1313-1384 |
Sentence |
denotes |
In mutation E484A, correlation in L3 is stronger than the nCOV-2019-wt. |
T174 |
1385-1431 |
Sentence |
denotes |
DCCM for other mutants are shown in Figure S6. |
T175 |
1432-1603 |
Sentence |
denotes |
It is worth mentioning that mutation F486A disrupts the DCCM of nCOV-2019 by introducing strong correlations in the core region of RBD as well as the extended loop region. |
T176 |
1604-1753 |
Sentence |
denotes |
Residue F486 resides in L3 and plays a crucial role in stabilizing the recognition loop by making a π-stacking interaction with residue Y83A on ACE2. |
T177 |
1754-1845 |
Sentence |
denotes |
Figure 6 DCCM for nCOV-2019, SARS-COV, and mutants with residue numbers of the RBD domain. |
T178 |
1846-1935 |
Sentence |
denotes |
Red boxes show the correlation between α5, L4, and β5 regions and α4, L1, and β5 regions. |
T179 |
1936-1989 |
Sentence |
denotes |
Blue boxes show the correlation in L3 and β6 regions. |