Table 1.
Total charge | +2 | +1 | 0 | −1 | −2 |
---|---|---|---|---|---|
HIS | 0 | 0 | 0 | 0 | −1 |
CYS | 0 | 0 | 0 | −1 | −1 |
CYS | 0 | 0 | −1 | −1 | −1 |
CYS | 0 | −1 | −1 | −1 | −1 |
Total energy | −3518.046193 | −3517.767790 | −3517.386853 | −3516.865598 | −3516.231373 |
Total charge | +2 | +1 | 0 | −1 | −2 |
---|---|---|---|---|---|
HIS | 0 | 0 | 0 | 0 | −1 |
CYS | 0 | 0 | 0 | −1 | −1 |
CYS | 0 | 0 | −1 | −1 | −1 |
CYS | 0 | −1 | −1 | −1 | −1 |
Total energy | −3518.046193 | −3517.767790 | −3517.386853 | −3516.865598 | −3516.231373 |