| ## |
Structure 1 |
× |
Structure 2 |
interface area, Å2 |
ΔiG kcal/mol |
ΔiG P-value |
NHB |
NSB |
NDS |
CSS |
| Id |
NN |
«» |
Range |
iNat |
iNres |
Surface Å2 |
Range |
Symmetry op-n |
Sym.ID |
iNat |
iNres |
Surface Å2 |
| 1 |
1 |
|
C |
216 |
56 |
17759 |
◊ |
B |
x,y,z |
1_555 |
210 |
55 |
17717 |
2206.6 |
-28.7 |
0.019 |
14 |
9 |
0 |
0.095 |
2 |
|
D |
216 |
57 |
22047 |
◊ |
A |
x,y,z |
1_555 |
215 |
59 |
21854 |
2204.7 |
-28.3 |
0.008 |
16 |
9 |
0 |
0.095 |
| Average: |
2205.6 |
-28.5 |
0.013 |
15 |
9 |
0 |
0.095 |
| 2 |
3 |
|
D |
92 |
26 |
22047 |
◊ |
B |
x,y,z |
1_555 |
92 |
26 |
17717 |
932.3 |
-6.2 |
0.341 |
14 |
4 |
0 |
0.028 |
4 |
|
C |
92 |
26 |
17759 |
◊ |
A |
x,y,z |
1_555 |
94 |
26 |
21854 |
908.6 |
-5.2 |
0.424 |
14 |
4 |
0 |
0.028 |
| Average: |
920.4 |
-5.7 |
0.382 |
14 |
4 |
0 |
0.028 |
| 3 |
5 |
|
A |
41 |
13 |
21854 |
◊ |
B |
-x+1/2,y-1/2,-z+1 |
4_546 |
41 |
13 |
17717 |
367.2 |
-1.2 |
0.559 |
4 |
4 |
0 |
0.000 |
| 4 |
6 |
|
A |
41 |
16 |
21854 |
f |
[QV7]B:499 |
-x+1/2,y-1/2,-z+1 |
4_546 |
23 |
1 |
832 |
281.3 |
-2.3 |
0.295 |
5 |
0 |
0 |
0.009 |
| 5 |
7 |
|
D |
31 |
9 |
22047 |
◊ |
B |
x-1/2,y-1/2,z |
3_445 |
31 |
8 |
17717 |
278.3 |
-3.2 |
0.178 |
0 |
3 |
0 |
0.000 |
8 |
|
C |
33 |
9 |
17759 |
◊ |
A |
x,y,z-1 |
1_554 |
31 |
11 |
21854 |
274.2 |
-2.6 |
0.267 |
2 |
5 |
0 |
0.000 |
| Average: |
276.3 |
-2.9 |
0.223 |
1 |
4 |
0 |
0.000 |
| 6 |
9 |
|
[QV7]D:503 |
35 |
1 |
787 |
◊ |
[QV7]D:503 |
-x,y,-z+1 |
2_556 |
34 |
1 |
787 |
277.4 |
-0.1 |
0.142 |
0 |
0 |
0 |
0.000 |
| 7 |
10 |
|
[QV7]B:504 |
36 |
1 |
832 |
f |
[QV7]B:501 |
x,y,z |
1_555 |
35 |
1 |
825 |
235.7 |
-2.1 |
0.181 |
0 |
0 |
0 |
0.004 |
| 8 |
11 |
|
[QV7]D:503 |
24 |
1 |
787 |
◊ |
D |
x,y,z |
1_555 |
26 |
8 |
22047 |
218.5 |
0.5 |
0.454 |
4 |
0 |
0 |
0.000 |
| 9 |
12 |
|
[QV7]B:499 |
23 |
1 |
832 |
◊ |
B |
x,y,z |
1_555 |
27 |
9 |
17717 |
213.4 |
0.2 |
0.552 |
4 |
0 |
0 |
0.000 |
| 10 |
13 |
|
[QV7]A:499 |
33 |
1 |
826 |
◊ |
[QV7]B:499 |
-x+1/2,y-1/2,-z+1 |
4_546 |
35 |
1 |
832 |
202.7 |
-1.4 |
0.245 |
0 |
0 |
0 |
0.000 |
| 11 |
14 |
|
[QV8]B:500 |
22 |
1 |
534 |
◊ |
B |
x,y,z |
1_555 |
26 |
6 |
17717 |
198.0 |
-0.0 |
0.804 |
2 |
0 |
0 |
0.002 |
| 12 |
15 |
|
[QV7]B:501 |
22 |
1 |
825 |
◊ |
D |
x,y,z |
1_555 |
24 |
7 |
22047 |
183.2 |
-0.6 |
0.423 |
0 |
0 |
0 |
0.001 |
| 13 |
16 |
|
[QV7]B:504 |
23 |
1 |
832 |
◊ |
C |
x,y,z |
1_555 |
23 |
6 |
17759 |
180.1 |
-0.7 |
0.425 |
0 |
0 |
0 |
0.000 |
| 14 |
17 |
|
[QV7]A:499 |
31 |
1 |
826 |
f |
[QV8]B:500 |
-x+1/2,y-1/2,-z+1 |
4_546 |
25 |
1 |
534 |
176.7 |
-2.8 |
0.343 |
0 |
0 |
0 |
0.100 |
| 15 |
18 |
|
D |
21 |
9 |
22047 |
◊ |
D |
-x,y,-z+1 |
2_556 |
21 |
9 |
22047 |
171.9 |
0.1 |
0.634 |
2 |
0 |
0 |
0.000 |
| 16 |
19 |
|
[QV7]A:499 |
24 |
1 |
826 |
◊ |
B |
-x+1/2,y-1/2,-z+1 |
4_546 |
18 |
8 |
17717 |
169.6 |
1.0 |
0.593 |
3 |
0 |
0 |
0.000 |
| 17 |
20 |
|
[QV7]A:499 |
19 |
1 |
826 |
◊ |
A |
x,y,z |
1_555 |
17 |
5 |
21854 |
158.9 |
-0.4 |
0.402 |
2 |
0 |
0 |
0.000 |
| 18 |
21 |
|
[QV7]B:501 |
16 |
1 |
825 |
◊ |
B |
x,y,z |
1_555 |
19 |
7 |
17717 |
148.0 |
0.2 |
0.560 |
0 |
0 |
0 |
0.000 |
| 19 |
22 |
|
[QV7]D:503 |
20 |
1 |
787 |
f |
D |
-x,y,-z+1 |
2_556 |
20 |
6 |
22047 |
140.7 |
-0.8 |
0.272 |
2 |
0 |
0 |
0.004 |
| 20 |
23 |
|
[QV7]B:504 |
13 |
1 |
832 |
f |
A |
x,y,z |
1_555 |
17 |
6 |
21854 |
140.6 |
0.1 |
0.536 |
0 |
0 |
0 |
0.000 |
| 21 |
24 |
|
[K]A:501 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
21 |
11 |
21854 |
125.1 |
-71.9 |
0.000 |
0 |
0 |
0 |
0.294 |
25 |
|
[K]D:502 |
1 |
1 |
216 |
f |
D |
x,y,z |
1_555 |
20 |
11 |
22047 |
121.2 |
-68.8 |
0.000 |
0 |
0 |
0 |
0.294 |
26 |
|
[K]B:502 |
1 |
1 |
216 |
f |
B |
x,y,z |
1_555 |
20 |
13 |
17717 |
109.5 |
-62.6 |
0.000 |
0 |
0 |
0 |
0.294 |
| Average: |
118.6 |
-67.8 |
0.000 |
0 |
0 |
0 |
0.294 |
| 22 |
27 |
|
[SO4]C:499 |
5 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
24 |
9 |
17759 |
124.7 |
-19.8 |
0.687 |
6 |
0 |
0 |
0.059 |
| 23 |
28 |
|
[K]B:503 |
1 |
1 |
216 |
f |
B |
x,y,z |
1_555 |
19 |
9 |
17717 |
123.1 |
-85.9 |
0.000 |
0 |
0 |
0 |
0.456 |
29 |
|
[K]C:501 |
1 |
1 |
216 |
f |
C |
x,y,z |
1_555 |
18 |
9 |
17759 |
123.1 |
-87.7 |
0.000 |
0 |
0 |
0 |
0.456 |
30 |
|
[K]A:502 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
16 |
8 |
21854 |
119.8 |
-84.8 |
0.000 |
0 |
0 |
0 |
0.456 |
| Average: |
122.0 |
-86.2 |
0.000 |
0 |
0 |
0 |
0.456 |
| 24 |
31 |
|
[SO4]D:499 |
5 |
1 |
184 |
f |
D |
x,y,z |
1_555 |
26 |
10 |
22047 |
118.2 |
-17.2 |
0.664 |
1 |
0 |
0 |
0.037 |
| 25 |
32 |
|
[SO4]D:500 |
5 |
1 |
184 |
f |
D |
x,y,z |
1_555 |
22 |
9 |
22047 |
117.9 |
-19.3 |
0.632 |
8 |
0 |
0 |
0.048 |
| 26 |
33 |
|
[K]C:500 |
1 |
1 |
216 |
f |
C |
x,y,z |
1_555 |
13 |
10 |
17759 |
114.8 |
-85.9 |
0.000 |
0 |
0 |
0 |
0.225 |
34 |
|
[K]D:501 |
1 |
1 |
216 |
f |
D |
x,y,z |
1_555 |
14 |
10 |
22047 |
114.1 |
-83.7 |
0.000 |
0 |
0 |
0 |
0.225 |
| Average: |
114.4 |
-84.8 |
0.000 |
0 |
0 |
0 |
0.225 |
| 27 |
35 |
|
A |
15 |
5 |
21854 |
◊ |
D |
-x+1/2,y-1/2,-z+1 |
4_546 |
15 |
5 |
22047 |
113.2 |
0.8 |
0.669 |
2 |
2 |
0 |
0.000 |
| 28 |
36 |
|
[SO4]A:500 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
18 |
9 |
21854 |
106.4 |
-17.2 |
0.632 |
8 |
0 |
0 |
0.043 |
| 29 |
37 |
|
[QV7]B:501 |
6 |
1 |
825 |
f |
A |
x,y,z |
1_555 |
7 |
3 |
21854 |
65.5 |
0.3 |
0.586 |
3 |
0 |
0 |
0.002 |
| 30 |
38 |
|
[K]D:502 |
1 |
1 |
216 |
f |
[K]D:501 |
x,y,z |
1_555 |
1 |
1 |
216 |
47.5 |
-47.5 |
0.000 |
0 |
0 |
0 |
0.099 |
| 31 |
39 |
|
[QV7]B:504 |
6 |
1 |
832 |
◊ |
B |
x,y,z |
1_555 |
5 |
2 |
17717 |
45.3 |
0.1 |
0.553 |
1 |
0 |
0 |
0.000 |
| 32 |
40 |
|
[K]D:502 |
1 |
1 |
216 |
f |
[SO4]D:499 |
x,y,z |
1_555 |
3 |
1 |
184 |
23.7 |
-13.7 |
0.000 |
0 |
0 |
0 |
0.029 |
| 33 |
41 |
|
[QV8]B:500 |
2 |
1 |
534 |
◊ |
[QV7]B:499 |
x,y,z |
1_555 |
5 |
1 |
832 |
15.0 |
0.3 |
0.643 |
0 |
0 |
0 |
0.000 |
| 34 |
42 |
|
[QV7]B:504 |
3 |
1 |
832 |
◊ |
D |
x,y,z |
1_555 |
1 |
1 |
22047 |
9.5 |
-0.2 |
0.322 |
0 |
0 |
0 |
0.000 |
| 35 |
43 |
|
A |
1 |
1 |
21854 |
◊ |
[QV8]B:500 |
-x+1/2,y-1/2,-z+1 |
4_546 |
1 |
1 |
534 |
5.6 |
-0.2 |
0.407 |
0 |
0 |
0 |
0.000 |
| 36 |
44 |
|
[QV7]B:501 |
1 |
1 |
825 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
17759 |
2.1 |
-0.0 |
0.503 |
0 |
0 |
0 |
0.000 |
|