## |
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 |
|
D |
212 |
59 |
8373 |
◊ |
C |
x,y,z |
1_555 |
207 |
59 |
8400 |
2054.7 |
-28.8 |
0.063 |
32 |
16 |
0 |
0.935 |
2 |
|
E |
208 |
59 |
8266 |
◊ |
E |
-x+1,y,-z+1 |
2_656 |
207 |
58 |
8266 |
2044.5 |
-30.0 |
0.053 |
30 |
16 |
0 |
0.935 |
3 |
|
B |
202 |
57 |
8277 |
◊ |
A |
x,y,z |
1_555 |
203 |
57 |
8282 |
2014.8 |
-28.4 |
0.069 |
30 |
16 |
0 |
0.935 |
Average: |
2038.0 |
-29.1 |
0.062 |
31 |
16 |
0 |
0.935 |
2 |
4 |
|
D |
56 |
20 |
8373 |
◊ |
B |
x,y,z |
1_555 |
56 |
19 |
8277 |
477.4 |
-2.1 |
0.636 |
3 |
2 |
0 |
0.151 |
3 |
5 |
|
A |
23 |
9 |
8282 |
◊ |
C |
x,y,z-1 |
1_554 |
26 |
8 |
8400 |
205.9 |
0.2 |
0.673 |
3 |
1 |
0 |
0.000 |
4 |
6 |
|
[R10]A:200 |
15 |
1 |
379 |
f |
A |
x,y,z |
1_555 |
23 |
12 |
8282 |
168.6 |
3.5 |
0.665 |
12 |
0 |
0 |
0.100 |
7 |
|
[R10]B:200 |
15 |
1 |
379 |
f |
B |
x,y,z |
1_555 |
20 |
11 |
8277 |
167.9 |
3.6 |
0.625 |
10 |
0 |
0 |
0.100 |
8 |
|
[R10]C:200 |
15 |
1 |
375 |
f |
C |
x,y,z |
1_555 |
22 |
12 |
8400 |
167.7 |
3.4 |
0.644 |
12 |
0 |
0 |
0.100 |
9 |
|
[R10]E:200 |
15 |
1 |
376 |
f |
E |
x,y,z |
1_555 |
22 |
12 |
8266 |
166.9 |
3.3 |
0.615 |
12 |
0 |
0 |
0.100 |
10 |
|
[R10]D:200 |
15 |
1 |
376 |
f |
D |
x,y,z |
1_555 |
21 |
11 |
8373 |
165.6 |
3.5 |
0.595 |
11 |
0 |
0 |
0.100 |
Average: |
167.3 |
3.5 |
0.629 |
11 |
0 |
0 |
0.100 |
5 |
11 |
|
C |
21 |
10 |
8400 |
◊ |
E |
x-1/2,y+1/2,z |
3_455 |
21 |
8 |
8266 |
156.5 |
1.3 |
0.801 |
2 |
5 |
0 |
0.000 |
6 |
12 |
|
B |
19 |
6 |
8277 |
◊ |
D |
-x+1/2,y-1/2,-z+1 |
4_546 |
13 |
4 |
8373 |
129.9 |
-0.5 |
0.615 |
2 |
0 |
0 |
0.000 |
13 |
|
B |
13 |
4 |
8277 |
◊ |
A |
-x,y,-z |
2_555 |
19 |
6 |
8282 |
129.0 |
-0.7 |
0.594 |
2 |
0 |
0 |
0.000 |
14 |
|
E |
13 |
5 |
8266 |
◊ |
D |
x,y,z |
1_555 |
22 |
7 |
8373 |
126.1 |
-0.9 |
0.562 |
2 |
0 |
0 |
0.000 |
15 |
|
A |
10 |
3 |
8282 |
◊ |
C |
-x+1/2,y-1/2,-z+1 |
4_546 |
16 |
5 |
8400 |
125.2 |
-0.9 |
0.518 |
2 |
0 |
0 |
0.000 |
16 |
|
E |
19 |
6 |
8266 |
◊ |
C |
-x+1,y,-z+1 |
2_656 |
11 |
4 |
8400 |
123.4 |
-0.8 |
0.569 |
2 |
0 |
0 |
0.000 |
Average: |
126.7 |
-0.8 |
0.572 |
2 |
0 |
0 |
0.000 |
7 |
17 |
|
[R10]B:200 |
12 |
1 |
379 |
◊ |
A |
x,y,z |
1_555 |
15 |
6 |
8282 |
128.4 |
2.5 |
0.443 |
5 |
0 |
0 |
0.000 |
18 |
|
[R10]A:200 |
12 |
1 |
379 |
◊ |
B |
x,y,z |
1_555 |
15 |
6 |
8277 |
127.5 |
2.7 |
0.479 |
5 |
0 |
0 |
0.000 |
19 |
|
[R10]D:200 |
13 |
1 |
376 |
◊ |
C |
x,y,z |
1_555 |
16 |
6 |
8400 |
127.3 |
2.3 |
0.389 |
5 |
0 |
0 |
0.000 |
20 |
|
[R10]E:200 |
12 |
1 |
376 |
◊ |
E |
-x+1,y,-z+1 |
2_656 |
15 |
6 |
8266 |
126.1 |
2.6 |
0.440 |
5 |
0 |
0 |
0.000 |
21 |
|
[R10]C:200 |
12 |
1 |
375 |
◊ |
D |
x,y,z |
1_555 |
15 |
6 |
8373 |
124.7 |
2.4 |
0.450 |
5 |
0 |
0 |
0.000 |
Average: |
126.8 |
2.5 |
0.440 |
5 |
0 |
0 |
0.000 |
8 |
22 |
|
E |
11 |
3 |
8266 |
x |
B |
x,y,z |
1_555 |
8 |
2 |
8277 |
90.2 |
1.0 |
0.808 |
0 |
0 |
0 |
0.000 |
23 |
|
D |
7 |
2 |
8373 |
x |
D |
-x+1/2,y-1/2,-z+1 |
4_546 |
11 |
3 |
8373 |
85.6 |
1.8 |
0.876 |
0 |
0 |
0 |
0.000 |
Average: |
87.9 |
1.4 |
0.842 |
0 |
0 |
0 |
0.000 |
9 |
24 |
|
A |
8 |
4 |
8282 |
◊ |
A |
-x,y,-z |
2_555 |
8 |
4 |
8282 |
67.9 |
1.7 |
0.883 |
0 |
0 |
0 |
0.000 |
25 |
|
E |
6 |
2 |
8266 |
◊ |
D |
-x+1,y,-z+1 |
2_656 |
6 |
2 |
8373 |
57.2 |
1.5 |
0.882 |
0 |
0 |
0 |
0.000 |
26 |
|
B |
8 |
4 |
8277 |
◊ |
C |
-x+1/2,y-1/2,-z+1 |
4_546 |
6 |
2 |
8400 |
57.0 |
1.4 |
0.862 |
0 |
0 |
0 |
0.000 |
Average: |
60.7 |
1.5 |
0.876 |
0 |
0 |
0 |
0.000 |
10 |
27 |
|
[SO4]A:300 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
5 |
4 |
8277 |
42.3 |
-4.9 |
0.757 |
0 |
0 |
0 |
0.198 |
11 |
28 |
|
[SO4]C:300 |
4 |
1 |
186 |
f |
D |
x,y,z |
1_555 |
5 |
3 |
8373 |
41.5 |
-5.0 |
0.764 |
0 |
0 |
0 |
0.200 |
12 |
29 |
|
B |
3 |
1 |
8277 |
◊ |
B |
-x,y,-z+1 |
2_556 |
3 |
1 |
8277 |
39.9 |
1.1 |
0.896 |
0 |
0 |
0 |
0.000 |
13 |
30 |
|
[SO4]A:300 |
4 |
1 |
185 |
◊ |
D |
x,y,z |
1_555 |
4 |
2 |
8373 |
39.1 |
-3.2 |
0.969 |
3 |
0 |
0 |
0.182 |
14 |
31 |
|
[SO4]C:300 |
4 |
1 |
186 |
◊ |
B |
x,y,z |
1_555 |
4 |
2 |
8277 |
38.0 |
-3.1 |
0.967 |
3 |
0 |
0 |
0.178 |
15 |
32 |
|
C |
6 |
3 |
8400 |
◊ |
D |
-x+1/2,y-1/2,-z+1 |
4_546 |
2 |
1 |
8373 |
37.1 |
1.0 |
0.841 |
1 |
1 |
0 |
0.000 |
33 |
|
E |
2 |
1 |
8266 |
◊ |
A |
x,y,z |
1_555 |
5 |
2 |
8282 |
36.8 |
1.0 |
0.833 |
1 |
1 |
0 |
0.000 |
Average: |
36.9 |
1.0 |
0.837 |
1 |
1 |
0 |
0.000 |
16 |
34 |
|
[SO4]A:300 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
4 |
2 |
8282 |
29.1 |
-2.4 |
0.939 |
0 |
0 |
0 |
0.045 |
17 |
35 |
|
[SO4]C:300 |
4 |
1 |
186 |
◊ |
C |
x,y,z |
1_555 |
3 |
2 |
8400 |
26.9 |
-2.2 |
0.958 |
0 |
0 |
0 |
0.039 |
18 |
36 |
|
[R10]E:200 |
3 |
1 |
376 |
◊ |
D |
x,y,z |
1_555 |
2 |
1 |
8373 |
17.8 |
0.7 |
0.541 |
0 |
0 |
0 |
0.000 |
37 |
|
[R10]C:200 |
3 |
1 |
375 |
◊ |
E |
-x+1,y,-z+1 |
2_656 |
2 |
1 |
8266 |
17.2 |
0.7 |
0.542 |
0 |
0 |
0 |
0.000 |
38 |
|
B |
3 |
1 |
8277 |
◊ |
[R10]D:200 |
-x+1/2,y-1/2,-z+1 |
4_546 |
3 |
1 |
376 |
16.6 |
0.6 |
0.531 |
0 |
0 |
0 |
0.000 |
39 |
|
[R10]A:200 |
3 |
1 |
379 |
◊ |
C |
-x+1/2,y-1/2,-z+1 |
4_546 |
2 |
1 |
8400 |
15.5 |
0.6 |
0.537 |
0 |
0 |
0 |
0.000 |
40 |
|
[R10]B:200 |
3 |
1 |
379 |
◊ |
A |
-x,y,-z |
2_555 |
2 |
1 |
8282 |
14.9 |
0.5 |
0.523 |
0 |
0 |
0 |
0.000 |
Average: |
16.4 |
0.6 |
0.535 |
0 |
0 |
0 |
0.000 |
19 |
41 |
|
E |
1 |
1 |
8266 |
◊ |
C |
-x+1/2,y-1/2,-z+1 |
4_546 |
2 |
1 |
8400 |
17.1 |
0.5 |
0.872 |
0 |
0 |
0 |
0.000 |
42 |
|
D |
1 |
1 |
8373 |
◊ |
E |
x-1/2,y+1/2,z |
3_455 |
3 |
1 |
8266 |
8.0 |
0.4 |
0.816 |
0 |
0 |
0 |
0.000 |
Average: |
12.6 |
0.5 |
0.844 |
0 |
0 |
0 |
0.000 |
20 |
43 |
|
A |
2 |
1 |
8282 |
◊ |
D |
x,y,z-1 |
1_554 |
1 |
1 |
8373 |
2.9 |
-0.1 |
0.510 |
0 |
0 |
0 |
0.000 |
|