## |
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 |
|
B |
184 |
42 |
6558 |
◊ |
A |
x,y,z |
1_555 |
187 |
42 |
6518 |
1753.7 |
-21.9 |
0.451 |
25 |
8 |
0 |
0.361 |
2 |
|
D |
182 |
42 |
6471 |
◊ |
C |
x,y,z |
1_555 |
184 |
42 |
6532 |
1750.4 |
-22.2 |
0.464 |
27 |
8 |
0 |
0.361 |
Average: |
1752.0 |
-22.1 |
0.458 |
26 |
8 |
0 |
0.361 |
2 |
3 |
|
A |
48 |
13 |
6518 |
◊ |
B |
x-1,y,z |
1_455 |
39 |
10 |
6558 |
395.2 |
-3.6 |
0.599 |
0 |
0 |
0 |
0.048 |
4 |
|
D |
42 |
11 |
6471 |
◊ |
C |
x-1,y,z |
1_455 |
45 |
13 |
6532 |
382.7 |
-4.2 |
0.590 |
0 |
0 |
0 |
0.048 |
Average: |
389.0 |
-3.9 |
0.594 |
0 |
0 |
0 |
0.048 |
3 |
5 |
|
[017]C:101 |
31 |
1 |
721 |
◊ |
D |
x,y,z |
1_555 |
45 |
18 |
6471 |
335.6 |
-2.7 |
0.769 |
1 |
0 |
0 |
0.029 |
6 |
|
[017]A:101 |
31 |
1 |
721 |
◊ |
B |
x,y,z |
1_555 |
45 |
18 |
6558 |
333.5 |
-2.7 |
0.754 |
0 |
0 |
0 |
0.029 |
Average: |
334.6 |
-2.7 |
0.761 |
1 |
0 |
0 |
0.029 |
4 |
7 |
|
[017]A:101 |
32 |
1 |
721 |
f |
A |
x,y,z |
1_555 |
41 |
16 |
6518 |
314.8 |
-7.1 |
0.470 |
3 |
0 |
0 |
0.099 |
8 |
|
[017]C:101 |
32 |
1 |
721 |
f |
C |
x,y,z |
1_555 |
38 |
15 |
6532 |
312.6 |
-7.4 |
0.425 |
3 |
0 |
0 |
0.099 |
Average: |
313.7 |
-7.2 |
0.448 |
3 |
0 |
0 |
0.099 |
5 |
9 |
|
A |
29 |
8 |
6518 |
◊ |
B |
-x,y-1/2,-z+1 |
2_546 |
32 |
8 |
6558 |
294.7 |
-3.0 |
0.572 |
2 |
0 |
0 |
0.000 |
10 |
|
D |
31 |
8 |
6471 |
◊ |
C |
-x+1,y-1/2,-z |
2_645 |
29 |
8 |
6532 |
272.8 |
-3.6 |
0.459 |
0 |
0 |
0 |
0.000 |
Average: |
283.8 |
-3.3 |
0.515 |
1 |
0 |
0 |
0.000 |
6 |
11 |
|
C |
22 |
6 |
6532 |
◊ |
B |
x,y,z |
1_555 |
29 |
8 |
6558 |
244.8 |
-4.3 |
0.337 |
0 |
0 |
0 |
0.000 |
12 |
|
D |
29 |
8 |
6471 |
◊ |
A |
x,y,z-1 |
1_554 |
22 |
6 |
6518 |
244.1 |
-4.4 |
0.302 |
0 |
0 |
0 |
0.000 |
Average: |
244.4 |
-4.4 |
0.320 |
0 |
0 |
0 |
0.000 |
7 |
13 |
|
C |
21 |
5 |
6532 |
◊ |
B |
x,y,z-1 |
1_554 |
30 |
9 |
6558 |
193.7 |
-2.5 |
0.580 |
0 |
0 |
0 |
0.000 |
14 |
|
D |
23 |
7 |
6471 |
◊ |
A |
x,y,z |
1_555 |
17 |
3 |
6518 |
174.6 |
-2.2 |
0.539 |
0 |
0 |
0 |
0.000 |
Average: |
184.1 |
-2.3 |
0.559 |
0 |
0 |
0 |
0.000 |
8 |
15 |
|
B |
18 |
3 |
6558 |
◊ |
A |
-x,y-1/2,-z+1 |
2_546 |
21 |
6 |
6518 |
170.8 |
-1.4 |
0.634 |
0 |
1 |
0 |
0.000 |
16 |
|
C |
23 |
6 |
6532 |
◊ |
D |
-x+1,y-1/2,-z |
2_645 |
18 |
3 |
6471 |
168.8 |
-1.6 |
0.637 |
0 |
1 |
0 |
0.000 |
Average: |
169.8 |
-1.5 |
0.635 |
0 |
1 |
0 |
0.000 |
9 |
17 |
|
A |
17 |
6 |
6518 |
◊ |
C |
x-1,y,z |
1_455 |
14 |
4 |
6532 |
154.0 |
-2.1 |
0.471 |
0 |
1 |
0 |
0.000 |
18 |
|
A |
15 |
4 |
6518 |
◊ |
C |
x-1,y,z+1 |
1_456 |
14 |
5 |
6532 |
130.9 |
-2.5 |
0.379 |
0 |
1 |
0 |
0.000 |
Average: |
142.5 |
-2.3 |
0.425 |
0 |
1 |
0 |
0.000 |
10 |
19 |
|
[SO4]C:103 |
5 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
15 |
5 |
6532 |
99.0 |
-14.6 |
0.885 |
0 |
0 |
0 |
0.166 |
11 |
20 |
|
D |
15 |
4 |
6471 |
x |
D |
-x,y-1/2,-z |
2_545 |
12 |
6 |
6471 |
92.8 |
-2.2 |
0.382 |
0 |
0 |
0 |
0.000 |
21 |
|
B |
9 |
5 |
6558 |
x |
B |
-x+1,y-1/2,-z+1 |
2_646 |
14 |
4 |
6558 |
82.0 |
-1.9 |
0.356 |
0 |
0 |
0 |
0.000 |
Average: |
87.4 |
-2.1 |
0.369 |
0 |
0 |
0 |
0.000 |
12 |
22 |
|
[SO4]A:104 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
12 |
5 |
6518 |
83.6 |
-10.3 |
0.918 |
2 |
0 |
0 |
0.118 |
13 |
23 |
|
[SO4]D:101 |
5 |
1 |
184 |
f |
D |
x,y,z |
1_555 |
14 |
5 |
6471 |
81.6 |
-11.4 |
0.898 |
2 |
0 |
0 |
0.139 |
14 |
24 |
|
[SO4]B:101 |
5 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
13 |
5 |
6558 |
81.2 |
-11.4 |
0.888 |
2 |
0 |
0 |
0.129 |
15 |
25 |
|
[SO4]C:104 |
5 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
13 |
4 |
6532 |
79.6 |
-10.0 |
0.921 |
1 |
0 |
0 |
0.118 |
16 |
26 |
|
[SO4]C:102 |
5 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
10 |
3 |
6532 |
77.4 |
-10.8 |
0.759 |
1 |
0 |
0 |
0.127 |
17 |
27 |
|
[SO4]A:103 |
5 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
9 |
3 |
6518 |
66.6 |
-9.4 |
0.671 |
1 |
0 |
0 |
0.103 |
18 |
28 |
|
B |
4 |
1 |
6558 |
x |
B |
-x,y-1/2,-z+1 |
2_546 |
13 |
6 |
6558 |
66.4 |
-1.7 |
0.184 |
0 |
0 |
0 |
0.000 |
29 |
|
D |
12 |
6 |
6471 |
x |
D |
-x+1,y-1/2,-z |
2_645 |
4 |
1 |
6471 |
66.1 |
-1.7 |
0.189 |
0 |
0 |
0 |
0.000 |
Average: |
66.3 |
-1.7 |
0.186 |
0 |
0 |
0 |
0.000 |
19 |
30 |
|
[SO4]C:106 |
5 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
10 |
4 |
6532 |
65.0 |
-8.6 |
0.848 |
1 |
0 |
0 |
0.103 |
20 |
31 |
|
[SO4]A:102 |
4 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
9 |
3 |
6518 |
63.6 |
-8.5 |
0.843 |
0 |
0 |
0 |
0.089 |
21 |
32 |
|
D |
6 |
4 |
6471 |
◊ |
B |
x,y,z-1 |
1_554 |
7 |
4 |
6558 |
53.2 |
-1.3 |
0.362 |
0 |
0 |
0 |
0.000 |
33 |
|
D |
5 |
3 |
6471 |
◊ |
B |
x,y,z |
1_555 |
5 |
3 |
6558 |
48.9 |
-1.3 |
0.305 |
0 |
0 |
0 |
0.000 |
Average: |
51.0 |
-1.3 |
0.334 |
0 |
0 |
0 |
0.000 |
22 |
34 |
|
D |
7 |
3 |
6471 |
◊ |
[SO4]C:104 |
x-1,y,z |
1_455 |
4 |
1 |
185 |
52.8 |
-7.2 |
0.759 |
1 |
0 |
0 |
0.086 |
23 |
35 |
|
[SO4]A:104 |
4 |
1 |
185 |
◊ |
B |
x-1,y,z |
1_455 |
7 |
3 |
6558 |
52.3 |
-7.2 |
0.754 |
0 |
0 |
0 |
0.011 |
24 |
36 |
|
[SO4]A:105 |
4 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
6 |
3 |
6518 |
48.0 |
-5.3 |
0.936 |
1 |
0 |
0 |
0.061 |
25 |
37 |
|
[SO4]C:105 |
3 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
5 |
3 |
6532 |
46.6 |
-5.7 |
0.881 |
1 |
0 |
0 |
0.070 |
26 |
38 |
|
[SO4]A:102 |
4 |
1 |
186 |
◊ |
D |
-x,y-1/2,-z |
2_545 |
8 |
2 |
6471 |
43.6 |
-5.5 |
0.792 |
1 |
0 |
0 |
0.000 |
27 |
39 |
|
B |
8 |
2 |
6558 |
◊ |
[SO4]C:106 |
-x+1,y-1/2,-z |
2_645 |
3 |
1 |
186 |
41.7 |
-5.2 |
0.792 |
1 |
0 |
0 |
0.000 |
28 |
40 |
|
[SO4]A:102 |
3 |
1 |
186 |
◊ |
B |
-x,y-1/2,-z+1 |
2_546 |
3 |
2 |
6558 |
33.8 |
-3.5 |
0.954 |
0 |
0 |
0 |
0.000 |
29 |
41 |
|
[SO4]A:103 |
1 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
6558 |
17.9 |
-2.0 |
0.815 |
0 |
0 |
0 |
0.021 |
30 |
42 |
|
[SO4]C:102 |
1 |
1 |
186 |
◊ |
D |
x,y,z |
1_555 |
3 |
1 |
6471 |
17.5 |
-2.0 |
0.816 |
0 |
0 |
0 |
0.017 |
31 |
43 |
|
[SO4]C:105 |
2 |
1 |
185 |
f |
[SO4]C:103 |
x,y,z |
1_555 |
4 |
1 |
185 |
17.2 |
-3.9 |
0.979 |
0 |
0 |
0 |
0.044 |
32 |
44 |
|
[SO4]A:102 |
3 |
1 |
186 |
◊ |
C |
-x,y-1/2,-z |
2_545 |
1 |
1 |
6532 |
15.4 |
-1.4 |
0.931 |
0 |
0 |
0 |
0.000 |
33 |
45 |
|
A |
1 |
1 |
6518 |
◊ |
[SO4]C:106 |
-x+1,y-1/2,-z |
2_645 |
4 |
1 |
186 |
14.6 |
-1.2 |
0.926 |
0 |
0 |
0 |
0.000 |
34 |
46 |
|
D |
1 |
1 |
6471 |
◊ |
[SO4]C:106 |
-x+1,y-1/2,-z |
2_645 |
1 |
1 |
186 |
5.6 |
-0.8 |
0.536 |
0 |
0 |
0 |
0.000 |
35 |
47 |
|
B |
1 |
1 |
6558 |
◊ |
D |
-x,y-1/2,-z |
2_545 |
1 |
1 |
6471 |
3.5 |
-0.0 |
0.567 |
0 |
0 |
0 |
0.000 |
48 |
|
B |
1 |
1 |
6558 |
◊ |
D |
-x+1,y-1/2,-z |
2_645 |
1 |
1 |
6471 |
3.4 |
-0.0 |
0.569 |
0 |
0 |
0 |
0.000 |
Average: |
3.5 |
-0.0 |
0.568 |
0 |
0 |
0 |
0.000 |
36 |
49 |
|
A |
2 |
1 |
6518 |
◊ |
D |
-x,y-1/2,-z |
2_545 |
1 |
1 |
6471 |
2.7 |
-0.1 |
0.522 |
0 |
0 |
0 |
0.000 |
50 |
|
B |
1 |
1 |
6558 |
◊ |
C |
-x+1,y-1/2,-z |
2_645 |
1 |
1 |
6532 |
2.0 |
-0.1 |
0.494 |
0 |
0 |
0 |
0.000 |
Average: |
2.3 |
-0.1 |
0.508 |
0 |
0 |
0 |
0.000 |
|