## |
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 |
46 |
15 |
2803 |
◊ |
B |
x,y,z |
1_555 |
43 |
15 |
2722 |
445.0 |
-6.5 |
0.104 |
8 |
0 |
0 |
0.204 |
2 |
|
D |
40 |
14 |
2747 |
◊ |
A |
x,y,z |
1_555 |
41 |
15 |
2658 |
401.7 |
-7.4 |
0.067 |
6 |
0 |
0 |
0.204 |
Average: |
423.4 |
-6.9 |
0.086 |
7 |
0 |
0 |
0.204 |
2 |
3 |
|
D |
45 |
12 |
2747 |
◊ |
A |
x-1,y,z |
1_455 |
42 |
10 |
2658 |
401.3 |
-1.4 |
0.390 |
3 |
0 |
0 |
0.059 |
4 |
|
C |
42 |
12 |
2803 |
◊ |
B |
x-1,y,z |
1_455 |
40 |
11 |
2722 |
355.2 |
-2.7 |
0.314 |
1 |
0 |
0 |
0.059 |
Average: |
378.3 |
-2.0 |
0.352 |
2 |
0 |
0 |
0.059 |
3 |
5 |
|
D |
28 |
7 |
2747 |
◊ |
C |
x-1,y,z-1 |
1_454 |
31 |
11 |
2803 |
249.4 |
2.5 |
0.634 |
2 |
0 |
0 |
0.000 |
4 |
6 |
|
B |
21 |
8 |
2722 |
◊ |
A |
x,y,z |
1_555 |
16 |
5 |
2658 |
162.9 |
1.2 |
0.584 |
0 |
0 |
0 |
0.000 |
7 |
|
A |
19 |
7 |
2658 |
◊ |
B |
x-1,y,z |
1_455 |
14 |
4 |
2722 |
128.4 |
1.5 |
0.643 |
0 |
0 |
0 |
0.000 |
Average: |
145.6 |
1.4 |
0.613 |
0 |
0 |
0 |
0.000 |
5 |
8 |
|
D |
15 |
4 |
2747 |
◊ |
B |
-x,y-1/2,-z |
2_545 |
16 |
7 |
2722 |
147.4 |
1.7 |
0.651 |
6 |
0 |
0 |
0.000 |
6 |
9 |
|
A |
19 |
4 |
2658 |
◊ |
C |
x,y,z-1 |
1_554 |
16 |
4 |
2803 |
146.9 |
0.0 |
0.500 |
3 |
0 |
0 |
0.008 |
7 |
10 |
|
C |
13 |
4 |
2803 |
x |
C |
-x,y-1/2,-z+1 |
2_546 |
21 |
6 |
2803 |
144.1 |
1.0 |
0.564 |
4 |
0 |
0 |
0.000 |
8 |
11 |
|
B |
11 |
4 |
2722 |
x |
B |
x-1,y,z |
1_455 |
10 |
3 |
2722 |
114.4 |
2.2 |
0.793 |
1 |
0 |
0 |
0.000 |
12 |
|
A |
11 |
5 |
2658 |
x |
A |
x-1,y,z |
1_455 |
8 |
3 |
2658 |
97.3 |
1.3 |
0.732 |
2 |
0 |
0 |
0.000 |
Average: |
105.8 |
1.8 |
0.763 |
2 |
0 |
0 |
0.000 |
9 |
13 |
|
D |
17 |
5 |
2747 |
◊ |
B |
x-1,y,z-1 |
1_454 |
14 |
3 |
2722 |
106.2 |
1.0 |
0.620 |
0 |
0 |
0 |
0.000 |
10 |
14 |
|
D |
17 |
7 |
2747 |
◊ |
B |
-x-1,y-1/2,-z |
2_445 |
7 |
3 |
2722 |
97.5 |
-0.1 |
0.498 |
1 |
0 |
0 |
0.000 |
11 |
15 |
|
D |
12 |
2 |
2747 |
◊ |
C |
-x-1,y-1/2,-z |
2_445 |
11 |
6 |
2803 |
96.7 |
-1.9 |
0.245 |
0 |
0 |
0 |
0.000 |
12 |
16 |
|
C |
11 |
4 |
2803 |
◊ |
A |
x,y,z |
1_555 |
10 |
2 |
2658 |
82.0 |
-0.1 |
0.479 |
1 |
0 |
0 |
0.000 |
13 |
17 |
|
[SO4]D:101 |
5 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
15 |
5 |
2747 |
81.1 |
-10.9 |
0.790 |
6 |
0 |
0 |
0.194 |
14 |
18 |
|
[SO4]B:101 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
14 |
6 |
2722 |
75.7 |
-11.6 |
0.682 |
3 |
0 |
0 |
0.263 |
15 |
19 |
|
[SO4]A:101 |
4 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
13 |
6 |
2658 |
75.2 |
-11.5 |
0.702 |
4 |
0 |
0 |
0.181 |
16 |
20 |
|
D |
11 |
4 |
2747 |
◊ |
B |
x-1,y,z |
1_455 |
6 |
2 |
2722 |
67.2 |
-0.0 |
0.395 |
1 |
0 |
0 |
0.000 |
17 |
21 |
|
[SO4]A:102 |
5 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
9 |
4 |
2658 |
64.6 |
-7.6 |
0.836 |
4 |
0 |
0 |
0.127 |
18 |
22 |
|
[SO4]B:102 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
9 |
4 |
2722 |
63.6 |
-7.3 |
0.824 |
4 |
0 |
0 |
0.183 |
19 |
23 |
|
[SO4]D:102 |
4 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
9 |
4 |
2747 |
62.8 |
-7.4 |
0.827 |
5 |
0 |
0 |
0.138 |
20 |
24 |
|
D |
7 |
3 |
2747 |
x |
D |
x-1,y,z |
1_455 |
9 |
3 |
2747 |
60.4 |
0.7 |
0.593 |
0 |
0 |
0 |
0.000 |
25 |
|
C |
3 |
1 |
2803 |
x |
C |
x-1,y,z |
1_455 |
1 |
1 |
2803 |
4.8 |
0.0 |
0.489 |
0 |
0 |
0 |
0.000 |
Average: |
32.6 |
0.4 |
0.541 |
0 |
0 |
0 |
0.000 |
21 |
26 |
|
D |
9 |
4 |
2747 |
◊ |
C |
x,y,z-1 |
1_554 |
7 |
2 |
2803 |
60.1 |
1.6 |
0.751 |
0 |
0 |
0 |
0.000 |
22 |
27 |
|
[SO4]C:101 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
11 |
4 |
2722 |
59.1 |
-6.8 |
0.741 |
2 |
0 |
0 |
0.096 |
23 |
28 |
|
D |
7 |
3 |
2747 |
f |
[SO4]A:103 |
x-1,y,z |
1_455 |
4 |
1 |
187 |
57.4 |
-7.7 |
0.833 |
3 |
0 |
0 |
0.129 |
24 |
29 |
|
D |
9 |
4 |
2747 |
f |
[SO4]C:101 |
x-1,y,z-1 |
1_454 |
4 |
1 |
185 |
56.4 |
-7.2 |
0.677 |
3 |
0 |
0 |
0.122 |
25 |
30 |
|
[SO4]C:101 |
4 |
1 |
185 |
◊ |
C |
x,y,z |
1_555 |
7 |
3 |
2803 |
55.7 |
-7.1 |
0.732 |
2 |
0 |
0 |
0.114 |
26 |
31 |
|
B |
6 |
3 |
2722 |
◊ |
C |
-x+1,y-1/2,-z+1 |
2_646 |
9 |
3 |
2803 |
53.8 |
1.7 |
0.749 |
0 |
0 |
0 |
0.000 |
27 |
32 |
|
A |
9 |
4 |
2658 |
◊ |
[SO4]B:102 |
x-1,y,z |
1_455 |
4 |
1 |
185 |
53.7 |
-5.9 |
0.677 |
2 |
0 |
0 |
0.000 |
28 |
33 |
|
A |
5 |
2 |
2658 |
◊ |
[SO4]B:101 |
x-1,y,z |
1_455 |
4 |
1 |
185 |
51.4 |
-5.2 |
0.920 |
3 |
0 |
0 |
0.000 |
29 |
34 |
|
[SO4]C:102 |
4 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
9 |
4 |
2803 |
49.3 |
-6.4 |
0.803 |
3 |
0 |
0 |
0.157 |
30 |
35 |
|
[SO4]A:103 |
4 |
1 |
187 |
◊ |
B |
x,y,z |
1_555 |
9 |
2 |
2722 |
48.6 |
-5.8 |
0.789 |
0 |
0 |
0 |
0.008 |
31 |
36 |
|
[SO4]A:102 |
4 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
6 |
3 |
2722 |
48.5 |
-5.8 |
0.621 |
2 |
0 |
0 |
0.000 |
32 |
37 |
|
[SO4]C:102 |
5 |
1 |
185 |
◊ |
B |
x-1,y,z |
1_455 |
6 |
2 |
2722 |
47.1 |
-5.3 |
0.858 |
3 |
0 |
0 |
0.125 |
33 |
38 |
|
[SO4]A:103 |
4 |
1 |
187 |
◊ |
A |
x,y,z |
1_555 |
6 |
1 |
2658 |
46.6 |
-5.7 |
0.830 |
3 |
0 |
0 |
0.085 |
34 |
39 |
|
[SO4]D:102 |
4 |
1 |
185 |
◊ |
C |
x-1,y,z-1 |
1_454 |
8 |
2 |
2803 |
46.0 |
-6.2 |
0.630 |
1 |
0 |
0 |
0.095 |
35 |
40 |
|
[CL]B:103 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
6 |
2 |
2722 |
45.4 |
-5.6 |
0.000 |
0 |
0 |
0 |
0.114 |
36 |
41 |
|
[SO4]D:102 |
4 |
1 |
185 |
◊ |
A |
x-1,y,z |
1_455 |
5 |
2 |
2658 |
42.4 |
-4.5 |
0.852 |
2 |
0 |
0 |
0.065 |
37 |
42 |
|
[SO4]C:102 |
3 |
1 |
185 |
◊ |
C |
-x,y-1/2,-z+1 |
2_546 |
5 |
2 |
2803 |
37.2 |
-4.3 |
0.821 |
2 |
0 |
0 |
0.000 |
38 |
43 |
|
[SO4]D:101 |
4 |
1 |
185 |
◊ |
C |
x-1,y,z-1 |
1_454 |
4 |
2 |
2803 |
36.0 |
-3.3 |
0.919 |
3 |
0 |
0 |
0.066 |
39 |
44 |
|
A |
5 |
2 |
2658 |
◊ |
C |
-x,y-1/2,-z+1 |
2_546 |
3 |
1 |
2803 |
35.7 |
0.6 |
0.536 |
0 |
0 |
0 |
0.000 |
40 |
45 |
|
[SO4]A:101 |
4 |
1 |
186 |
◊ |
B |
x,y,z |
1_555 |
3 |
2 |
2722 |
35.3 |
-2.5 |
0.934 |
0 |
0 |
0 |
0.000 |
41 |
46 |
|
B |
3 |
1 |
2722 |
◊ |
C |
-x,y-1/2,-z+1 |
2_546 |
3 |
2 |
2803 |
33.3 |
-0.5 |
0.392 |
0 |
0 |
0 |
0.000 |
42 |
47 |
|
D |
5 |
3 |
2747 |
◊ |
[CL]B:103 |
x-1,y,z-1 |
1_454 |
1 |
1 |
125 |
31.5 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.041 |
43 |
48 |
|
A |
4 |
2 |
2658 |
◊ |
[SO4]A:102 |
x-1,y,z |
1_455 |
3 |
1 |
184 |
31.4 |
-3.3 |
0.713 |
2 |
0 |
0 |
0.000 |
44 |
49 |
|
[SO4]C:102 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
6 |
2 |
2658 |
31.4 |
-4.0 |
0.638 |
0 |
0 |
0 |
0.000 |
45 |
50 |
|
[CL]C:103 |
1 |
1 |
125 |
◊ |
C |
x-1,y,z |
1_455 |
3 |
2 |
2803 |
30.6 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.000 |
46 |
51 |
|
D |
2 |
1 |
2747 |
◊ |
[CL]B:103 |
x-2,y,z-1 |
1_354 |
1 |
1 |
125 |
30.2 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.016 |
47 |
52 |
|
[SO4]D:101 |
4 |
1 |
185 |
◊ |
C |
x,y,z-1 |
1_554 |
1 |
1 |
2803 |
30.1 |
-2.1 |
0.973 |
1 |
0 |
0 |
0.017 |
48 |
53 |
|
D |
5 |
1 |
2747 |
◊ |
[SO4]A:102 |
x-1,y,z |
1_455 |
4 |
1 |
184 |
29.8 |
-3.6 |
0.801 |
2 |
0 |
0 |
0.054 |
49 |
54 |
|
C |
5 |
1 |
2803 |
◊ |
[SO4]B:102 |
x-1,y,z |
1_455 |
4 |
1 |
185 |
29.7 |
-3.4 |
0.779 |
1 |
0 |
0 |
0.073 |
50 |
55 |
|
B |
4 |
2 |
2722 |
◊ |
[SO4]B:102 |
x-1,y,z |
1_455 |
4 |
1 |
185 |
29.2 |
-3.5 |
0.683 |
1 |
0 |
0 |
0.000 |
51 |
56 |
|
[CL]C:103 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
7 |
2 |
2803 |
29.1 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.076 |
52 |
57 |
|
[SO4]D:101 |
4 |
1 |
185 |
◊ |
B |
x-1,y,z-1 |
1_454 |
3 |
1 |
2722 |
27.2 |
-1.9 |
0.917 |
1 |
0 |
0 |
0.029 |
53 |
58 |
|
D |
3 |
1 |
2747 |
◊ |
[CL]C:103 |
x,y,z-1 |
1_554 |
1 |
1 |
125 |
26.0 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.014 |
54 |
59 |
|
[SO4]B:101 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
2658 |
21.3 |
-1.8 |
0.888 |
0 |
0 |
0 |
0.000 |
55 |
60 |
|
[SO4]A:101 |
4 |
1 |
186 |
◊ |
B |
x-1,y,z |
1_455 |
1 |
1 |
2722 |
21.3 |
-1.6 |
0.933 |
0 |
0 |
0 |
0.000 |
56 |
61 |
|
D |
2 |
1 |
2747 |
◊ |
C |
-x,y-1/2,-z |
2_545 |
3 |
1 |
2803 |
20.5 |
0.7 |
0.805 |
0 |
0 |
0 |
0.000 |
57 |
62 |
|
[SO4]D:102 |
1 |
1 |
185 |
◊ |
D |
x-1,y,z |
1_455 |
2 |
1 |
2747 |
16.7 |
-2.2 |
0.464 |
0 |
0 |
0 |
0.000 |
58 |
63 |
|
A |
2 |
1 |
2658 |
◊ |
D |
-x-1,y-1/2,-z |
2_445 |
1 |
1 |
2747 |
9.3 |
-0.0 |
0.446 |
0 |
0 |
0 |
0.000 |
59 |
64 |
|
D |
1 |
1 |
2747 |
◊ |
B |
x-2,y,z-1 |
1_354 |
1 |
1 |
2722 |
7.4 |
0.2 |
0.531 |
0 |
0 |
0 |
0.000 |
60 |
65 |
|
A |
2 |
1 |
2658 |
◊ |
[SO4]A:103 |
-x,y-1/2,-z |
2_545 |
1 |
1 |
187 |
5.9 |
-0.7 |
0.649 |
0 |
0 |
0 |
0.000 |
61 |
66 |
|
[SO4]B:101 |
1 |
1 |
185 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
2803 |
1.3 |
-0.2 |
0.715 |
0 |
0 |
0 |
0.003 |
62 |
67 |
|
C |
1 |
1 |
2803 |
◊ |
[CL]B:103 |
x-1,y,z |
1_455 |
1 |
1 |
125 |
1.2 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.002 |
|