| ## |
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 |
100 |
28 |
12382 |
◊ |
A |
x,y,z |
1_555 |
114 |
30 |
12235 |
1078.2 |
-7.8 |
0.259 |
13 |
11 |
0 |
0.261 |
2 |
|
F |
103 |
29 |
12306 |
◊ |
D |
x,y,z |
1_555 |
115 |
30 |
12291 |
1077.5 |
-8.1 |
0.226 |
12 |
11 |
0 |
0.261 |
3 |
|
F |
118 |
30 |
12306 |
◊ |
E |
x,y,z |
1_555 |
100 |
29 |
13169 |
1075.5 |
-6.0 |
0.336 |
12 |
12 |
0 |
0.261 |
4 |
|
E |
115 |
30 |
13169 |
◊ |
D |
x,y,z |
1_555 |
98 |
29 |
12291 |
1063.6 |
-9.3 |
0.170 |
11 |
11 |
0 |
0.261 |
5 |
|
C |
100 |
30 |
12769 |
◊ |
B |
x,y,z |
1_555 |
113 |
30 |
12382 |
1055.5 |
-8.5 |
0.188 |
13 |
10 |
0 |
0.261 |
6 |
|
C |
111 |
30 |
12769 |
◊ |
A |
x,y,z |
1_555 |
92 |
26 |
12235 |
1041.5 |
-8.7 |
0.175 |
9 |
10 |
0 |
0.261 |
| Average: |
1065.3 |
-8.1 |
0.226 |
12 |
11 |
0 |
0.261 |
| 2 |
7 |
|
B |
33 |
10 |
12382 |
◊ |
C |
x-1,y,z |
1_455 |
34 |
12 |
12769 |
335.7 |
-0.9 |
0.520 |
2 |
1 |
0 |
0.000 |
| 3 |
8 |
|
F |
40 |
11 |
12306 |
◊ |
C |
x,y,z |
1_555 |
46 |
12 |
12769 |
317.9 |
1.6 |
0.742 |
2 |
0 |
0 |
0.000 |
9 |
|
E |
39 |
11 |
13169 |
◊ |
B |
x,y,z |
1_555 |
38 |
11 |
12382 |
306.7 |
0.1 |
0.623 |
2 |
0 |
0 |
0.000 |
10 |
|
D |
43 |
11 |
12291 |
◊ |
A |
x,y,z |
1_555 |
39 |
11 |
12235 |
289.1 |
0.3 |
0.685 |
2 |
0 |
0 |
0.000 |
| Average: |
304.5 |
0.6 |
0.683 |
2 |
0 |
0 |
0.000 |
| 4 |
11 |
|
A |
30 |
11 |
12235 |
◊ |
F |
-x-1,y-1/2,-z-1/2 |
3_444 |
33 |
12 |
12306 |
270.7 |
2.0 |
0.765 |
5 |
0 |
0 |
0.000 |
| 5 |
12 |
|
C |
36 |
11 |
12769 |
◊ |
E |
-x-3/2,-y+1,z-1/2 |
2_364 |
27 |
9 |
13169 |
260.8 |
1.2 |
0.723 |
4 |
3 |
0 |
0.000 |
| 6 |
13 |
|
A |
27 |
9 |
12235 |
◊ |
E |
-x-3/2,-y+1,z-1/2 |
2_364 |
22 |
8 |
13169 |
216.9 |
-2.5 |
0.272 |
2 |
0 |
0 |
0.000 |
| 7 |
14 |
|
D |
21 |
10 |
12291 |
◊ |
C |
-x-1,y-1/2,-z-1/2 |
3_444 |
21 |
7 |
12769 |
198.0 |
0.0 |
0.411 |
2 |
2 |
0 |
0.000 |
| 8 |
15 |
|
D |
16 |
6 |
12291 |
◊ |
B |
-x-2,y-1/2,-z-1/2 |
3_344 |
22 |
11 |
12382 |
171.9 |
1.1 |
0.702 |
1 |
0 |
0 |
0.000 |
| 9 |
16 |
|
D |
13 |
5 |
12291 |
◊ |
F |
-x-1,y-1/2,-z-1/2 |
3_444 |
14 |
5 |
12306 |
118.9 |
-0.2 |
0.495 |
0 |
0 |
0 |
0.000 |
| 10 |
17 |
|
[SO4]E:800 |
5 |
1 |
185 |
f |
E |
x,y,z |
1_555 |
18 |
7 |
13169 |
103.2 |
-16.1 |
0.733 |
5 |
0 |
0 |
0.108 |
| 11 |
18 |
|
[SO4]C:800 |
5 |
1 |
190 |
f |
C |
x,y,z |
1_555 |
19 |
5 |
12769 |
101.6 |
-16.0 |
0.696 |
5 |
0 |
0 |
0.087 |
| 12 |
19 |
|
[SO4]B:800 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
18 |
6 |
12382 |
100.5 |
-15.4 |
0.718 |
5 |
0 |
0 |
0.084 |
| 13 |
20 |
|
[SO4]D:800 |
5 |
1 |
184 |
f |
D |
x,y,z |
1_555 |
16 |
6 |
12291 |
100.3 |
-16.1 |
0.704 |
6 |
0 |
0 |
0.111 |
| 14 |
21 |
|
[SO4]F:800 |
5 |
1 |
185 |
f |
F |
x,y,z |
1_555 |
15 |
6 |
12306 |
98.7 |
-16.0 |
0.681 |
4 |
0 |
0 |
0.105 |
| 15 |
22 |
|
[SO4]A:800 |
5 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
15 |
7 |
12235 |
97.1 |
-15.6 |
0.689 |
3 |
0 |
0 |
0.081 |
| 16 |
23 |
|
[SO4]A:801 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
9 |
5 |
12235 |
87.0 |
-14.1 |
0.508 |
2 |
0 |
0 |
0.072 |
| 17 |
24 |
|
[SO4]E:801 |
5 |
1 |
186 |
f |
E |
x,y,z |
1_555 |
12 |
5 |
13169 |
86.1 |
-13.6 |
0.608 |
3 |
0 |
0 |
0.088 |
| 18 |
25 |
|
[SO4]D:801 |
5 |
1 |
184 |
f |
D |
x,y,z |
1_555 |
11 |
5 |
12291 |
84.8 |
-13.4 |
0.547 |
4 |
0 |
0 |
0.176 |
26 |
|
[SO4]F:801 |
5 |
1 |
186 |
f |
F |
x,y,z |
1_555 |
11 |
5 |
12306 |
83.8 |
-13.2 |
0.569 |
3 |
0 |
0 |
0.176 |
| Average: |
84.3 |
-13.3 |
0.558 |
4 |
0 |
0 |
0.176 |
| 19 |
27 |
|
[SO4]C:801 |
5 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
10 |
5 |
12769 |
82.3 |
-12.8 |
0.521 |
4 |
0 |
0 |
0.070 |
| 20 |
28 |
|
[SO4]B:801 |
5 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
10 |
5 |
12382 |
80.5 |
-12.4 |
0.588 |
3 |
0 |
0 |
0.066 |
| 21 |
29 |
|
[SO4]C:805 |
5 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
10 |
5 |
12769 |
77.8 |
-11.1 |
0.678 |
1 |
0 |
0 |
0.055 |
| 22 |
30 |
|
[SO4]F:804 |
5 |
1 |
185 |
◊ |
E |
x,y,z |
1_555 |
10 |
3 |
13169 |
62.8 |
-6.4 |
0.901 |
2 |
0 |
0 |
0.043 |
| 23 |
31 |
|
[SO4]F:804 |
4 |
1 |
185 |
f |
F |
x,y,z |
1_555 |
10 |
3 |
12306 |
60.4 |
-6.5 |
0.909 |
2 |
0 |
0 |
0.044 |
| 24 |
32 |
|
[SO4]B:803 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
10 |
3 |
12382 |
60.3 |
-6.4 |
0.921 |
2 |
0 |
0 |
0.035 |
| 25 |
33 |
|
[SO4]F:804 |
4 |
1 |
185 |
◊ |
D |
x,y,z |
1_555 |
7 |
3 |
12291 |
56.9 |
-5.9 |
0.910 |
2 |
0 |
0 |
0.040 |
| 26 |
34 |
|
[SO4]B:803 |
4 |
1 |
185 |
◊ |
C |
x,y,z |
1_555 |
11 |
4 |
12769 |
55.8 |
-5.8 |
0.912 |
2 |
0 |
0 |
0.032 |
| 27 |
35 |
|
[SO4]B:802 |
4 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
7 |
3 |
12382 |
53.7 |
-6.7 |
0.772 |
0 |
0 |
0 |
0.032 |
| 28 |
36 |
|
[SO4]B:803 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
8 |
3 |
12235 |
53.4 |
-5.3 |
0.934 |
2 |
0 |
0 |
0.030 |
| 29 |
37 |
|
[SO4]B:802 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
8 |
3 |
12235 |
53.4 |
-6.8 |
0.771 |
0 |
0 |
0 |
0.033 |
| 30 |
38 |
|
[SO4]B:802 |
4 |
1 |
184 |
◊ |
C |
x,y,z |
1_555 |
7 |
3 |
12769 |
49.5 |
-6.4 |
0.794 |
0 |
0 |
0 |
0.031 |
| 31 |
39 |
|
[SO4]C:805 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
6 |
3 |
12235 |
45.9 |
-5.0 |
0.935 |
1 |
0 |
0 |
0.026 |
| 32 |
40 |
|
[SO4]C:805 |
3 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
3 |
2 |
12382 |
36.1 |
-3.8 |
0.953 |
1 |
0 |
0 |
0.020 |
| 33 |
41 |
|
[SO4]C:801 |
4 |
1 |
185 |
◊ |
E |
-x-3/2,-y+1,z-1/2 |
2_364 |
5 |
2 |
13169 |
33.3 |
-3.5 |
0.933 |
2 |
0 |
0 |
0.000 |
| 34 |
42 |
|
B |
5 |
1 |
12382 |
◊ |
F |
x-1,y,z |
1_455 |
6 |
1 |
12306 |
32.9 |
0.8 |
0.684 |
0 |
0 |
0 |
0.000 |
| 35 |
43 |
|
E |
3 |
1 |
13169 |
◊ |
C |
x,y,z |
1_555 |
3 |
1 |
12769 |
31.9 |
0.8 |
0.852 |
1 |
0 |
0 |
0.000 |
| 36 |
44 |
|
C |
3 |
1 |
12769 |
◊ |
[SO4]E:801 |
-x-3/2,-y+1,z-1/2 |
2_364 |
2 |
1 |
186 |
23.2 |
-3.3 |
0.490 |
0 |
0 |
0 |
0.000 |
| 37 |
45 |
|
[SO4]D:800 |
2 |
1 |
184 |
◊ |
F |
x,y,z |
1_555 |
2 |
2 |
12306 |
19.5 |
-2.1 |
0.893 |
0 |
0 |
0 |
0.012 |
| 38 |
46 |
|
[SO4]B:800 |
2 |
1 |
185 |
◊ |
C |
x,y,z |
1_555 |
3 |
2 |
12769 |
16.2 |
-1.7 |
0.866 |
0 |
0 |
0 |
0.008 |
| 39 |
47 |
|
[SO4]C:800 |
3 |
1 |
190 |
◊ |
A |
x,y,z |
1_555 |
7 |
3 |
12235 |
15.7 |
-2.0 |
0.752 |
0 |
0 |
0 |
0.009 |
| 40 |
48 |
|
[SO4]F:800 |
2 |
1 |
185 |
◊ |
E |
x,y,z |
1_555 |
2 |
2 |
13169 |
13.8 |
-1.4 |
0.890 |
0 |
0 |
0 |
0.008 |
| 41 |
49 |
|
[SO4]A:800 |
2 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
5 |
3 |
12382 |
12.5 |
-1.4 |
0.765 |
0 |
0 |
0 |
0.007 |
| 42 |
50 |
|
[SO4]B:803 |
3 |
1 |
185 |
◊ |
[SO4]B:802 |
x,y,z |
1_555 |
3 |
1 |
184 |
6.3 |
-1.1 |
0.992 |
0 |
0 |
0 |
0.005 |
| 43 |
51 |
|
[SO4]E:800 |
2 |
1 |
185 |
◊ |
D |
x,y,z |
1_555 |
3 |
1 |
12291 |
3.6 |
-0.5 |
0.743 |
0 |
0 |
0 |
0.003 |
|