| ## |
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 |
197 |
53 |
11100 |
◊ |
B |
x,y,z |
1_555 |
204 |
53 |
11042 |
2037.4 |
-32.3 |
0.003 |
12 |
3 |
0 |
0.203 |
2 |
|
D |
207 |
52 |
10657 |
◊ |
A |
x,y,z |
1_555 |
208 |
58 |
10842 |
2032.0 |
-31.6 |
0.009 |
13 |
6 |
0 |
0.203 |
| Average: |
2034.7 |
-31.9 |
0.006 |
13 |
5 |
0 |
0.203 |
| 2 |
3 |
|
D |
132 |
31 |
10657 |
◊ |
C |
x,y,z |
1_555 |
136 |
35 |
11100 |
1245.7 |
-14.0 |
0.126 |
7 |
1 |
0 |
0.081 |
4 |
|
B |
131 |
31 |
11042 |
◊ |
A |
x,y,z |
1_555 |
128 |
32 |
10842 |
1139.9 |
-11.3 |
0.195 |
7 |
1 |
0 |
0.081 |
| Average: |
1192.8 |
-12.7 |
0.161 |
7 |
1 |
0 |
0.081 |
| 3 |
5 |
|
B |
73 |
19 |
11042 |
◊ |
B |
x-y,-y,-z+4/3 |
5_556 |
73 |
19 |
11042 |
684.6 |
-6.6 |
0.256 |
6 |
0 |
0 |
0.001 |
| 4 |
6 |
|
D |
59 |
15 |
10657 |
◊ |
C |
y-1,x,-z+1 |
4_456 |
60 |
17 |
11100 |
501.4 |
-4.6 |
0.338 |
4 |
0 |
0 |
0.014 |
| 5 |
7 |
|
D |
26 |
9 |
10657 |
◊ |
B |
-y-1,x-y,z-1/3 |
2_454 |
27 |
10 |
11042 |
239.0 |
-1.0 |
0.489 |
3 |
0 |
0 |
0.000 |
| 6 |
8 |
|
[SO4]D:531 |
5 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
18 |
7 |
10657 |
118.6 |
-16.6 |
0.776 |
3 |
0 |
0 |
0.084 |
| 7 |
9 |
|
[SO4]A:518 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
16 |
7 |
10842 |
116.1 |
-15.6 |
0.804 |
6 |
0 |
0 |
0.078 |
| 8 |
10 |
|
[SO4]B:519 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
17 |
6 |
11042 |
115.7 |
-16.7 |
0.760 |
5 |
0 |
0 |
0.101 |
| 9 |
11 |
|
[SO4]C:525 |
5 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
15 |
6 |
11100 |
114.3 |
-16.1 |
0.782 |
4 |
0 |
0 |
0.096 |
| 10 |
12 |
|
[SO4]A:517 |
5 |
1 |
187 |
f |
A |
x,y,z |
1_555 |
18 |
9 |
10842 |
107.7 |
-16.9 |
0.716 |
8 |
0 |
0 |
0.088 |
| 11 |
13 |
|
[SO4]D:528 |
5 |
1 |
186 |
f |
D |
x,y,z |
1_555 |
18 |
9 |
10657 |
107.0 |
-16.6 |
0.696 |
8 |
0 |
0 |
0.094 |
| 12 |
14 |
|
[SO4]C:524 |
5 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
19 |
8 |
11100 |
102.7 |
-14.4 |
0.814 |
3 |
0 |
0 |
0.084 |
| 13 |
15 |
|
[SO4]B:516 |
5 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
19 |
9 |
11042 |
101.1 |
-14.1 |
0.791 |
3 |
0 |
0 |
0.083 |
| 14 |
16 |
|
[SO4]C:522 |
5 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
10 |
4 |
11100 |
99.7 |
-14.9 |
0.920 |
7 |
0 |
0 |
0.096 |
| 15 |
17 |
|
[SO4]D:510 |
5 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
13 |
4 |
10657 |
99.0 |
-13.6 |
0.927 |
7 |
0 |
0 |
0.078 |
| 16 |
18 |
|
[SO4]B:512 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
14 |
5 |
11042 |
98.5 |
-14.0 |
0.915 |
7 |
0 |
0 |
0.091 |
| 17 |
19 |
|
[SO4]A:513 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
13 |
4 |
10842 |
95.0 |
-14.5 |
0.852 |
6 |
0 |
0 |
0.074 |
| 18 |
20 |
|
A |
12 |
3 |
10842 |
◊ |
C |
y-1,x,-z+1 |
4_456 |
11 |
5 |
11100 |
90.1 |
1.1 |
0.764 |
0 |
0 |
0 |
0.000 |
| 19 |
21 |
|
[SO4]A:514 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
13 |
5 |
10842 |
84.1 |
-11.8 |
0.831 |
6 |
0 |
0 |
0.062 |
| 20 |
22 |
|
[SO4]D:529 |
5 |
1 |
186 |
f |
D |
x,y,z |
1_555 |
12 |
5 |
10657 |
83.4 |
-10.7 |
0.859 |
4 |
0 |
0 |
0.058 |
| 21 |
23 |
|
[SO4]B:520 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
13 |
4 |
11042 |
83.4 |
-10.9 |
0.869 |
3 |
0 |
0 |
0.065 |
| 22 |
24 |
|
[SO4]D:527 |
5 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
12 |
5 |
10657 |
81.7 |
-12.2 |
0.813 |
4 |
0 |
0 |
0.065 |
| 23 |
25 |
|
[SO4]C:526 |
5 |
1 |
187 |
f |
C |
x,y,z |
1_555 |
13 |
5 |
11100 |
79.1 |
-11.0 |
0.826 |
5 |
0 |
0 |
0.070 |
| 24 |
26 |
|
D |
9 |
3 |
10657 |
◊ |
B |
y-1,x,-z+1 |
4_456 |
7 |
2 |
11042 |
78.4 |
1.3 |
0.819 |
0 |
0 |
0 |
0.000 |
| 25 |
27 |
|
[SO4]A:521 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
11 |
4 |
10842 |
74.3 |
-9.9 |
0.854 |
3 |
0 |
0 |
0.048 |
| 26 |
28 |
|
[SO4]D:509 |
5 |
1 |
186 |
f |
D |
x,y,z |
1_555 |
7 |
3 |
10657 |
72.6 |
-9.4 |
0.889 |
3 |
0 |
0 |
0.051 |
| 27 |
29 |
|
[SO4]C:523 |
5 |
1 |
187 |
f |
C |
x,y,z |
1_555 |
7 |
3 |
11100 |
72.4 |
-9.1 |
0.903 |
3 |
0 |
0 |
0.056 |
| 28 |
30 |
|
C |
7 |
4 |
11100 |
◊ |
A |
x,y,z |
1_555 |
8 |
4 |
10842 |
70.5 |
2.0 |
0.887 |
2 |
4 |
0 |
0.000 |
31 |
|
D |
7 |
4 |
10657 |
◊ |
B |
x,y,z |
1_555 |
8 |
4 |
11042 |
66.4 |
2.1 |
0.897 |
2 |
4 |
0 |
0.000 |
| Average: |
68.5 |
2.1 |
0.892 |
2 |
4 |
0 |
0.000 |
| 29 |
32 |
|
[SO4]B:511 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
7 |
3 |
11042 |
70.4 |
-9.1 |
0.898 |
2 |
0 |
0 |
0.053 |
| 30 |
33 |
|
[SO4]A:515 |
5 |
1 |
187 |
f |
A |
x,y,z |
1_555 |
8 |
4 |
10842 |
70.2 |
-9.4 |
0.929 |
4 |
0 |
0 |
0.048 |
| 31 |
34 |
|
[SO4]C:523 |
5 |
1 |
187 |
◊ |
D |
x,y,z |
1_555 |
11 |
4 |
10657 |
65.1 |
-9.1 |
0.598 |
1 |
0 |
0 |
0.045 |
| 32 |
35 |
|
[SO4]D:509 |
5 |
1 |
186 |
◊ |
C |
x,y,z |
1_555 |
10 |
4 |
11100 |
64.7 |
-9.3 |
0.554 |
1 |
0 |
0 |
0.046 |
| 33 |
36 |
|
[SO4]A:515 |
5 |
1 |
187 |
◊ |
B |
x,y,z |
1_555 |
11 |
4 |
11042 |
64.5 |
-9.5 |
0.573 |
2 |
0 |
0 |
0.044 |
| 34 |
37 |
|
[SO4]B:511 |
5 |
1 |
186 |
◊ |
A |
x,y,z |
1_555 |
9 |
4 |
10842 |
64.4 |
-9.3 |
0.565 |
1 |
0 |
0 |
0.042 |
| 35 |
38 |
|
A |
4 |
2 |
10842 |
◊ |
[SO4]C:526 |
y-1,x,-z+1 |
4_456 |
4 |
1 |
187 |
49.4 |
-4.5 |
0.968 |
2 |
0 |
0 |
0.012 |
| 36 |
39 |
|
[SO4]A:521 |
4 |
1 |
186 |
◊ |
B |
x,y,z |
1_555 |
7 |
3 |
11042 |
49.3 |
-6.9 |
0.611 |
0 |
0 |
0 |
0.030 |
| 37 |
40 |
|
[SO4]B:516 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
5 |
2 |
10842 |
44.2 |
-5.6 |
0.733 |
1 |
0 |
0 |
0.026 |
| 38 |
41 |
|
[SO4]D:529 |
4 |
1 |
186 |
◊ |
B |
y-1,x,-z+1 |
4_456 |
2 |
1 |
11042 |
38.5 |
-3.3 |
0.976 |
3 |
0 |
0 |
0.010 |
| 39 |
42 |
|
[SO4]A:530 |
4 |
1 |
186 |
◊ |
D |
x,y,z |
1_555 |
4 |
1 |
10657 |
36.6 |
-3.3 |
0.944 |
2 |
0 |
0 |
0.018 |
| 40 |
43 |
|
[SO4]A:530 |
3 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
4 |
1 |
10842 |
36.0 |
-3.9 |
0.887 |
1 |
0 |
0 |
0.019 |
| 41 |
44 |
|
[SO4]A:530 |
4 |
1 |
186 |
◊ |
C |
x,y,z |
1_555 |
4 |
1 |
11100 |
33.8 |
-3.6 |
0.820 |
0 |
0 |
0 |
0.007 |
| 42 |
45 |
|
[SO4]A:521 |
4 |
1 |
186 |
f |
[SO4]A:513 |
x,y,z |
1_555 |
4 |
1 |
185 |
33.6 |
-7.6 |
0.998 |
0 |
0 |
0 |
0.033 |
| 43 |
46 |
|
[SO4]C:524 |
3 |
1 |
185 |
◊ |
D |
x,y,z |
1_555 |
6 |
2 |
10657 |
33.4 |
-4.2 |
0.813 |
1 |
0 |
0 |
0.022 |
| 44 |
47 |
|
[SO4]A:530 |
3 |
1 |
186 |
◊ |
B |
x,y,z |
1_555 |
4 |
1 |
11042 |
29.4 |
-3.4 |
0.851 |
1 |
0 |
0 |
0.016 |
| 45 |
48 |
|
[SO4]D:527 |
3 |
1 |
185 |
◊ |
C |
x,y,z |
1_555 |
5 |
2 |
11100 |
29.3 |
-3.6 |
0.794 |
1 |
0 |
0 |
0.019 |
| 46 |
49 |
|
[SO4]A:514 |
3 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
11042 |
23.4 |
-2.9 |
0.755 |
0 |
0 |
0 |
0.012 |
| 47 |
50 |
|
C |
2 |
2 |
11100 |
◊ |
B |
x-y,-y,-z+4/3 |
5_556 |
3 |
2 |
11042 |
22.1 |
0.5 |
0.529 |
0 |
0 |
0 |
0.000 |
| 48 |
51 |
|
C |
3 |
1 |
11100 |
◊ |
A |
-y-1,x-y,z-1/3 |
2_454 |
2 |
1 |
10842 |
17.7 |
0.5 |
0.802 |
0 |
0 |
0 |
0.000 |
| 49 |
52 |
|
[SO4]D:531 |
3 |
1 |
185 |
◊ |
B |
-y-1,x-y,z-1/3 |
2_454 |
2 |
1 |
11042 |
7.0 |
-0.9 |
0.660 |
0 |
0 |
0 |
0.000 |
| 50 |
53 |
|
[SO4]D:510 |
1 |
1 |
185 |
f |
[SO4]D:509 |
x,y,z |
1_555 |
1 |
1 |
186 |
2.5 |
-0.6 |
1.000 |
0 |
0 |
0 |
0.003 |
| 51 |
54 |
|
[SO4]A:515 |
1 |
1 |
187 |
f |
[SO4]A:513 |
x,y,z |
1_555 |
1 |
1 |
185 |
1.8 |
-0.4 |
1.000 |
0 |
0 |
0 |
0.002 |
| 52 |
55 |
|
[SO4]C:523 |
1 |
1 |
187 |
f |
[SO4]C:522 |
x,y,z |
1_555 |
1 |
1 |
186 |
0.5 |
-0.1 |
1.000 |
0 |
0 |
0 |
0.000 |
|