| ## |
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 |
|
A |
99 |
33 |
10099 |
◊ |
B |
-y+3/2,x-1/2,z+1/4 |
3_645 |
104 |
35 |
10025 |
946.9 |
-3.0 |
0.558 |
11 |
4 |
0 |
0.088 |
| 2 |
2 |
|
A |
76 |
19 |
10099 |
◊ |
A |
y,x,-z |
7_555 |
76 |
19 |
10099 |
714.1 |
-7.3 |
0.223 |
8 |
0 |
0 |
0.102 |
3 |
|
C |
83 |
20 |
10281 |
◊ |
B |
y,x,-z |
7_555 |
75 |
21 |
10025 |
711.7 |
-9.3 |
0.147 |
7 |
0 |
0 |
0.102 |
| Average: |
712.9 |
-8.3 |
0.185 |
8 |
0 |
0 |
0.102 |
| 3 |
4 |
|
B |
78 |
23 |
10025 |
◊ |
A |
x,y,z |
1_555 |
60 |
20 |
10099 |
634.5 |
-2.0 |
0.559 |
8 |
3 |
0 |
0.116 |
5 |
|
C |
53 |
18 |
10281 |
◊ |
A |
x,y,z |
1_555 |
73 |
22 |
10099 |
581.4 |
-2.5 |
0.501 |
5 |
4 |
0 |
0.116 |
6 |
|
C |
71 |
22 |
10281 |
◊ |
B |
x,y,z |
1_555 |
51 |
18 |
10025 |
565.6 |
-1.3 |
0.618 |
8 |
3 |
0 |
0.116 |
| Average: |
593.8 |
-1.9 |
0.559 |
7 |
3 |
0 |
0.116 |
| 4 |
7 |
|
C |
47 |
17 |
10281 |
◊ |
C |
y,x,-z |
7_555 |
47 |
17 |
10281 |
447.8 |
-6.5 |
0.137 |
2 |
0 |
0 |
0.059 |
8 |
|
B |
42 |
16 |
10025 |
◊ |
A |
y,x,-z |
7_555 |
45 |
17 |
10099 |
387.6 |
-5.8 |
0.130 |
2 |
0 |
0 |
0.059 |
| Average: |
417.7 |
-6.1 |
0.134 |
2 |
0 |
0 |
0.059 |
| 5 |
9 |
|
C |
33 |
10 |
10281 |
◊ |
C |
-y+2,-x+2,-z+1/2 |
8_775 |
33 |
10 |
10281 |
284.2 |
0.4 |
0.702 |
4 |
0 |
0 |
0.000 |
| 6 |
10 |
|
C |
37 |
14 |
10281 |
◊ |
A |
-y+2,-x+2,-z+1/2 |
8_775 |
35 |
11 |
10099 |
275.8 |
-1.3 |
0.495 |
2 |
0 |
0 |
0.000 |
| 7 |
11 |
|
[BME]A:400 |
4 |
1 |
208 |
f |
A |
x,y,z |
1_555 |
17 |
11 |
10099 |
115.3 |
-0.0 |
0.453 |
3 |
0 |
0 |
0.028 |
12 |
|
[BME]C:400 |
4 |
1 |
206 |
f |
C |
x,y,z |
1_555 |
16 |
11 |
10281 |
113.6 |
-0.1 |
0.461 |
3 |
0 |
0 |
0.028 |
13 |
|
[BME]B:400 |
4 |
1 |
208 |
f |
B |
x,y,z |
1_555 |
14 |
11 |
10025 |
113.3 |
0.0 |
0.455 |
3 |
0 |
0 |
0.028 |
| Average: |
114.1 |
-0.0 |
0.456 |
3 |
0 |
0 |
0.028 |
| 8 |
14 |
|
[BME]C:401 |
4 |
1 |
204 |
◊ |
C |
x,y,z |
1_555 |
14 |
8 |
10281 |
105.5 |
-0.5 |
0.385 |
1 |
0 |
0 |
0.017 |
15 |
|
[BME]B:401 |
4 |
1 |
205 |
◊ |
B |
x,y,z |
1_555 |
13 |
7 |
10025 |
104.9 |
-0.5 |
0.358 |
1 |
0 |
0 |
0.017 |
16 |
|
[BME]A:401 |
4 |
1 |
204 |
◊ |
A |
x,y,z |
1_555 |
13 |
7 |
10099 |
102.1 |
-0.5 |
0.355 |
1 |
0 |
0 |
0.017 |
| Average: |
104.2 |
-0.5 |
0.366 |
1 |
0 |
0 |
0.017 |
| 9 |
17 |
|
[SO4]B:503 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
15 |
7 |
10025 |
102.5 |
-15.3 |
0.808 |
4 |
0 |
0 |
0.175 |
| 10 |
18 |
|
[SO4]A:501 |
5 |
1 |
187 |
f |
A |
x,y,z |
1_555 |
15 |
6 |
10099 |
101.0 |
-15.3 |
0.789 |
5 |
0 |
0 |
0.241 |
19 |
|
[SO4]C:504 |
5 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
15 |
6 |
10281 |
100.2 |
-15.0 |
0.809 |
5 |
0 |
0 |
0.241 |
| Average: |
100.6 |
-15.1 |
0.799 |
5 |
0 |
0 |
0.241 |
| 11 |
20 |
|
[SO4]A:505 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
11 |
5 |
10099 |
72.9 |
-10.2 |
0.712 |
2 |
0 |
0 |
0.115 |
| 12 |
21 |
|
[SO4]B:506 |
4 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
9 |
5 |
10025 |
72.0 |
-9.3 |
0.919 |
4 |
0 |
0 |
0.114 |
| 13 |
22 |
|
[SO4]C:508 |
5 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
12 |
5 |
10281 |
71.9 |
-10.0 |
0.747 |
2 |
0 |
0 |
0.076 |
| 14 |
23 |
|
[SO4]B:507 |
4 |
1 |
187 |
f |
B |
x,y,z |
1_555 |
9 |
4 |
10025 |
61.1 |
-8.4 |
0.735 |
1 |
0 |
0 |
0.091 |
| 15 |
24 |
|
[SO4]A:502 |
4 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
7 |
4 |
10025 |
55.2 |
-7.1 |
0.790 |
1 |
0 |
0 |
0.078 |
| 16 |
25 |
|
[SO4]A:502 |
4 |
1 |
186 |
◊ |
A |
x,y,z |
1_555 |
7 |
4 |
10099 |
54.3 |
-7.0 |
0.789 |
1 |
0 |
0 |
0.052 |
| 17 |
26 |
|
[SO4]A:502 |
4 |
1 |
186 |
◊ |
C |
x,y,z |
1_555 |
7 |
4 |
10281 |
54.0 |
-6.8 |
0.808 |
1 |
0 |
0 |
0.051 |
| 18 |
27 |
|
[BME]A:401 |
3 |
1 |
204 |
f |
B |
y,x,-z |
7_555 |
9 |
3 |
10025 |
43.7 |
-1.4 |
0.388 |
0 |
0 |
0 |
0.027 |
28 |
|
[BME]B:401 |
3 |
1 |
205 |
f |
A |
y,x,-z |
7_555 |
9 |
3 |
10099 |
39.3 |
-1.3 |
0.396 |
0 |
0 |
0 |
0.027 |
29 |
|
[BME]C:401 |
3 |
1 |
204 |
f |
C |
y,x,-z |
7_555 |
7 |
2 |
10281 |
37.3 |
-1.3 |
0.385 |
0 |
0 |
0 |
0.027 |
| Average: |
40.1 |
-1.3 |
0.390 |
0 |
0 |
0 |
0.027 |
| 19 |
30 |
|
A |
3 |
2 |
10099 |
◊ |
[SO4]B:506 |
-y+3/2,x-1/2,z+1/4 |
3_645 |
4 |
1 |
186 |
41.9 |
-4.2 |
0.939 |
1 |
0 |
0 |
0.047 |
| 20 |
31 |
|
A |
3 |
1 |
10099 |
◊ |
C |
-x+3/2,y-1/2,-z+1/4 |
5_645 |
3 |
1 |
10281 |
31.2 |
-0.1 |
0.421 |
0 |
0 |
0 |
0.000 |
| 21 |
32 |
|
[SO4]A:505 |
4 |
1 |
186 |
◊ |
B |
-y+3/2,x-1/2,z+1/4 |
3_645 |
3 |
2 |
10025 |
28.7 |
-2.3 |
0.965 |
1 |
0 |
0 |
0.028 |
| 22 |
33 |
|
[SO4]A:505 |
2 |
1 |
186 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
10025 |
10.4 |
-1.4 |
0.685 |
0 |
0 |
0 |
0.010 |
| 23 |
34 |
|
[SO4]A:501 |
1 |
1 |
187 |
◊ |
B |
-y+3/2,x-1/2,z+1/4 |
3_645 |
3 |
1 |
10025 |
8.5 |
-0.9 |
0.749 |
0 |
0 |
0 |
0.010 |
| 24 |
35 |
|
[SO4]B:506 |
2 |
1 |
186 |
f |
[SO4]B:503 |
x,y,z |
1_555 |
2 |
1 |
186 |
7.7 |
-1.8 |
0.960 |
0 |
0 |
0 |
0.019 |
|