## |
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 |
106 |
29 |
5782 |
◊ |
A |
-x,-y-1,z |
4_545 |
105 |
29 |
5782 |
952.3 |
-5.4 |
0.432 |
19 |
14 |
0 |
0.361 |
2 |
|
C |
100 |
26 |
5312 |
◊ |
B |
x,y,z |
1_555 |
97 |
26 |
5052 |
877.9 |
-8.0 |
0.148 |
16 |
13 |
0 |
0.361 |
Average: |
915.1 |
-6.7 |
0.290 |
18 |
14 |
0 |
0.361 |
2 |
3 |
|
B |
32 |
10 |
5052 |
◊ |
A |
x,y,z |
1_555 |
42 |
12 |
5782 |
348.8 |
2.6 |
0.793 |
1 |
2 |
0 |
0.000 |
4 |
|
C |
37 |
11 |
5312 |
◊ |
C |
-y+1,-x+1,-z-1/3 |
10_664 |
37 |
11 |
5312 |
299.6 |
1.1 |
0.643 |
0 |
0 |
0 |
0.000 |
Average: |
324.2 |
1.9 |
0.718 |
1 |
1 |
0 |
0.000 |
3 |
5 |
|
B |
35 |
11 |
5052 |
◊ |
A |
-x+y+1,y,-z |
11_655 |
37 |
12 |
5782 |
314.0 |
-1.7 |
0.435 |
0 |
0 |
0 |
0.030 |
4 |
6 |
|
A |
24 |
6 |
5782 |
◊ |
C |
y,x-1,-z-1/3 |
7_544 |
28 |
8 |
5312 |
236.9 |
-2.3 |
0.326 |
1 |
1 |
0 |
0.000 |
7 |
|
B |
20 |
6 |
5052 |
◊ |
A |
-y,-x,-z-1/3 |
10_554 |
27 |
7 |
5782 |
205.8 |
-1.4 |
0.425 |
2 |
1 |
0 |
0.000 |
Average: |
221.3 |
-1.9 |
0.375 |
2 |
1 |
0 |
0.000 |
5 |
8 |
|
A |
18 |
6 |
5782 |
◊ |
A |
-x+y+1,y,-z |
11_655 |
18 |
6 |
5782 |
224.3 |
-1.4 |
0.427 |
0 |
0 |
0 |
0.012 |
6 |
9 |
|
C |
20 |
6 |
5312 |
◊ |
B |
-x+1,-y,z |
4_655 |
27 |
5 |
5052 |
209.9 |
-2.2 |
0.294 |
2 |
3 |
0 |
0.000 |
7 |
10 |
|
C |
21 |
6 |
5312 |
◊ |
A |
-x+1,-y,z |
4_655 |
18 |
4 |
5782 |
187.4 |
4.2 |
0.919 |
4 |
12 |
0 |
0.000 |
8 |
11 |
|
[BME]A:403 |
4 |
1 |
207 |
f |
A |
x,y,z |
1_555 |
15 |
6 |
5782 |
102.6 |
-1.5 |
0.356 |
5 |
0 |
0 |
0.115 |
9 |
12 |
|
[SO4]A:401 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
13 |
5 |
5782 |
91.2 |
-13.5 |
0.854 |
7 |
0 |
0 |
0.519 |
10 |
13 |
|
[SO4]C:401 |
5 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
11 |
5 |
5312 |
89.2 |
-13.3 |
0.814 |
8 |
0 |
0 |
0.694 |
11 |
14 |
|
[SO4]B:401 |
5 |
1 |
187 |
f |
B |
x,y,z |
1_555 |
11 |
5 |
5052 |
78.0 |
-10.8 |
0.851 |
6 |
0 |
0 |
0.284 |
12 |
15 |
|
[SO4]B:401 |
4 |
1 |
187 |
◊ |
A |
x,y,z |
1_555 |
8 |
5 |
5782 |
66.1 |
-7.4 |
0.884 |
5 |
0 |
0 |
0.179 |
13 |
16 |
|
[MN]A:402 |
1 |
1 |
123 |
f |
A |
x,y,z |
1_555 |
10 |
4 |
5782 |
51.2 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.112 |
14 |
17 |
|
[SO4]C:401 |
4 |
1 |
186 |
◊ |
C |
-y+1,-x+1,-z-1/3 |
10_664 |
9 |
5 |
5312 |
47.5 |
-4.5 |
0.873 |
3 |
0 |
0 |
0.240 |
15 |
18 |
|
[SO4]A:401 |
4 |
1 |
186 |
◊ |
B |
x,y,z |
1_555 |
4 |
2 |
5052 |
43.7 |
-4.3 |
0.939 |
2 |
0 |
0 |
0.095 |
16 |
19 |
|
B |
4 |
3 |
5052 |
◊ |
B |
-y,-x,-z-1/3 |
10_554 |
4 |
3 |
5052 |
41.6 |
1.3 |
0.854 |
0 |
0 |
0 |
0.000 |
17 |
20 |
|
C |
4 |
1 |
5312 |
◊ |
C |
y+1,x-1,-z-1/3 |
7_644 |
4 |
1 |
5312 |
33.8 |
0.7 |
0.765 |
0 |
0 |
0 |
0.000 |
18 |
21 |
|
A |
4 |
2 |
5782 |
◊ |
B |
x-y-1,-y-1,-z |
8_445 |
1 |
1 |
5052 |
32.9 |
0.5 |
0.785 |
1 |
0 |
0 |
0.000 |
19 |
22 |
|
A |
2 |
1 |
5782 |
◊ |
A |
-y,-x,-z-1/3 |
10_554 |
2 |
1 |
5782 |
32.0 |
0.7 |
0.860 |
0 |
0 |
0 |
0.000 |
23 |
|
B |
2 |
1 |
5052 |
◊ |
C |
y,x-1,-z-1/3 |
7_544 |
2 |
1 |
5312 |
7.7 |
0.2 |
0.713 |
0 |
0 |
0 |
0.000 |
Average: |
19.8 |
0.5 |
0.786 |
0 |
0 |
0 |
0.000 |
20 |
24 |
|
[MN]A:402 |
1 |
1 |
123 |
◊ |
B |
-x+y+1,y,-z |
11_655 |
6 |
4 |
5052 |
22.9 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.013 |
21 |
25 |
|
[SO4]C:401 |
1 |
1 |
186 |
◊ |
[SO4]C:401 |
-y+1,-x+1,-z-1/3 |
10_664 |
1 |
1 |
186 |
18.0 |
-4.3 |
0.800 |
0 |
0 |
0 |
0.089 |
22 |
26 |
|
[SO4]B:401 |
1 |
1 |
187 |
◊ |
[SO4]A:401 |
x,y,z |
1_555 |
1 |
1 |
186 |
15.3 |
-3.7 |
0.800 |
0 |
0 |
0 |
0.068 |
23 |
27 |
|
[MN]A:402 |
1 |
1 |
123 |
◊ |
A |
-x,-y-1,z |
4_545 |
2 |
2 |
5782 |
3.2 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.006 |
|