## |
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 |
121 |
33 |
6803 |
◊ |
A |
x,y,z |
1_555 |
115 |
30 |
6762 |
1078.0 |
-11.8 |
0.231 |
17 |
0 |
0 |
0.429 |
2 |
|
C |
116 |
29 |
6805 |
◊ |
A |
x,y,z |
1_555 |
126 |
33 |
6762 |
1068.7 |
-11.2 |
0.266 |
15 |
0 |
0 |
0.429 |
3 |
|
C |
124 |
33 |
6805 |
◊ |
B |
x,y,z |
1_555 |
111 |
29 |
6803 |
1035.6 |
-13.0 |
0.175 |
15 |
0 |
0 |
0.429 |
Average: |
1060.7 |
-12.0 |
0.224 |
16 |
0 |
0 |
0.429 |
2 |
4 |
|
A |
48 |
18 |
6762 |
◊ |
B |
-x+1,y-1/2,-z-1/2 |
4_644 |
50 |
15 |
6803 |
429.2 |
-1.6 |
0.590 |
1 |
1 |
0 |
0.000 |
5 |
|
C |
46 |
14 |
6805 |
◊ |
A |
x-1/2,-y-1/2,-z |
3_445 |
42 |
9 |
6762 |
393.3 |
-2.6 |
0.509 |
2 |
0 |
0 |
0.000 |
Average: |
411.3 |
-2.1 |
0.550 |
2 |
1 |
0 |
0.000 |
3 |
6 |
|
[9BE]C:201 |
10 |
1 |
327 |
cf |
C |
x,y,z |
1_555 |
35 |
13 |
6805 |
192.3 |
-5.4 |
0.458 |
0 |
0 |
0 |
0.041 |
4 |
7 |
|
[9BE]A:201 |
10 |
1 |
326 |
cf |
A |
x,y,z |
1_555 |
31 |
10 |
6762 |
181.5 |
-5.7 |
0.397 |
0 |
0 |
0 |
0.043 |
5 |
8 |
|
[9BE]B:201 |
10 |
1 |
326 |
cf |
B |
x,y,z |
1_555 |
30 |
11 |
6803 |
179.1 |
-5.5 |
0.375 |
0 |
0 |
0 |
0.041 |
6 |
9 |
|
B |
12 |
5 |
6803 |
◊ |
A |
x-1/2,-y-1/2,-z |
3_445 |
16 |
7 |
6762 |
127.6 |
0.2 |
0.685 |
2 |
0 |
0 |
0.000 |
10 |
|
C |
12 |
5 |
6805 |
◊ |
B |
-x+1,y-1/2,-z-1/2 |
4_644 |
15 |
7 |
6803 |
125.7 |
-0.1 |
0.645 |
0 |
0 |
0 |
0.000 |
Average: |
126.6 |
0.0 |
0.665 |
1 |
0 |
0 |
0.000 |
7 |
11 |
|
A |
14 |
6 |
6762 |
◊ |
C |
-x+1/2,-y,z-1/2 |
2_554 |
11 |
5 |
6805 |
91.3 |
-0.1 |
0.600 |
0 |
0 |
0 |
0.000 |
8 |
12 |
|
[SO4]B:202 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
11 |
5 |
6803 |
83.1 |
-12.3 |
0.739 |
5 |
0 |
0 |
0.109 |
9 |
13 |
|
[SO4]A:202 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
11 |
5 |
6762 |
82.1 |
-12.4 |
0.767 |
5 |
0 |
0 |
0.110 |
10 |
14 |
|
[IPA]C:204 |
4 |
1 |
198 |
◊ |
B |
-x+1,y-1/2,-z-1/2 |
4_644 |
15 |
3 |
6803 |
80.2 |
2.3 |
0.237 |
0 |
0 |
0 |
0.000 |
11 |
15 |
|
[SO4]C:202 |
5 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
11 |
6 |
6805 |
76.7 |
-11.1 |
0.779 |
5 |
0 |
0 |
0.100 |
12 |
16 |
|
[9BE]C:201 |
8 |
1 |
327 |
◊ |
B |
x,y,z |
1_555 |
12 |
3 |
6803 |
71.2 |
-1.4 |
0.759 |
0 |
0 |
0 |
0.010 |
13 |
17 |
|
B |
9 |
3 |
6803 |
◊ |
C |
-x+1/2,-y,z-1/2 |
2_554 |
12 |
4 |
6805 |
68.6 |
0.1 |
0.671 |
0 |
0 |
0 |
0.000 |
14 |
18 |
|
[9BE]B:201 |
7 |
1 |
326 |
◊ |
A |
x,y,z |
1_555 |
12 |
4 |
6762 |
67.7 |
-1.2 |
0.726 |
0 |
0 |
0 |
0.009 |
15 |
19 |
|
[9BE]A:201 |
7 |
1 |
326 |
◊ |
C |
x,y,z |
1_555 |
12 |
3 |
6805 |
66.5 |
-0.3 |
0.792 |
0 |
0 |
0 |
0.002 |
16 |
20 |
|
[SO4]A:203 |
4 |
1 |
185 |
f |
B |
-x+1,y-1/2,-z-1/2 |
4_644 |
9 |
5 |
6803 |
64.3 |
-8.5 |
0.823 |
3 |
0 |
0 |
0.074 |
17 |
21 |
|
[SO4]C:203 |
4 |
1 |
185 |
f |
A |
x-1/2,-y-1/2,-z |
3_445 |
8 |
5 |
6762 |
52.7 |
-6.6 |
0.701 |
1 |
0 |
0 |
0.053 |
18 |
22 |
|
[IPA]C:204 |
3 |
1 |
198 |
◊ |
A |
x,y,z |
1_555 |
10 |
3 |
6762 |
46.8 |
1.0 |
0.232 |
0 |
0 |
0 |
0.000 |
19 |
23 |
|
[SO4]C:203 |
4 |
1 |
185 |
◊ |
C |
x,y,z |
1_555 |
6 |
3 |
6805 |
43.0 |
-4.3 |
0.943 |
1 |
0 |
0 |
0.000 |
20 |
24 |
|
[SO4]A:203 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
4 |
2 |
6762 |
42.0 |
-4.0 |
0.966 |
2 |
0 |
0 |
0.000 |
21 |
25 |
|
[IPA]C:204 |
3 |
1 |
198 |
f |
A |
-x+1,y-1/2,-z-1/2 |
4_644 |
7 |
4 |
6762 |
34.6 |
0.6 |
0.739 |
0 |
0 |
0 |
0.000 |
22 |
26 |
|
[IPA]C:204 |
1 |
1 |
198 |
◊ |
C |
x,y,z |
1_555 |
4 |
2 |
6805 |
24.5 |
0.9 |
0.591 |
0 |
0 |
0 |
0.000 |
23 |
27 |
|
C |
3 |
1 |
6805 |
◊ |
[9BE]A:201 |
x-1/2,-y-1/2,-z |
3_445 |
1 |
1 |
326 |
22.7 |
-0.7 |
0.276 |
0 |
0 |
0 |
0.000 |
24 |
28 |
|
A |
3 |
1 |
6762 |
◊ |
[9BE]B:201 |
-x+1,y-1/2,-z-1/2 |
4_644 |
2 |
1 |
326 |
20.2 |
-0.6 |
0.647 |
0 |
0 |
0 |
0.000 |
|