## |
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 |
96 |
25 |
7797 |
◊ |
C |
-x+1,y,-z |
2_655 |
97 |
25 |
7797 |
919.3 |
-14.2 |
0.073 |
9 |
4 |
0 |
1.000 |
2 |
|
B |
96 |
25 |
7740 |
◊ |
A |
x,y,z |
1_555 |
94 |
25 |
7836 |
918.1 |
-14.4 |
0.059 |
9 |
4 |
0 |
1.000 |
Average: |
918.7 |
-14.3 |
0.066 |
9 |
4 |
0 |
1.000 |
2 |
3 |
|
C |
47 |
13 |
7797 |
◊ |
B |
-x+1,y,-z |
2_655 |
49 |
16 |
7740 |
457.7 |
-1.5 |
0.588 |
4 |
0 |
0 |
0.098 |
4 |
|
C |
45 |
16 |
7797 |
◊ |
A |
x,y,z |
1_555 |
45 |
14 |
7836 |
435.2 |
-2.2 |
0.524 |
5 |
0 |
0 |
0.098 |
Average: |
446.5 |
-1.8 |
0.556 |
5 |
0 |
0 |
0.098 |
3 |
5 |
|
B |
33 |
11 |
7740 |
◊ |
B |
-x+1,y,-z |
2_655 |
35 |
11 |
7740 |
374.8 |
-2.6 |
0.436 |
2 |
0 |
0 |
0.036 |
4 |
6 |
|
C |
37 |
12 |
7797 |
◊ |
B |
x-1/2,y-1/2,z |
3_445 |
40 |
15 |
7740 |
320.4 |
-2.6 |
0.459 |
0 |
0 |
0 |
0.000 |
5 |
7 |
|
C |
32 |
11 |
7797 |
◊ |
A |
x,y-1,z |
1_545 |
27 |
10 |
7836 |
273.8 |
-0.9 |
0.586 |
2 |
2 |
0 |
0.000 |
6 |
8 |
|
A |
20 |
9 |
7836 |
◊ |
A |
-x+1,y,-z+1 |
2_656 |
20 |
9 |
7836 |
213.3 |
0.6 |
0.712 |
4 |
4 |
0 |
0.000 |
7 |
9 |
|
B |
24 |
9 |
7740 |
◊ |
A |
-x+3/2,y-1/2,-z+1 |
4_646 |
23 |
8 |
7836 |
190.0 |
-0.6 |
0.583 |
1 |
1 |
0 |
0.000 |
8 |
10 |
|
C |
19 |
8 |
7797 |
◊ |
A |
-x+3/2,y-1/2,-z+1 |
4_646 |
16 |
6 |
7836 |
182.9 |
-1.6 |
0.397 |
0 |
0 |
0 |
0.000 |
9 |
11 |
|
C |
18 |
8 |
7797 |
◊ |
B |
x,y,z |
1_555 |
15 |
7 |
7740 |
148.7 |
-2.5 |
0.271 |
0 |
0 |
0 |
0.032 |
10 |
12 |
|
A |
19 |
5 |
7836 |
◊ |
B |
x-1/2,y+1/2,z |
3_455 |
14 |
7 |
7740 |
147.2 |
-0.0 |
0.633 |
1 |
0 |
0 |
0.000 |
11 |
13 |
|
B |
7 |
3 |
7740 |
◊ |
A |
-x+1,y,-z |
2_655 |
8 |
2 |
7836 |
84.5 |
1.1 |
0.809 |
1 |
1 |
0 |
0.000 |
12 |
14 |
|
[SO4]B:800 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
13 |
4 |
7740 |
71.6 |
-10.6 |
0.764 |
3 |
0 |
0 |
0.329 |
13 |
15 |
|
[CU]C:301 |
1 |
1 |
125 |
x |
C |
x,y,z |
1_555 |
6 |
2 |
7797 |
56.8 |
-8.2 |
0.000 |
0 |
0 |
0 |
0.467 |
16 |
|
[CU]A:300 |
1 |
1 |
125 |
x |
B |
x,y,z |
1_555 |
7 |
2 |
7740 |
42.9 |
-5.5 |
0.000 |
0 |
0 |
0 |
0.467 |
17 |
|
[CU]A:300 |
1 |
1 |
125 |
x |
A |
x,y,z |
1_555 |
6 |
2 |
7836 |
41.9 |
-5.3 |
0.000 |
0 |
0 |
0 |
0.467 |
Average: |
47.2 |
-6.3 |
0.000 |
0 |
0 |
0 |
0.467 |
14 |
18 |
|
A |
6 |
2 |
7836 |
◊ |
C |
x-1/2,y+1/2,z |
3_455 |
3 |
2 |
7797 |
40.5 |
-0.0 |
0.560 |
0 |
2 |
0 |
0.000 |
15 |
19 |
|
[SO4]B:800 |
4 |
1 |
186 |
◊ |
A |
-x+3/2,y-1/2,-z+1 |
4_646 |
4 |
2 |
7836 |
40.3 |
-3.6 |
0.956 |
2 |
0 |
0 |
0.000 |
16 |
20 |
|
[SO4]B:800 |
3 |
1 |
186 |
◊ |
A |
x,y,z |
1_555 |
4 |
2 |
7836 |
36.1 |
-3.4 |
0.893 |
2 |
0 |
0 |
0.119 |
17 |
21 |
|
[CU]C:301 |
1 |
1 |
125 |
x |
B |
x,y,z |
1_555 |
2 |
1 |
7740 |
10.7 |
-1.3 |
0.000 |
0 |
0 |
0 |
0.027 |
22 |
|
[CU]A:300 |
1 |
1 |
125 |
x |
C |
x,y,z |
1_555 |
2 |
1 |
7797 |
8.3 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.027 |
Average: |
9.5 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.027 |
18 |
23 |
|
[CU]A:300 |
1 |
1 |
125 |
f |
B |
-x+1,y,-z |
2_655 |
1 |
1 |
7740 |
10.0 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.028 |
19 |
24 |
|
A |
1 |
1 |
7836 |
◊ |
B |
x-1/2,y-1/2,z |
3_445 |
1 |
1 |
7740 |
7.9 |
0.4 |
0.865 |
0 |
0 |
0 |
0.000 |
20 |
25 |
|
A |
1 |
1 |
7836 |
x |
A |
-x+3/2,y-1/2,-z+1 |
4_646 |
1 |
1 |
7836 |
7.4 |
0.2 |
0.806 |
0 |
0 |
0 |
0.000 |
21 |
26 |
|
C |
1 |
1 |
7797 |
◊ |
B |
-x+3/2,y-1/2,-z+1 |
4_646 |
1 |
1 |
7740 |
4.4 |
0.0 |
0.542 |
0 |
0 |
0 |
0.000 |
22 |
27 |
|
B |
1 |
1 |
7740 |
◊ |
B |
-x+2,y,-z+1 |
2_756 |
1 |
1 |
7740 |
2.9 |
0.1 |
0.711 |
0 |
0 |
0 |
0.000 |
|