## |
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 |
75 |
25 |
11579 |
◊ |
B |
x,y,z |
1_555 |
73 |
28 |
11939 |
637.4 |
3.4 |
0.861 |
8 |
6 |
0 |
0.000 |
2 |
2 |
|
D |
68 |
27 |
11673 |
◊ |
A |
x,y,z |
1_555 |
70 |
24 |
11187 |
583.0 |
-2.8 |
0.637 |
3 |
1 |
0 |
0.000 |
3 |
|
C |
58 |
22 |
11579 |
◊ |
B |
x-1,y,z |
1_455 |
58 |
22 |
11939 |
535.5 |
-3.5 |
0.455 |
2 |
2 |
0 |
0.000 |
Average: |
559.2 |
-3.1 |
0.546 |
3 |
2 |
0 |
0.000 |
3 |
4 |
|
C |
58 |
15 |
11579 |
◊ |
D |
-x,y-1/2,-z+1 |
2_546 |
58 |
15 |
11673 |
491.7 |
-3.8 |
0.433 |
5 |
0 |
0 |
0.000 |
5 |
|
B |
55 |
13 |
11939 |
◊ |
A |
-x+1,y-1/2,-z+1 |
2_646 |
55 |
11 |
11187 |
470.8 |
-4.2 |
0.421 |
6 |
0 |
0 |
0.000 |
Average: |
481.3 |
-4.0 |
0.427 |
6 |
0 |
0 |
0.000 |
4 |
6 |
|
D |
34 |
15 |
11673 |
◊ |
A |
x-1,y,z |
1_455 |
39 |
13 |
11187 |
296.6 |
0.4 |
0.786 |
4 |
2 |
0 |
0.000 |
5 |
7 |
|
B |
22 |
10 |
11939 |
x |
B |
-x+1,y-1/2,-z |
2_645 |
22 |
6 |
11939 |
250.9 |
-2.3 |
0.336 |
2 |
0 |
0 |
0.000 |
6 |
8 |
|
C |
23 |
9 |
11579 |
x |
C |
-x,y-1/2,-z |
2_545 |
22 |
8 |
11579 |
235.8 |
-4.4 |
0.109 |
1 |
0 |
0 |
0.000 |
7 |
9 |
|
D |
16 |
7 |
11673 |
◊ |
C |
x,y,z |
1_555 |
13 |
6 |
11579 |
156.9 |
-0.5 |
0.487 |
1 |
0 |
0 |
0.000 |
8 |
10 |
|
C |
18 |
6 |
11579 |
◊ |
D |
x,y-1,z |
1_545 |
15 |
5 |
11673 |
156.3 |
-2.3 |
0.276 |
0 |
0 |
0 |
0.000 |
9 |
11 |
|
B |
17 |
8 |
11939 |
◊ |
A |
x,y,z |
1_555 |
12 |
4 |
11187 |
151.7 |
-0.8 |
0.545 |
2 |
2 |
0 |
0.000 |
10 |
12 |
|
B |
17 |
6 |
11939 |
◊ |
A |
x,y-1,z |
1_545 |
14 |
5 |
11187 |
124.4 |
-2.5 |
0.246 |
0 |
0 |
0 |
0.000 |
11 |
13 |
|
A |
16 |
4 |
11187 |
x |
A |
-x+1,y-1/2,-z+1 |
2_646 |
14 |
6 |
11187 |
113.5 |
-1.1 |
0.514 |
0 |
0 |
0 |
0.000 |
12 |
14 |
|
B |
11 |
3 |
11939 |
◊ |
D |
-x,y-1/2,-z |
2_545 |
13 |
5 |
11673 |
100.8 |
-0.7 |
0.528 |
1 |
0 |
0 |
0.000 |
13 |
15 |
|
D |
15 |
5 |
11673 |
x |
D |
-x,y-1/2,-z+1 |
2_546 |
11 |
5 |
11673 |
85.7 |
-1.1 |
0.445 |
0 |
0 |
0 |
0.000 |
14 |
16 |
|
B |
9 |
3 |
11939 |
◊ |
A |
-x+1,y-1/2,-z |
2_645 |
10 |
3 |
11187 |
82.1 |
0.7 |
0.799 |
0 |
0 |
0 |
0.000 |
17 |
|
C |
8 |
3 |
11579 |
◊ |
D |
-x,y-1/2,-z |
2_545 |
10 |
2 |
11673 |
80.3 |
1.3 |
0.856 |
0 |
0 |
0 |
0.000 |
Average: |
81.2 |
1.0 |
0.827 |
0 |
0 |
0 |
0.000 |
15 |
18 |
|
B |
14 |
4 |
11939 |
f |
[SO4]A:602 |
-x+1,y-1/2,-z |
2_645 |
5 |
1 |
186 |
76.1 |
-10.9 |
0.806 |
1 |
0 |
0 |
0.296 |
16 |
19 |
|
C |
8 |
2 |
11579 |
◊ |
A |
-x,y-1/2,-z |
2_545 |
9 |
4 |
11187 |
70.3 |
-0.6 |
0.501 |
0 |
0 |
0 |
0.000 |
17 |
20 |
|
[CA]D:601 |
1 |
1 |
85 |
f |
D |
x,y,z |
1_555 |
9 |
6 |
11673 |
46.4 |
-9.6 |
0.000 |
0 |
0 |
0 |
0.275 |
21 |
|
[CA]B:601 |
1 |
1 |
85 |
f |
B |
x,y,z |
1_555 |
8 |
4 |
11939 |
46.1 |
-10.5 |
0.000 |
0 |
0 |
0 |
0.275 |
22 |
|
[CA]C:602 |
1 |
1 |
85 |
f |
C |
x,y,z |
1_555 |
9 |
5 |
11579 |
44.6 |
-9.0 |
0.000 |
0 |
0 |
0 |
0.275 |
Average: |
45.7 |
-9.7 |
0.000 |
0 |
0 |
0 |
0.275 |
18 |
23 |
|
[SO4]A:602 |
4 |
1 |
186 |
◊ |
A |
x,y,z |
1_555 |
6 |
2 |
11187 |
46.1 |
-5.2 |
0.942 |
0 |
0 |
0 |
0.137 |
19 |
24 |
|
[NI]C:601 |
1 |
1 |
115 |
◊ |
C |
x,y,z |
1_555 |
6 |
2 |
11579 |
44.4 |
-5.7 |
0.000 |
0 |
0 |
0 |
0.249 |
25 |
|
[NI]C:601 |
1 |
1 |
115 |
c |
D |
-x,y-1/2,-z |
2_545 |
5 |
2 |
11673 |
43.3 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.249 |
26 |
|
B |
7 |
3 |
11939 |
◊ |
[NI]A:601 |
-x+1,y-1/2,-z |
2_645 |
1 |
1 |
115 |
42.3 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.249 |
27 |
|
[NI]A:601 |
1 |
1 |
115 |
◊ |
A |
x,y,z |
1_555 |
6 |
2 |
11187 |
41.6 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.249 |
Average: |
42.9 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.249 |
20 |
28 |
|
[SO4]A:602 |
1 |
1 |
186 |
◊ |
[NI]A:601 |
x,y,z |
1_555 |
1 |
1 |
115 |
10.7 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.063 |
|