## |
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 |
363 |
88 |
19555 |
◊ |
A |
x,y,z |
1_555 |
365 |
89 |
19451 |
3396.9 |
-59.1 |
0.000 |
36 |
6 |
0 |
0.657 |
2 |
2 |
|
A |
86 |
21 |
19451 |
◊ |
A |
-x+1,y,-z+1 |
2_656 |
85 |
21 |
19451 |
768.7 |
3.7 |
0.891 |
8 |
4 |
0 |
0.000 |
3 |
3 |
|
B |
47 |
13 |
19555 |
◊ |
B |
-x,y,-z+2 |
2_557 |
47 |
13 |
19555 |
399.7 |
-0.0 |
0.684 |
6 |
2 |
0 |
0.000 |
4 |
4 |
|
B |
27 |
8 |
19555 |
◊ |
B |
-x,y,-z+1 |
2_556 |
27 |
8 |
19555 |
256.1 |
-2.0 |
0.416 |
2 |
0 |
0 |
0.000 |
5 |
5 |
|
A |
29 |
9 |
19451 |
◊ |
B |
-x+1/2,y-1/2,-z+1 |
4_546 |
17 |
6 |
19555 |
181.5 |
0.2 |
0.656 |
2 |
0 |
0 |
0.000 |
6 |
6 |
|
[ICT]B:702 |
13 |
1 |
320 |
f |
B |
x,y,z |
1_555 |
23 |
11 |
19555 |
163.9 |
0.6 |
0.460 |
12 |
0 |
0 |
0.079 |
7 |
|
[ICT]A:701 |
13 |
1 |
320 |
f |
A |
x,y,z |
1_555 |
24 |
11 |
19451 |
163.1 |
0.8 |
0.508 |
12 |
0 |
0 |
0.079 |
Average: |
163.5 |
0.7 |
0.484 |
12 |
0 |
0 |
0.079 |
7 |
8 |
|
A |
12 |
6 |
19451 |
◊ |
B |
-x+1/2,y-1/2,-z+2 |
4_547 |
17 |
5 |
19555 |
113.9 |
1.3 |
0.804 |
0 |
0 |
0 |
0.000 |
8 |
9 |
|
[SO4]B:601 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
11 |
4 |
19555 |
82.1 |
-8.3 |
0.933 |
3 |
0 |
0 |
0.083 |
9 |
10 |
|
B |
8 |
4 |
19555 |
◊ |
A |
-x,y,-z+1 |
2_556 |
7 |
3 |
19451 |
70.3 |
-1.1 |
0.330 |
0 |
0 |
0 |
0.000 |
10 |
11 |
|
[ICT]B:702 |
8 |
1 |
320 |
◊ |
A |
x,y,z |
1_555 |
7 |
4 |
19451 |
68.0 |
-0.5 |
0.358 |
2 |
0 |
0 |
0.025 |
12 |
|
[ICT]A:701 |
8 |
1 |
320 |
◊ |
B |
x,y,z |
1_555 |
7 |
4 |
19555 |
68.0 |
-0.7 |
0.353 |
2 |
0 |
0 |
0.025 |
Average: |
68.0 |
-0.6 |
0.356 |
2 |
0 |
0 |
0.025 |
11 |
13 |
|
A |
8 |
4 |
19451 |
◊ |
B |
x,y,z-1 |
1_554 |
12 |
5 |
19555 |
62.7 |
0.7 |
0.642 |
1 |
0 |
0 |
0.000 |
12 |
14 |
|
[SO4]B:602 |
4 |
1 |
186 |
f |
A |
-x+1/2,y-1/2,-z+1 |
4_546 |
7 |
3 |
19451 |
58.0 |
-5.9 |
0.960 |
5 |
0 |
0 |
0.070 |
13 |
15 |
|
[MN]A:501 |
1 |
1 |
123 |
f |
A |
x,y,z |
1_555 |
11 |
5 |
19451 |
46.1 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.037 |
16 |
|
[MN]B:502 |
1 |
1 |
123 |
f |
B |
x,y,z |
1_555 |
11 |
5 |
19555 |
46.0 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.037 |
Average: |
46.0 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.037 |
14 |
17 |
|
[SO4]B:602 |
4 |
1 |
186 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
19555 |
42.8 |
-3.7 |
0.972 |
3 |
0 |
0 |
0.000 |
15 |
18 |
|
[ICT]A:701 |
5 |
1 |
320 |
f |
[MN]A:501 |
x,y,z |
1_555 |
1 |
1 |
123 |
35.1 |
-1.5 |
0.000 |
0 |
0 |
0 |
0.026 |
19 |
|
[ICT]B:702 |
5 |
1 |
320 |
f |
[MN]B:502 |
x,y,z |
1_555 |
1 |
1 |
123 |
35.1 |
-1.5 |
0.000 |
0 |
0 |
0 |
0.026 |
Average: |
35.1 |
-1.5 |
0.000 |
0 |
0 |
0 |
0.026 |
16 |
20 |
|
[MN]B:502 |
1 |
1 |
123 |
◊ |
A |
x,y,z |
1_555 |
3 |
2 |
19451 |
29.4 |
-1.3 |
0.000 |
0 |
0 |
0 |
0.021 |
21 |
|
[MN]A:501 |
1 |
1 |
123 |
◊ |
B |
x,y,z |
1_555 |
3 |
2 |
19555 |
29.1 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.021 |
Average: |
29.3 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.021 |
17 |
22 |
|
A |
3 |
2 |
19451 |
x |
A |
-x+1/2,y-1/2,-z+1 |
4_546 |
2 |
1 |
19451 |
22.1 |
-0.3 |
0.432 |
0 |
0 |
0 |
0.000 |
18 |
23 |
|
B |
1 |
1 |
19555 |
x |
B |
x,y,z-1 |
1_554 |
1 |
1 |
19555 |
7.0 |
0.2 |
0.821 |
0 |
0 |
0 |
0.000 |
19 |
24 |
|
[SO4]B:602 |
1 |
1 |
186 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
19451 |
3.0 |
-0.4 |
0.644 |
0 |
0 |
0 |
0.000 |
20 |
25 |
|
B |
1 |
1 |
19555 |
◊ |
A |
-x+1/2,y-1/2,-z+1 |
4_546 |
1 |
1 |
19451 |
2.0 |
0.1 |
0.764 |
0 |
0 |
0 |
0.000 |
|