## |
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 |
56 |
19 |
6530 |
◊ |
A |
x,y,z |
1_555 |
51 |
18 |
6684 |
541.4 |
-5.3 |
0.272 |
2 |
1 |
0 |
0.014 |
2 |
2 |
|
B |
44 |
13 |
6530 |
◊ |
A |
x-1,y+1,z |
1_465 |
44 |
14 |
6684 |
406.6 |
-4.4 |
0.252 |
8 |
0 |
0 |
0.000 |
3 |
|
B |
43 |
13 |
6530 |
◊ |
A |
x-1,y,z+1 |
1_456 |
47 |
13 |
6684 |
402.8 |
-4.1 |
0.286 |
7 |
0 |
0 |
0.000 |
Average: |
404.7 |
-4.2 |
0.269 |
8 |
0 |
0 |
0.000 |
3 |
4 |
|
[BEF]A:133 |
4 |
1 |
173 |
f |
B |
x,y,z |
1_555 |
16 |
7 |
6530 |
91.7 |
0.5 |
0.375 |
2 |
0 |
0 |
0.002 |
4 |
5 |
|
[BEF]A:134 |
4 |
1 |
172 |
f |
A |
x,y,z |
1_555 |
17 |
6 |
6684 |
91.2 |
2.4 |
0.539 |
4 |
0 |
0 |
0.000 |
5 |
6 |
|
[BEF]B:133 |
4 |
1 |
172 |
f |
B |
x,y,z |
1_555 |
15 |
6 |
6530 |
90.5 |
2.7 |
0.556 |
4 |
0 |
0 |
0.000 |
6 |
7 |
|
[SO4]A:132 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
13 |
4 |
6684 |
81.1 |
-10.8 |
0.821 |
2 |
0 |
0 |
0.064 |
7 |
8 |
|
[BEF]A:135 |
4 |
1 |
173 |
f |
A |
x,y,z |
1_555 |
8 |
4 |
6684 |
77.8 |
1.9 |
0.539 |
4 |
0 |
0 |
0.000 |
8 |
9 |
|
[BEF]B:131 |
4 |
1 |
173 |
f |
B |
x,y,z |
1_555 |
14 |
8 |
6530 |
72.8 |
1.9 |
0.592 |
5 |
0 |
0 |
0.002 |
9 |
10 |
|
[BEF]A:131 |
4 |
1 |
173 |
f |
A |
x,y,z |
1_555 |
13 |
7 |
6684 |
72.2 |
1.8 |
0.579 |
4 |
0 |
0 |
0.000 |
10 |
11 |
|
[SO4]B:132 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
9 |
4 |
6530 |
63.6 |
-8.8 |
0.641 |
2 |
0 |
0 |
0.056 |
11 |
12 |
|
A |
10 |
4 |
6684 |
◊ |
B |
x,y,z-1 |
1_554 |
7 |
3 |
6530 |
59.1 |
-0.5 |
0.396 |
0 |
0 |
0 |
0.000 |
13 |
|
A |
6 |
3 |
6684 |
◊ |
B |
x,y-1,z |
1_545 |
6 |
2 |
6530 |
49.4 |
-0.5 |
0.398 |
0 |
0 |
0 |
0.000 |
Average: |
54.3 |
-0.5 |
0.397 |
0 |
0 |
0 |
0.000 |
12 |
14 |
|
B |
8 |
3 |
6530 |
◊ |
[BEF]A:135 |
x-1,y+1,z |
1_465 |
4 |
1 |
173 |
40.8 |
0.6 |
0.435 |
0 |
0 |
0 |
0.000 |
13 |
15 |
|
[BEF]A:133 |
3 |
1 |
173 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
6684 |
39.0 |
1.2 |
0.117 |
2 |
0 |
0 |
0.000 |
14 |
16 |
|
[MG]B:130 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
11 |
6 |
6530 |
38.5 |
-5.9 |
0.000 |
0 |
0 |
0 |
0.034 |
17 |
|
[MG]A:130 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
11 |
6 |
6684 |
37.9 |
-5.9 |
0.000 |
0 |
0 |
0 |
0.034 |
Average: |
38.2 |
-5.9 |
0.000 |
0 |
0 |
0 |
0.034 |
15 |
18 |
|
B |
6 |
1 |
6530 |
◊ |
[BEF]A:131 |
x-1,y+1,z |
1_465 |
3 |
1 |
173 |
30.1 |
0.7 |
0.105 |
2 |
0 |
0 |
0.000 |
16 |
19 |
|
[BEF]B:131 |
3 |
1 |
173 |
◊ |
A |
x-1,y,z+1 |
1_456 |
5 |
1 |
6684 |
29.8 |
0.7 |
0.103 |
1 |
0 |
0 |
0.000 |
17 |
20 |
|
[SO4]A:132 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
4 |
3 |
6530 |
26.5 |
-3.1 |
0.889 |
1 |
0 |
0 |
0.008 |
18 |
21 |
|
[BEF]B:131 |
2 |
1 |
173 |
f |
[MG]B:130 |
x,y,z |
1_555 |
1 |
1 |
98 |
22.1 |
-1.9 |
0.000 |
0 |
0 |
0 |
0.011 |
19 |
22 |
|
[BEF]A:131 |
2 |
1 |
173 |
f |
[MG]A:130 |
x,y,z |
1_555 |
1 |
1 |
98 |
22.0 |
-1.9 |
0.000 |
0 |
0 |
0 |
0.010 |
20 |
23 |
|
[BEF]A:135 |
2 |
1 |
173 |
f |
[BEF]A:134 |
x,y,z |
1_555 |
2 |
1 |
172 |
18.8 |
0.5 |
0.625 |
0 |
0 |
0 |
0.000 |
21 |
24 |
|
[MG]B:130 |
1 |
1 |
98 |
◊ |
A |
x-1,y,z+1 |
1_456 |
5 |
1 |
6684 |
16.1 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.000 |
25 |
|
B |
5 |
1 |
6530 |
◊ |
[MG]A:130 |
x-1,y+1,z |
1_465 |
1 |
1 |
98 |
15.4 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.000 |
Average: |
15.8 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.000 |
22 |
26 |
|
B |
1 |
1 |
6530 |
x |
B |
x,y-1,z |
1_545 |
3 |
1 |
6530 |
8.5 |
-0.2 |
0.339 |
0 |
0 |
0 |
0.000 |
23 |
27 |
|
A |
2 |
1 |
6684 |
x |
A |
x-1,y,z |
1_455 |
1 |
1 |
6684 |
7.2 |
0.2 |
0.770 |
0 |
0 |
0 |
0.000 |
|