## |
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 |
28 |
13845 |
◊ |
D |
x-1,y+1,z |
1_465 |
94 |
28 |
13690 |
878.7 |
-2.9 |
0.543 |
14 |
6 |
0 |
0.094 |
2 |
|
B |
96 |
27 |
13849 |
◊ |
A |
x-1,y+1,z |
1_465 |
95 |
28 |
13688 |
875.1 |
-2.7 |
0.563 |
14 |
6 |
0 |
0.094 |
Average: |
876.9 |
-2.8 |
0.553 |
14 |
6 |
0 |
0.094 |
2 |
3 |
|
C |
77 |
22 |
13845 |
◊ |
B |
x,y,z |
1_555 |
81 |
22 |
13849 |
659.1 |
-8.1 |
0.176 |
6 |
8 |
0 |
0.148 |
4 |
|
D |
76 |
21 |
13690 |
◊ |
A |
x,y,z |
1_555 |
78 |
21 |
13688 |
653.0 |
-8.8 |
0.135 |
6 |
8 |
0 |
0.148 |
Average: |
656.0 |
-8.4 |
0.155 |
6 |
8 |
0 |
0.148 |
3 |
5 |
|
B |
47 |
17 |
13849 |
◊ |
A |
x-1,y,z |
1_455 |
48 |
15 |
13688 |
465.0 |
-1.6 |
0.507 |
6 |
0 |
0 |
0.000 |
6 |
|
D |
49 |
14 |
13690 |
◊ |
C |
x,y-1,z |
1_545 |
46 |
17 |
13845 |
462.4 |
-3.6 |
0.320 |
6 |
0 |
0 |
0.000 |
Average: |
463.7 |
-2.6 |
0.413 |
6 |
0 |
0 |
0.000 |
4 |
7 |
|
D |
39 |
16 |
13690 |
◊ |
C |
x,y,z |
1_555 |
35 |
15 |
13845 |
308.5 |
-2.5 |
0.376 |
1 |
2 |
0 |
0.000 |
8 |
|
B |
32 |
14 |
13849 |
◊ |
A |
x,y,z |
1_555 |
39 |
17 |
13688 |
282.6 |
-3.3 |
0.295 |
0 |
0 |
0 |
0.000 |
Average: |
295.6 |
-2.9 |
0.336 |
1 |
1 |
0 |
0.000 |
5 |
9 |
|
C |
28 |
9 |
13845 |
◊ |
A |
x,y,z-1 |
1_554 |
28 |
10 |
13688 |
262.4 |
-0.9 |
0.539 |
2 |
0 |
0 |
0.000 |
6 |
10 |
|
D |
29 |
9 |
13690 |
◊ |
A |
x,y,z-1 |
1_554 |
38 |
10 |
13688 |
260.5 |
-1.0 |
0.545 |
3 |
1 |
0 |
0.000 |
7 |
11 |
|
C |
12 |
4 |
13845 |
◊ |
A |
x-1,y+1,z |
1_465 |
16 |
4 |
13688 |
157.8 |
1.7 |
0.831 |
2 |
0 |
0 |
0.000 |
12 |
|
B |
12 |
4 |
13849 |
◊ |
D |
x-1,y+1,z |
1_465 |
13 |
4 |
13690 |
149.8 |
1.5 |
0.826 |
2 |
0 |
0 |
0.000 |
Average: |
153.8 |
1.6 |
0.828 |
2 |
0 |
0 |
0.000 |
8 |
13 |
|
C |
18 |
6 |
13845 |
◊ |
A |
x,y,z |
1_555 |
18 |
6 |
13688 |
154.8 |
-1.5 |
0.405 |
0 |
0 |
0 |
0.000 |
14 |
|
D |
17 |
6 |
13690 |
◊ |
B |
x,y,z |
1_555 |
17 |
6 |
13849 |
143.0 |
-1.3 |
0.418 |
0 |
0 |
0 |
0.000 |
Average: |
148.9 |
-1.4 |
0.411 |
0 |
0 |
0 |
0.000 |
9 |
15 |
|
[SO4]A:401 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
20 |
12 |
13688 |
116.0 |
-18.3 |
0.779 |
5 |
0 |
0 |
0.240 |
10 |
16 |
|
[SO4]C:401 |
5 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
17 |
10 |
13845 |
97.9 |
-14.4 |
0.771 |
4 |
0 |
0 |
0.182 |
11 |
17 |
|
[SO4]B:403 |
5 |
1 |
187 |
f |
B |
x,y,z |
1_555 |
14 |
8 |
13849 |
92.8 |
-13.9 |
0.743 |
4 |
0 |
0 |
0.176 |
12 |
18 |
|
[SO4]D:401 |
5 |
1 |
186 |
f |
D |
x,y,z |
1_555 |
14 |
8 |
13690 |
88.6 |
-13.3 |
0.750 |
4 |
0 |
0 |
0.176 |
13 |
19 |
|
[SO4]A:402 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
14 |
5 |
13688 |
83.5 |
-12.9 |
0.663 |
2 |
0 |
0 |
0.162 |
14 |
20 |
|
[SO4]B:401 |
5 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
13 |
5 |
13845 |
83.2 |
-12.9 |
0.650 |
2 |
0 |
0 |
0.155 |
15 |
21 |
|
[SO4]D:402 |
5 |
1 |
187 |
f |
D |
x,y,z |
1_555 |
13 |
5 |
13690 |
82.8 |
-12.5 |
0.694 |
2 |
0 |
0 |
0.157 |
16 |
22 |
|
[SO4]B:402 |
5 |
1 |
187 |
f |
B |
x,y,z |
1_555 |
14 |
5 |
13849 |
82.7 |
-12.8 |
0.644 |
2 |
0 |
0 |
0.154 |
17 |
23 |
|
[SO4]C:402 |
5 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
9 |
5 |
13845 |
77.5 |
-6.9 |
0.984 |
3 |
0 |
0 |
0.092 |
18 |
24 |
|
B |
10 |
3 |
13849 |
◊ |
C |
x-1,y,z+1 |
1_456 |
6 |
3 |
13845 |
65.5 |
1.3 |
0.809 |
0 |
0 |
0 |
0.000 |
19 |
25 |
|
[SO4]B:402 |
4 |
1 |
187 |
◊ |
C |
x,y,z |
1_555 |
5 |
2 |
13845 |
41.0 |
-4.3 |
0.907 |
1 |
0 |
0 |
0.053 |
20 |
26 |
|
[SO4]D:402 |
4 |
1 |
187 |
◊ |
A |
x,y,z |
1_555 |
4 |
2 |
13688 |
40.6 |
-4.3 |
0.920 |
2 |
0 |
0 |
0.060 |
21 |
27 |
|
C |
3 |
1 |
13845 |
◊ |
[SO4]A:402 |
x-1,y+1,z |
1_465 |
3 |
1 |
186 |
39.0 |
-3.7 |
0.930 |
2 |
0 |
0 |
0.022 |
22 |
28 |
|
[SO4]B:401 |
4 |
1 |
186 |
◊ |
B |
x,y,z |
1_555 |
4 |
2 |
13849 |
38.9 |
-4.0 |
0.927 |
2 |
0 |
0 |
0.055 |
23 |
29 |
|
[SO4]B:402 |
3 |
1 |
187 |
◊ |
D |
x-1,y+1,z |
1_465 |
3 |
1 |
13690 |
38.9 |
-3.7 |
0.940 |
1 |
0 |
0 |
0.020 |
24 |
30 |
|
B |
3 |
1 |
13849 |
◊ |
[SO4]D:402 |
x-1,y+1,z |
1_465 |
3 |
1 |
187 |
38.8 |
-3.7 |
0.934 |
2 |
0 |
0 |
0.022 |
25 |
31 |
|
[SO4]A:402 |
4 |
1 |
186 |
◊ |
D |
x,y,z |
1_555 |
4 |
2 |
13690 |
37.5 |
-3.9 |
0.925 |
2 |
0 |
0 |
0.056 |
26 |
32 |
|
[SO4]B:401 |
3 |
1 |
186 |
◊ |
A |
x-1,y+1,z |
1_465 |
3 |
1 |
13688 |
36.8 |
-3.6 |
0.930 |
1 |
0 |
0 |
0.019 |
27 |
33 |
|
[SO4]C:402 |
1 |
1 |
185 |
◊ |
D |
x,y,z |
1_555 |
2 |
1 |
13690 |
17.8 |
-1.4 |
0.869 |
1 |
0 |
0 |
0.000 |
|