| ## |
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 |
95 |
33 |
9710 |
◊ |
B |
x,y,z |
1_555 |
93 |
30 |
9692 |
924.7 |
-13.8 |
0.048 |
10 |
0 |
0 |
0.192 |
2 |
|
D |
97 |
32 |
9731 |
◊ |
A |
x,y,z |
1_555 |
93 |
31 |
9715 |
921.9 |
-13.8 |
0.050 |
8 |
0 |
0 |
0.192 |
| Average: |
923.3 |
-13.8 |
0.049 |
9 |
0 |
0 |
0.192 |
| 2 |
3 |
|
B |
81 |
27 |
9692 |
◊ |
A |
x,y,z |
1_555 |
70 |
24 |
9715 |
687.0 |
-5.3 |
0.407 |
4 |
0 |
0 |
0.079 |
| 3 |
4 |
|
D |
59 |
22 |
9731 |
◊ |
C |
x,y,z |
1_555 |
55 |
20 |
9710 |
561.1 |
3.6 |
0.931 |
11 |
6 |
0 |
0.011 |
| 4 |
5 |
|
B |
51 |
15 |
9692 |
◊ |
D |
-x+3/2,y-1/2,-z+1 |
3_646 |
55 |
19 |
9731 |
432.7 |
-2.2 |
0.544 |
4 |
0 |
0 |
0.000 |
| 5 |
6 |
|
D |
45 |
16 |
9731 |
◊ |
C |
x,y,z-1 |
1_554 |
57 |
17 |
9710 |
419.0 |
-1.3 |
0.615 |
2 |
0 |
0 |
0.000 |
| 6 |
7 |
|
B |
31 |
10 |
9692 |
◊ |
A |
x-1/2,-y+1/2,-z+1 |
4_456 |
34 |
10 |
9715 |
314.1 |
-3.2 |
0.334 |
2 |
0 |
0 |
0.000 |
| 7 |
8 |
|
[SO4]B:2239 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
14 |
7 |
9692 |
105.5 |
-16.9 |
0.704 |
6 |
0 |
0 |
0.220 |
| 8 |
9 |
|
[SO4]D:4239 |
5 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
15 |
8 |
9731 |
103.9 |
-15.2 |
0.824 |
7 |
0 |
0 |
0.200 |
| 9 |
10 |
|
[SO4]A:1239 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
12 |
7 |
9715 |
102.4 |
-16.3 |
0.788 |
4 |
0 |
0 |
0.203 |
| 10 |
11 |
|
[SO4]C:3239 |
5 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
13 |
7 |
9710 |
101.1 |
-15.5 |
0.810 |
6 |
0 |
0 |
0.192 |
| 11 |
12 |
|
A |
6 |
2 |
9715 |
◊ |
C |
-x+3/2,y-1/2,-z+1 |
3_646 |
8 |
2 |
9710 |
66.4 |
-1.2 |
0.235 |
0 |
0 |
0 |
0.000 |
| 12 |
13 |
|
[MN]C:238 |
1 |
1 |
123 |
f |
C |
x,y,z |
1_555 |
13 |
8 |
9710 |
62.3 |
-6.8 |
0.000 |
0 |
0 |
0 |
0.132 |
14 |
|
[MN]A:238 |
1 |
1 |
123 |
f |
A |
x,y,z |
1_555 |
10 |
6 |
9715 |
60.7 |
-5.7 |
0.000 |
0 |
0 |
0 |
0.132 |
15 |
|
[MN]D:238 |
1 |
1 |
123 |
f |
D |
x,y,z |
1_555 |
11 |
7 |
9731 |
60.4 |
-5.7 |
0.000 |
0 |
0 |
0 |
0.132 |
16 |
|
[MN]B:238 |
1 |
1 |
123 |
f |
B |
x,y,z |
1_555 |
7 |
4 |
9692 |
59.5 |
-5.7 |
0.000 |
0 |
0 |
0 |
0.132 |
| Average: |
60.7 |
-6.0 |
0.000 |
0 |
0 |
0 |
0.132 |
| 13 |
17 |
|
D |
7 |
2 |
9731 |
◊ |
B |
x,y,z |
1_555 |
5 |
2 |
9692 |
59.1 |
0.8 |
0.813 |
2 |
0 |
0 |
0.003 |
18 |
|
C |
8 |
2 |
9710 |
◊ |
A |
x,y,z |
1_555 |
6 |
2 |
9715 |
51.5 |
0.4 |
0.735 |
2 |
0 |
0 |
0.003 |
| Average: |
55.3 |
0.6 |
0.774 |
2 |
0 |
0 |
0.003 |
| 14 |
19 |
|
[CA]C:237 |
1 |
1 |
85 |
f |
C |
x,y,z |
1_555 |
11 |
6 |
9710 |
46.0 |
-11.6 |
0.000 |
0 |
0 |
0 |
0.261 |
20 |
|
[CA]D:237 |
1 |
1 |
85 |
f |
D |
x,y,z |
1_555 |
12 |
6 |
9731 |
44.8 |
-11.5 |
0.000 |
0 |
0 |
0 |
0.261 |
21 |
|
[CA]B:237 |
1 |
1 |
85 |
f |
B |
x,y,z |
1_555 |
8 |
5 |
9692 |
44.0 |
-11.5 |
0.000 |
0 |
0 |
0 |
0.261 |
22 |
|
[CA]A:237 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
8 |
5 |
9715 |
41.6 |
-11.7 |
0.000 |
0 |
0 |
0 |
0.261 |
| Average: |
44.1 |
-11.6 |
0.000 |
0 |
0 |
0 |
0.261 |
| 15 |
23 |
|
[SO4]A:1239 |
2 |
1 |
186 |
◊ |
B |
x,y,z |
1_555 |
3 |
2 |
9692 |
29.7 |
-4.1 |
0.604 |
0 |
0 |
0 |
0.046 |
| 16 |
24 |
|
[SO4]B:2239 |
2 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
4 |
3 |
9715 |
19.9 |
-2.6 |
0.715 |
0 |
0 |
0 |
0.030 |
| 17 |
25 |
|
A |
3 |
2 |
9715 |
◊ |
D |
-x+3/2,y-1/2,-z+1 |
3_646 |
2 |
1 |
9731 |
12.0 |
0.2 |
0.711 |
0 |
0 |
0 |
0.000 |
| 18 |
26 |
|
[MN]D:238 |
1 |
1 |
123 |
f |
[CA]D:237 |
x,y,z |
1_555 |
1 |
1 |
85 |
8.2 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.018 |
| 19 |
27 |
|
[MN]C:238 |
1 |
1 |
123 |
f |
[CA]C:237 |
x,y,z |
1_555 |
1 |
1 |
85 |
8.1 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.017 |
| 20 |
28 |
|
D |
2 |
1 |
9731 |
◊ |
B |
-x+1,-y+1,z |
2_665 |
2 |
1 |
9692 |
8.0 |
0.1 |
0.537 |
0 |
0 |
0 |
0.000 |
| 21 |
29 |
|
[MN]B:238 |
1 |
1 |
123 |
f |
[CA]B:237 |
x,y,z |
1_555 |
1 |
1 |
85 |
8.0 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.018 |
| 22 |
30 |
|
[MN]A:238 |
1 |
1 |
123 |
f |
[CA]A:237 |
x,y,z |
1_555 |
1 |
1 |
85 |
7.2 |
-1.4 |
0.000 |
0 |
0 |
0 |
0.016 |
|