| ## |
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 |
138 |
38 |
20714 |
◊ |
C |
y,x,-z+1 |
4_556 |
139 |
38 |
20714 |
1399.1 |
-25.0 |
0.004 |
2 |
2 |
0 |
0.262 |
2 |
|
B |
127 |
35 |
20967 |
◊ |
A |
y,x,-z+1 |
4_556 |
122 |
35 |
20699 |
1250.4 |
-24.8 |
0.002 |
3 |
0 |
0 |
0.262 |
| Average: |
1324.8 |
-24.9 |
0.003 |
3 |
1 |
0 |
0.262 |
| 2 |
3 |
|
C |
133 |
33 |
20714 |
◊ |
B |
x,y,z |
1_555 |
133 |
41 |
20967 |
1244.5 |
-12.8 |
0.136 |
12 |
14 |
0 |
0.275 |
4 |
|
B |
124 |
33 |
20967 |
◊ |
A |
x,y,z |
1_555 |
133 |
41 |
20699 |
1226.4 |
-10.2 |
0.200 |
14 |
11 |
0 |
0.275 |
5 |
|
C |
131 |
40 |
20714 |
◊ |
A |
x,y,z |
1_555 |
124 |
32 |
20699 |
1212.8 |
-8.7 |
0.257 |
15 |
12 |
0 |
0.275 |
| Average: |
1227.9 |
-10.6 |
0.198 |
14 |
12 |
0 |
0.275 |
| 3 |
6 |
|
C |
42 |
12 |
20714 |
◊ |
B |
-y+1,x-y,z |
2_655 |
39 |
10 |
20967 |
358.1 |
4.5 |
0.910 |
4 |
14 |
0 |
0.000 |
| 4 |
7 |
|
C |
37 |
13 |
20714 |
◊ |
A |
-x+4/3,-x+y+2/3,-z+2/3 |
18_655 |
31 |
9 |
20699 |
304.0 |
0.7 |
0.693 |
0 |
1 |
0 |
0.000 |
| 5 |
8 |
|
[SO4]C:770 |
5 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
14 |
6 |
20714 |
100.4 |
-15.6 |
0.741 |
7 |
0 |
0 |
0.313 |
| 6 |
9 |
|
[SO4]A:750 |
5 |
1 |
187 |
f |
A |
x,y,z |
1_555 |
15 |
6 |
20699 |
99.4 |
-15.2 |
0.722 |
7 |
0 |
0 |
0.556 |
| 7 |
10 |
|
[SO4]B:760 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
13 |
6 |
20967 |
98.1 |
-15.0 |
0.729 |
7 |
0 |
0 |
0.182 |
| 8 |
11 |
|
[CD]C:704 |
1 |
1 |
112 |
f |
C |
x,y,z |
1_555 |
11 |
4 |
20714 |
66.9 |
-5.8 |
0.000 |
0 |
0 |
0 |
0.167 |
12 |
|
[CD]B:704 |
1 |
1 |
112 |
f |
B |
x,y,z |
1_555 |
12 |
5 |
20967 |
66.3 |
-5.5 |
0.000 |
0 |
0 |
0 |
0.167 |
13 |
|
[CD]A:704 |
1 |
1 |
112 |
cf |
A |
x,y,z |
1_555 |
11 |
4 |
20699 |
63.7 |
-5.5 |
0.000 |
0 |
0 |
0 |
0.167 |
| Average: |
65.6 |
-5.6 |
0.000 |
0 |
0 |
0 |
0.167 |
| 9 |
14 |
|
[CD]B:701 |
1 |
1 |
112 |
f |
B |
x,y,z |
1_555 |
10 |
5 |
20967 |
63.0 |
-8.0 |
0.000 |
0 |
0 |
0 |
0.150 |
15 |
|
[CD]C:701 |
1 |
1 |
112 |
f |
C |
x,y,z |
1_555 |
8 |
6 |
20714 |
61.3 |
-8.0 |
0.000 |
0 |
0 |
0 |
0.150 |
| Average: |
62.2 |
-8.0 |
0.000 |
0 |
0 |
0 |
0.150 |
| 10 |
16 |
|
[CD]A:705 |
1 |
1 |
112 |
f |
C |
-x+4/3,-x+y+2/3,-z+2/3 |
18_655 |
11 |
5 |
20714 |
54.1 |
-5.9 |
0.000 |
0 |
0 |
0 |
0.100 |
| 11 |
17 |
|
[CD]C:702 |
1 |
1 |
112 |
f |
C |
x,y,z |
1_555 |
10 |
4 |
20714 |
50.3 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.154 |
18 |
|
[CD]A:702 |
1 |
1 |
112 |
f |
A |
x,y,z |
1_555 |
10 |
3 |
20699 |
50.1 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.154 |
19 |
|
[CD]B:702 |
1 |
1 |
112 |
f |
B |
x,y,z |
1_555 |
10 |
4 |
20967 |
48.9 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.154 |
| Average: |
49.8 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.154 |
| 12 |
20 |
|
[CD]A:703 |
1 |
1 |
112 |
◊ |
A |
x,y,z |
1_555 |
8 |
4 |
20699 |
49.1 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.124 |
21 |
|
[CD]B:703 |
1 |
1 |
112 |
◊ |
B |
x,y,z |
1_555 |
9 |
4 |
20967 |
47.6 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.124 |
22 |
|
[CD]C:703 |
1 |
1 |
112 |
◊ |
C |
x,y,z |
1_555 |
6 |
2 |
20714 |
38.9 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.124 |
| Average: |
45.2 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.124 |
| 13 |
23 |
|
[SO4]B:760 |
4 |
1 |
186 |
◊ |
C |
x,y,z |
1_555 |
8 |
4 |
20714 |
48.9 |
-6.1 |
0.769 |
0 |
0 |
0 |
0.030 |
| 14 |
24 |
|
A |
5 |
2 |
20699 |
◊ |
A |
-x+4/3,-x+y+2/3,-z+2/3 |
18_655 |
5 |
2 |
20699 |
47.3 |
-0.2 |
0.534 |
0 |
0 |
0 |
0.000 |
| 15 |
25 |
|
[CD]C:707 |
1 |
1 |
112 |
f |
B |
-y+1,x-y,z |
2_655 |
5 |
2 |
20967 |
46.8 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.046 |
| 16 |
26 |
|
[SO4]A:750 |
4 |
1 |
187 |
◊ |
B |
x,y,z |
1_555 |
7 |
4 |
20967 |
46.5 |
-6.1 |
0.747 |
1 |
0 |
0 |
0.032 |
| 17 |
27 |
|
[SO4]C:770 |
4 |
1 |
186 |
◊ |
A |
x,y,z |
1_555 |
7 |
4 |
20699 |
45.0 |
-5.5 |
0.777 |
1 |
0 |
0 |
0.030 |
| 18 |
28 |
|
[CD]C:705 |
1 |
1 |
112 |
cf |
B |
-y+1,x-y,z |
2_655 |
5 |
3 |
20967 |
42.8 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.036 |
29 |
|
[CD]C:703 |
1 |
1 |
112 |
f |
B |
-y+1,x-y,z |
2_655 |
1 |
1 |
20967 |
2.5 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.036 |
| Average: |
22.6 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.036 |
| 19 |
30 |
|
[CD]C:705 |
1 |
1 |
112 |
◊ |
C |
x,y,z |
1_555 |
8 |
3 |
20714 |
42.7 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.041 |
| 20 |
31 |
|
[CD]C:706 |
1 |
1 |
112 |
◊ |
B |
-y+1,x-y,z |
2_655 |
4 |
2 |
20967 |
39.3 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.025 |
| 21 |
32 |
|
[CD]C:706 |
1 |
1 |
112 |
f |
C |
x,y,z |
1_555 |
3 |
1 |
20714 |
38.1 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.051 |
| 22 |
33 |
|
[CD]A:705 |
1 |
1 |
112 |
◊ |
A |
x,y,z |
1_555 |
4 |
2 |
20699 |
34.0 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.000 |
| 23 |
34 |
|
[CD]A:704 |
1 |
1 |
112 |
◊ |
C |
x,y,z |
1_555 |
4 |
2 |
20714 |
33.2 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.036 |
35 |
|
[CD]B:704 |
1 |
1 |
112 |
◊ |
A |
x,y,z |
1_555 |
4 |
2 |
20699 |
30.1 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.036 |
36 |
|
[CD]C:704 |
1 |
1 |
112 |
◊ |
B |
x,y,z |
1_555 |
4 |
2 |
20967 |
29.0 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.036 |
| Average: |
30.8 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.036 |
| 24 |
37 |
|
[CD]C:707 |
1 |
1 |
112 |
◊ |
C |
x,y,z |
1_555 |
2 |
1 |
20714 |
17.4 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.016 |
|