## |
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 |
136 |
32 |
12908 |
x |
B |
x,y,z |
1_555 |
161 |
44 |
12752 |
1418.2 |
-15.3 |
0.171 |
18 |
10 |
0 |
0.400 |
2 |
|
D |
165 |
45 |
12925 |
x |
B |
x,y,z |
1_555 |
133 |
31 |
12752 |
1410.7 |
-16.1 |
0.153 |
16 |
9 |
0 |
0.400 |
3 |
|
D |
136 |
32 |
12925 |
x |
C |
x,y,z |
1_555 |
158 |
45 |
12908 |
1401.5 |
-17.6 |
0.105 |
17 |
10 |
0 |
0.400 |
4 |
|
A |
160 |
44 |
12755 |
x |
A |
-y,x-y,z |
2_555 |
137 |
32 |
12755 |
1395.5 |
-17.5 |
0.114 |
17 |
10 |
0 |
0.400 |
Average: |
1406.5 |
-16.6 |
0.136 |
17 |
10 |
0 |
0.400 |
2 |
5 |
|
B |
60 |
22 |
12752 |
◊ |
A |
x,y,z |
1_555 |
60 |
21 |
12755 |
497.2 |
-3.6 |
0.474 |
7 |
0 |
0 |
0.000 |
3 |
6 |
|
C |
41 |
12 |
12908 |
◊ |
C |
x-y,-y,-z-1 |
5_554 |
41 |
12 |
12908 |
369.7 |
0.7 |
0.746 |
10 |
10 |
0 |
0.000 |
4 |
7 |
|
C |
18 |
5 |
12908 |
◊ |
B |
-x-2/3,-x+y-1/3,-z-1/3 |
18_444 |
20 |
5 |
12752 |
197.9 |
-5.4 |
0.057 |
2 |
0 |
1 |
0.075 |
8 |
|
D |
20 |
5 |
12925 |
◊ |
D |
-x-2/3,-x+y-1/3,-z-1/3 |
18_444 |
20 |
5 |
12925 |
185.6 |
-6.1 |
0.041 |
1 |
0 |
1 |
0.075 |
9 |
|
A |
18 |
5 |
12755 |
◊ |
A |
y,x,-z |
4_555 |
18 |
5 |
12755 |
167.8 |
-5.4 |
0.048 |
3 |
0 |
1 |
0.075 |
Average: |
183.8 |
-5.6 |
0.049 |
2 |
0 |
1 |
0.075 |
5 |
10 |
|
D |
6 |
2 |
12925 |
◊ |
D |
y,x,-z-1 |
4_554 |
6 |
2 |
12925 |
80.5 |
-2.9 |
0.041 |
0 |
0 |
0 |
0.000 |
6 |
11 |
|
[SO4]C:404 |
4 |
1 |
186 |
◊ |
C |
x,y,z |
1_555 |
6 |
3 |
12908 |
57.5 |
-6.4 |
0.839 |
0 |
0 |
0 |
0.033 |
7 |
12 |
|
[SO4]B:405 |
4 |
1 |
186 |
◊ |
B |
x,y,z |
1_555 |
5 |
2 |
12752 |
57.0 |
-6.3 |
0.845 |
0 |
0 |
0 |
0.033 |
8 |
13 |
|
[SO4]A:404 |
4 |
1 |
187 |
f |
A |
-y,x-y,z |
2_555 |
4 |
2 |
12755 |
56.7 |
-7.3 |
0.802 |
2 |
0 |
0 |
0.123 |
9 |
14 |
|
[SO4]C:404 |
4 |
1 |
186 |
f |
D |
x,y,z |
1_555 |
4 |
2 |
12925 |
54.5 |
-7.0 |
0.750 |
1 |
0 |
0 |
0.039 |
10 |
15 |
|
[SO4]A:404 |
4 |
1 |
187 |
◊ |
A |
x,y,z |
1_555 |
5 |
2 |
12755 |
54.0 |
-5.7 |
0.868 |
0 |
0 |
0 |
0.086 |
11 |
16 |
|
[SO4]D:404 |
4 |
1 |
187 |
◊ |
D |
x,y,z |
1_555 |
4 |
2 |
12925 |
53.9 |
-6.2 |
0.855 |
0 |
0 |
0 |
0.032 |
12 |
17 |
|
[SO4]D:404 |
4 |
1 |
187 |
f |
B |
x,y,z |
1_555 |
5 |
3 |
12752 |
53.7 |
-6.8 |
0.759 |
2 |
0 |
0 |
0.040 |
13 |
18 |
|
[SO4]B:405 |
4 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
4 |
2 |
12908 |
52.4 |
-6.7 |
0.728 |
1 |
0 |
0 |
0.037 |
14 |
19 |
|
[CU]B:402 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
7 |
4 |
12752 |
48.2 |
-7.2 |
0.000 |
0 |
0 |
0 |
0.119 |
20 |
|
[CU]D:402 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
7 |
4 |
12925 |
48.1 |
-8.0 |
0.000 |
0 |
0 |
0 |
0.119 |
21 |
|
[CU]C:402 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
7 |
4 |
12908 |
47.7 |
-7.2 |
0.000 |
0 |
0 |
0 |
0.119 |
22 |
|
[CU]A:402 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
7 |
4 |
12755 |
47.6 |
-7.9 |
0.000 |
0 |
0 |
0 |
0.119 |
Average: |
47.9 |
-7.6 |
0.000 |
0 |
0 |
0 |
0.119 |
15 |
23 |
|
[CU]C:402 |
1 |
1 |
125 |
◊ |
D |
x,y,z |
1_555 |
6 |
3 |
12925 |
42.6 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.084 |
24 |
|
[CU]B:402 |
1 |
1 |
125 |
◊ |
C |
x,y,z |
1_555 |
9 |
4 |
12908 |
42.6 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.084 |
25 |
|
[CU]A:402 |
1 |
1 |
125 |
◊ |
A |
-y,x-y,z |
2_555 |
8 |
4 |
12755 |
42.4 |
-5.5 |
0.000 |
0 |
0 |
0 |
0.084 |
26 |
|
[CU]D:402 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
7 |
3 |
12752 |
42.3 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.084 |
Average: |
42.5 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.084 |
16 |
27 |
|
[CU]B:403 |
1 |
1 |
125 |
◊ |
C |
x,y,z |
1_555 |
5 |
3 |
12908 |
39.9 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.066 |
28 |
|
[CU]B:403 |
1 |
1 |
125 |
◊ |
D |
x,y,z |
1_555 |
6 |
3 |
12925 |
39.6 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.066 |
29 |
|
[CU]B:403 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
6 |
3 |
12752 |
39.4 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.066 |
Average: |
39.6 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.066 |
17 |
30 |
|
[CA]B:404 |
1 |
1 |
85 |
f |
B |
x,y,z |
1_555 |
12 |
6 |
12752 |
34.4 |
-8.0 |
0.000 |
0 |
0 |
0 |
0.121 |
31 |
|
[CA]D:403 |
1 |
1 |
85 |
f |
D |
x,y,z |
1_555 |
12 |
6 |
12925 |
34.1 |
-7.7 |
0.000 |
0 |
0 |
0 |
0.121 |
32 |
|
[CA]A:403 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
11 |
6 |
12755 |
34.0 |
-8.0 |
0.000 |
0 |
0 |
0 |
0.121 |
33 |
|
[CA]C:403 |
1 |
1 |
85 |
f |
C |
x,y,z |
1_555 |
11 |
6 |
12908 |
33.8 |
-7.7 |
0.000 |
0 |
0 |
0 |
0.121 |
Average: |
34.1 |
-7.9 |
0.000 |
0 |
0 |
0 |
0.121 |
18 |
34 |
|
[CA]C:403 |
1 |
1 |
85 |
◊ |
D |
x,y,z |
1_555 |
7 |
3 |
12925 |
30.1 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.072 |
35 |
|
[CA]D:403 |
1 |
1 |
85 |
◊ |
B |
x,y,z |
1_555 |
5 |
3 |
12752 |
30.0 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.072 |
36 |
|
[CA]B:404 |
1 |
1 |
85 |
◊ |
C |
x,y,z |
1_555 |
5 |
3 |
12908 |
29.7 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.072 |
37 |
|
[CA]A:403 |
1 |
1 |
85 |
◊ |
A |
-y,x-y,z |
2_555 |
6 |
3 |
12755 |
29.4 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.072 |
Average: |
29.8 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.072 |
19 |
38 |
|
C |
5 |
2 |
12908 |
x |
C |
-y-1/3,x-y+1/3,z+1/3 |
8_455 |
5 |
3 |
12908 |
16.7 |
0.2 |
0.674 |
0 |
0 |
0 |
0.000 |
20 |
39 |
|
B |
1 |
1 |
12752 |
◊ |
C |
-y-1/3,x-y+1/3,z+1/3 |
8_455 |
1 |
1 |
12908 |
2.6 |
0.0 |
0.565 |
0 |
0 |
0 |
0.000 |
|