## |
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 |
|
A |
184 |
48 |
22428 |
◊ |
A |
-x+1,-y,z |
2_655 |
185 |
48 |
22428 |
1854.8 |
-16.6 |
0.167 |
22 |
6 |
0 |
0.242 |
2 |
|
B |
186 |
50 |
22440 |
◊ |
B |
-x+1,-y,z |
2_655 |
187 |
50 |
22440 |
1854.2 |
-16.5 |
0.187 |
20 |
10 |
0 |
0.242 |
Average: |
1854.5 |
-16.6 |
0.177 |
21 |
8 |
0 |
0.242 |
2 |
3 |
|
B |
81 |
24 |
22440 |
◊ |
A |
x,y,z |
1_555 |
74 |
27 |
22428 |
646.6 |
-2.2 |
0.652 |
2 |
3 |
0 |
0.035 |
3 |
4 |
|
A |
48 |
13 |
22428 |
x |
A |
x-1/2,-y+1/2,-z |
4_455 |
52 |
17 |
22428 |
459.0 |
2.7 |
0.834 |
8 |
5 |
0 |
0.000 |
4 |
5 |
|
A |
42 |
13 |
22428 |
◊ |
B |
-x+1,-y,z-1 |
2_654 |
43 |
13 |
22440 |
416.8 |
-1.3 |
0.614 |
5 |
0 |
0 |
0.000 |
5 |
6 |
|
B |
24 |
9 |
22440 |
x |
B |
-x+1/2,y-1/2,-z+1 |
3_546 |
16 |
4 |
22440 |
182.9 |
0.4 |
0.698 |
3 |
0 |
0 |
0.000 |
6 |
7 |
|
[NAG]B:553 |
12 |
1 |
362 |
cf |
B |
x,y,z |
1_555 |
23 |
8 |
22440 |
157.2 |
4.3 |
0.484 |
0 |
0 |
0 |
0.000 |
7 |
8 |
|
[NAG]A:553 |
12 |
1 |
363 |
cf |
A |
x,y,z |
1_555 |
21 |
7 |
22428 |
149.6 |
3.7 |
0.407 |
0 |
0 |
0 |
0.000 |
8 |
9 |
|
B |
11 |
4 |
22440 |
x |
B |
x-1/2,-y+1/2,-z+1 |
4_456 |
16 |
7 |
22440 |
124.7 |
-0.6 |
0.319 |
0 |
0 |
0 |
0.000 |
9 |
10 |
|
[AZI]A:559 |
3 |
1 |
159 |
f |
A |
x,y,z |
1_555 |
9 |
7 |
22428 |
71.9 |
0.3 |
0.505 |
0 |
0 |
0 |
0.000 |
10 |
11 |
|
[AZI]B:559 |
3 |
1 |
158 |
f |
B |
x,y,z |
1_555 |
8 |
7 |
22440 |
71.3 |
0.3 |
0.485 |
0 |
0 |
0 |
0.000 |
11 |
12 |
|
[AZI]A:560 |
3 |
1 |
160 |
f |
A |
x,y,z |
1_555 |
21 |
11 |
22428 |
58.2 |
-1.3 |
0.111 |
0 |
0 |
0 |
0.023 |
12 |
13 |
|
[AZI]B:560 |
3 |
1 |
160 |
f |
B |
x,y,z |
1_555 |
18 |
11 |
22440 |
57.0 |
-1.0 |
0.190 |
0 |
0 |
0 |
0.018 |
13 |
14 |
|
[CU]A:561 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
5 |
2 |
22428 |
48.7 |
-6.1 |
0.000 |
0 |
0 |
0 |
0.120 |
15 |
|
[CU]A:561 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
5 |
2 |
22440 |
47.8 |
-6.2 |
0.000 |
0 |
0 |
0 |
0.120 |
Average: |
48.3 |
-6.2 |
0.000 |
0 |
0 |
0 |
0.120 |
14 |
16 |
|
[CU]A:556 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
9 |
7 |
22428 |
40.2 |
-9.6 |
0.000 |
0 |
0 |
0 |
0.184 |
17 |
|
[CU]B:556 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
7 |
6 |
22440 |
38.9 |
-9.2 |
0.000 |
0 |
0 |
0 |
0.184 |
Average: |
39.5 |
-9.4 |
0.000 |
0 |
0 |
0 |
0.184 |
15 |
18 |
|
[OH]A:558 |
1 |
1 |
99 |
f |
A |
x,y,z |
1_555 |
10 |
8 |
22428 |
39.6 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.075 |
19 |
|
[OH]B:558 |
1 |
1 |
99 |
f |
B |
x,y,z |
1_555 |
9 |
7 |
22440 |
39.5 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.075 |
Average: |
39.5 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.075 |
16 |
20 |
|
[CU]A:557 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
9 |
5 |
22428 |
36.6 |
-8.2 |
0.000 |
0 |
0 |
0 |
0.148 |
21 |
|
[CU]B:557 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
8 |
5 |
22440 |
35.7 |
-7.0 |
0.000 |
0 |
0 |
0 |
0.148 |
Average: |
36.1 |
-7.6 |
0.000 |
0 |
0 |
0 |
0.148 |
17 |
22 |
|
[CU]A:555 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
8 |
7 |
22428 |
34.0 |
-7.8 |
0.000 |
0 |
0 |
0 |
0.156 |
23 |
|
[CU]B:555 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
7 |
6 |
22440 |
33.6 |
-8.2 |
0.000 |
0 |
0 |
0 |
0.156 |
Average: |
33.8 |
-8.0 |
0.000 |
0 |
0 |
0 |
0.156 |
18 |
24 |
|
B |
4 |
2 |
22440 |
◊ |
A |
-x+1,-y,z |
2_655 |
4 |
2 |
22428 |
33.4 |
1.4 |
0.929 |
0 |
0 |
0 |
0.000 |
19 |
25 |
|
[AZI]B:559 |
2 |
1 |
158 |
f |
[CU]B:555 |
x,y,z |
1_555 |
1 |
1 |
125 |
25.2 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.085 |
26 |
|
[AZI]A:559 |
2 |
1 |
159 |
f |
[CU]A:555 |
x,y,z |
1_555 |
1 |
1 |
125 |
24.6 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.085 |
27 |
|
[AZI]A:560 |
3 |
1 |
160 |
f |
[CU]A:555 |
x,y,z |
1_555 |
1 |
1 |
125 |
24.0 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.085 |
28 |
|
[AZI]B:560 |
3 |
1 |
160 |
f |
[CU]B:555 |
x,y,z |
1_555 |
1 |
1 |
125 |
23.3 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.085 |
Average: |
24.3 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.085 |
20 |
29 |
|
[OH]A:558 |
1 |
1 |
99 |
f |
[CU]A:557 |
x,y,z |
1_555 |
1 |
1 |
125 |
23.3 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.058 |
21 |
30 |
|
A |
3 |
2 |
22428 |
◊ |
B |
x,y,z-1 |
1_554 |
4 |
2 |
22440 |
23.2 |
-0.7 |
0.262 |
0 |
0 |
0 |
0.000 |
22 |
31 |
|
[OH]B:558 |
1 |
1 |
99 |
f |
[CU]B:557 |
x,y,z |
1_555 |
1 |
1 |
125 |
22.5 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.058 |
23 |
32 |
|
[AZI]B:560 |
3 |
1 |
160 |
f |
[CU]B:556 |
x,y,z |
1_555 |
1 |
1 |
125 |
19.9 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.038 |
24 |
33 |
|
[AZI]A:560 |
3 |
1 |
160 |
f |
[CU]A:556 |
x,y,z |
1_555 |
1 |
1 |
125 |
18.6 |
-1.9 |
0.000 |
0 |
0 |
0 |
0.033 |
25 |
34 |
|
[CU]A:557 |
1 |
1 |
125 |
f |
[CU]A:556 |
x,y,z |
1_555 |
1 |
1 |
125 |
15.7 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.054 |
26 |
35 |
|
[CU]B:557 |
1 |
1 |
125 |
f |
[CU]B:556 |
x,y,z |
1_555 |
1 |
1 |
125 |
15.7 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.057 |
27 |
36 |
|
[AZI]A:560 |
3 |
1 |
160 |
f |
[AZI]A:559 |
x,y,z |
1_555 |
2 |
1 |
159 |
12.8 |
0.0 |
0.192 |
0 |
0 |
0 |
0.000 |
28 |
37 |
|
[AZI]B:560 |
1 |
1 |
160 |
f |
[CU]B:557 |
x,y,z |
1_555 |
1 |
1 |
125 |
12.8 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.022 |
29 |
38 |
|
[AZI]B:560 |
2 |
1 |
160 |
f |
[AZI]B:559 |
x,y,z |
1_555 |
2 |
1 |
158 |
12.5 |
0.0 |
0.333 |
0 |
0 |
0 |
0.000 |
30 |
39 |
|
[AZI]A:560 |
1 |
1 |
160 |
f |
[CU]A:557 |
x,y,z |
1_555 |
1 |
1 |
125 |
12.0 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.020 |
40 |
|
[AZI]B:559 |
1 |
1 |
158 |
f |
[CU]B:557 |
x,y,z |
1_555 |
1 |
1 |
125 |
0.9 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.020 |
Average: |
6.5 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.020 |
31 |
41 |
|
[CU]B:557 |
1 |
1 |
125 |
f |
[CU]B:555 |
x,y,z |
1_555 |
1 |
1 |
125 |
9.0 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.032 |
32 |
42 |
|
[CU]A:557 |
1 |
1 |
125 |
f |
[CU]A:555 |
x,y,z |
1_555 |
1 |
1 |
125 |
8.8 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.030 |
33 |
43 |
|
[CU]B:556 |
1 |
1 |
125 |
f |
[CU]B:555 |
x,y,z |
1_555 |
1 |
1 |
125 |
7.1 |
-1.4 |
0.000 |
0 |
0 |
0 |
0.026 |
34 |
44 |
|
[CU]A:556 |
1 |
1 |
125 |
f |
[CU]A:555 |
x,y,z |
1_555 |
1 |
1 |
125 |
6.5 |
-1.3 |
0.000 |
0 |
0 |
0 |
0.023 |
35 |
45 |
|
[NAG]A:553 |
1 |
1 |
363 |
◊ |
A |
-x+1,-y,z |
2_655 |
1 |
1 |
22428 |
3.9 |
0.2 |
0.352 |
0 |
0 |
0 |
0.000 |
36 |
46 |
|
[OH]B:558 |
1 |
1 |
99 |
f |
[CU]B:556 |
x,y,z |
1_555 |
1 |
1 |
125 |
3.3 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.009 |
37 |
47 |
|
[OH]A:558 |
1 |
1 |
99 |
f |
[CU]A:556 |
x,y,z |
1_555 |
1 |
1 |
125 |
2.8 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.007 |
|