## |
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 |
|
B |
145 |
40 |
8632 |
◊ |
A |
x,y,z |
1_555 |
138 |
39 |
9303 |
1459.3 |
-24.9 |
0.022 |
14 |
8 |
0 |
0.285 |
2 |
2 |
|
A |
65 |
18 |
9303 |
◊ |
B |
x-1,y,z |
1_455 |
56 |
14 |
8632 |
538.6 |
-2.3 |
0.473 |
9 |
5 |
0 |
0.079 |
3 |
3 |
|
A |
36 |
8 |
9303 |
x |
A |
-x,y-1/2,-z+1/2 |
3_545 |
33 |
10 |
9303 |
323.2 |
-5.1 |
0.240 |
1 |
1 |
0 |
0.000 |
4 |
4 |
|
B |
27 |
7 |
8632 |
◊ |
A |
-x,y-1/2,-z+1/2 |
3_545 |
39 |
11 |
9303 |
285.8 |
-2.0 |
0.501 |
3 |
4 |
0 |
0.000 |
5 |
5 |
|
A |
19 |
5 |
9303 |
◊ |
B |
-x,y-1/2,-z+1/2 |
3_545 |
31 |
11 |
8632 |
262.9 |
-2.4 |
0.357 |
2 |
1 |
0 |
0.000 |
6 |
6 |
|
A |
18 |
7 |
9303 |
x |
A |
x-1/2,-y+1/2,-z+1 |
4_456 |
23 |
10 |
9303 |
160.2 |
0.4 |
0.725 |
3 |
1 |
0 |
0.000 |
7 |
7 |
|
A |
15 |
7 |
9303 |
◊ |
B |
x-1/2,-y+1/2,-z+1 |
4_456 |
15 |
5 |
8632 |
142.6 |
-0.5 |
0.537 |
1 |
0 |
0 |
0.000 |
8 |
8 |
|
B |
12 |
2 |
8632 |
x |
B |
-x+1,y-1/2,-z+1/2 |
3_645 |
16 |
4 |
8632 |
134.1 |
-1.2 |
0.462 |
1 |
2 |
0 |
0.000 |
9 |
9 |
|
A |
14 |
4 |
9303 |
x |
A |
x-1,y,z |
1_455 |
12 |
2 |
9303 |
134.1 |
0.4 |
0.735 |
3 |
1 |
0 |
0.000 |
10 |
10 |
|
[GOL]A:211 |
6 |
1 |
219 |
f |
A |
x,y,z |
1_555 |
26 |
10 |
9303 |
125.4 |
-1.0 |
0.520 |
3 |
0 |
0 |
0.026 |
11 |
11 |
|
[GOL]A:209 |
6 |
1 |
218 |
f |
A |
x,y,z |
1_555 |
25 |
14 |
9303 |
121.8 |
0.3 |
0.604 |
4 |
0 |
0 |
0.017 |
12 |
12 |
|
[GOL]A:210 |
6 |
1 |
219 |
f |
A |
x,y,z |
1_555 |
16 |
5 |
9303 |
101.9 |
-0.8 |
0.486 |
0 |
0 |
0 |
0.009 |
13 |
13 |
|
[SO4]B:202 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
13 |
7 |
8632 |
96.8 |
-15.0 |
0.806 |
6 |
0 |
0 |
0.196 |
14 |
14 |
|
[SO4]A:201 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
15 |
7 |
9303 |
92.8 |
-12.8 |
0.909 |
7 |
0 |
0 |
0.176 |
15 |
15 |
|
[IR3]A:206 |
1 |
1 |
133 |
f |
A |
x,y,z |
1_555 |
15 |
7 |
9303 |
76.1 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.045 |
16 |
16 |
|
[NI]B:208 |
1 |
1 |
115 |
f |
B |
x,y,z |
1_555 |
12 |
7 |
8632 |
69.0 |
-9.3 |
0.000 |
0 |
0 |
0 |
0.195 |
17 |
|
[NI]A:207 |
1 |
1 |
115 |
f |
A |
x,y,z |
1_555 |
14 |
8 |
9303 |
64.2 |
-8.3 |
0.000 |
0 |
0 |
0 |
0.195 |
Average: |
66.6 |
-8.8 |
0.000 |
0 |
0 |
0 |
0.195 |
17 |
18 |
|
A |
7 |
2 |
9303 |
◊ |
[GOL]A:210 |
-x,y-1/2,-z+1/2 |
3_545 |
6 |
1 |
219 |
59.1 |
1.0 |
0.731 |
0 |
0 |
0 |
0.000 |
18 |
19 |
|
[IR3]A:205 |
1 |
1 |
133 |
◊ |
A |
x,y,z |
1_555 |
6 |
3 |
9303 |
44.6 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.039 |
20 |
|
[IR3]B:204 |
1 |
1 |
133 |
◊ |
B |
x,y,z |
1_555 |
4 |
3 |
8632 |
41.4 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.039 |
Average: |
43.0 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.039 |
19 |
21 |
|
[IR3]B:204 |
1 |
1 |
133 |
◊ |
B |
x-1,y,z |
1_455 |
4 |
2 |
8632 |
38.9 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.012 |
20 |
22 |
|
B |
6 |
3 |
8632 |
f |
[IR3]A:203 |
-x,y-1/2,-z+1/2 |
3_545 |
1 |
1 |
133 |
38.0 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.028 |
21 |
23 |
|
[SO4]A:201 |
4 |
1 |
185 |
◊ |
B |
x-1,y,z |
1_455 |
8 |
4 |
8632 |
34.5 |
-4.6 |
0.738 |
0 |
0 |
0 |
0.051 |
22 |
24 |
|
[GOL]A:211 |
3 |
1 |
219 |
f |
[GOL]A:209 |
x,y,z |
1_555 |
4 |
1 |
218 |
31.5 |
0.1 |
0.602 |
1 |
0 |
0 |
0.003 |
23 |
25 |
|
B |
3 |
1 |
8632 |
◊ |
A |
-x+1/2,-y,z-1/2 |
2_554 |
4 |
2 |
9303 |
28.5 |
0.2 |
0.632 |
0 |
0 |
0 |
0.000 |
24 |
26 |
|
[IR3]A:205 |
1 |
1 |
133 |
f |
B |
x,y,z |
1_555 |
7 |
3 |
8632 |
27.7 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.022 |
27 |
|
[IR3]B:204 |
1 |
1 |
133 |
f |
A |
x,y,z |
1_555 |
7 |
3 |
9303 |
27.7 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.022 |
Average: |
27.7 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.022 |
25 |
28 |
|
A |
5 |
1 |
9303 |
◊ |
[IR3]A:205 |
x-1,y,z |
1_455 |
1 |
1 |
133 |
24.6 |
-1.4 |
0.000 |
0 |
0 |
0 |
0.015 |
26 |
29 |
|
B |
6 |
3 |
8632 |
x |
B |
x-1,y,z |
1_455 |
2 |
1 |
8632 |
24.3 |
1.1 |
0.847 |
1 |
1 |
0 |
0.000 |
27 |
30 |
|
[IR3]A:203 |
1 |
1 |
133 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
9303 |
23.8 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.000 |
28 |
31 |
|
[GOL]A:210 |
2 |
1 |
219 |
◊ |
B |
x,y,z |
1_555 |
5 |
2 |
8632 |
22.5 |
0.1 |
0.589 |
0 |
0 |
0 |
0.000 |
29 |
32 |
|
[GOL]A:211 |
3 |
1 |
219 |
f |
[IR3]A:206 |
x,y,z |
1_555 |
1 |
1 |
133 |
21.2 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.009 |
30 |
33 |
|
[IR3]A:203 |
1 |
1 |
133 |
◊ |
B |
x-1,y,z |
1_455 |
5 |
2 |
8632 |
20.9 |
-1.4 |
0.000 |
0 |
0 |
0 |
0.000 |
31 |
34 |
|
[NI]A:207 |
1 |
1 |
115 |
f |
[IR3]A:206 |
x,y,z |
1_555 |
1 |
1 |
133 |
18.6 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.031 |
32 |
35 |
|
[IR3]B:204 |
1 |
1 |
133 |
f |
[SO4]A:201 |
x,y,z |
1_555 |
2 |
1 |
185 |
18.5 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.035 |
33 |
36 |
|
[IR3]A:205 |
1 |
1 |
133 |
f |
[SO4]B:202 |
x,y,z |
1_555 |
2 |
1 |
186 |
18.2 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.034 |
34 |
37 |
|
[GOL]A:209 |
3 |
1 |
218 |
f |
[IR3]A:206 |
x,y,z |
1_555 |
1 |
1 |
133 |
14.3 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.006 |
35 |
38 |
|
B |
1 |
1 |
8632 |
◊ |
A |
-x+1,y-1/2,-z+1/2 |
3_645 |
2 |
1 |
9303 |
14.0 |
0.5 |
0.865 |
0 |
0 |
0 |
0.000 |
36 |
39 |
|
[GOL]A:209 |
1 |
1 |
218 |
f |
[NI]A:207 |
x,y,z |
1_555 |
1 |
1 |
115 |
11.9 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.011 |
37 |
40 |
|
[SO4]A:201 |
1 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
8632 |
5.5 |
-0.5 |
0.804 |
0 |
0 |
0 |
0.005 |
|