| ## |
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 |
125 |
33 |
10168 |
◊ |
A |
x,y,z |
1_555 |
124 |
34 |
10259 |
1184.5 |
-16.1 |
0.222 |
6 |
4 |
0 |
0.212 |
| 2 |
2 |
|
[5AU]A:302 |
40 |
1 |
913 |
f |
A |
x,y,z |
1_555 |
65 |
21 |
10259 |
475.3 |
-11.0 |
0.654 |
8 |
0 |
0 |
0.316 |
3 |
|
[5AU]B:303 |
38 |
1 |
929 |
f |
B |
x,y,z |
1_555 |
65 |
20 |
10168 |
474.6 |
-11.2 |
0.615 |
7 |
0 |
0 |
0.316 |
| Average: |
474.9 |
-11.1 |
0.634 |
8 |
0 |
0 |
0.316 |
| 3 |
4 |
|
A |
41 |
14 |
10259 |
◊ |
A |
-x+1,y,-z+3 |
2_658 |
42 |
14 |
10259 |
424.4 |
-1.8 |
0.673 |
1 |
0 |
0 |
0.000 |
| 4 |
5 |
|
A |
29 |
9 |
10259 |
◊ |
B |
-x+1/2,y-1/2,-z+2 |
4_547 |
28 |
9 |
10168 |
278.8 |
-4.2 |
0.294 |
0 |
0 |
0 |
0.000 |
| 5 |
6 |
|
[GSH]A:303 |
20 |
1 |
510 |
f |
A |
x,y,z |
1_555 |
40 |
14 |
10259 |
216.0 |
-1.3 |
0.777 |
6 |
0 |
0 |
0.094 |
7 |
|
[GSH]B:304 |
20 |
1 |
506 |
f |
B |
x,y,z |
1_555 |
42 |
15 |
10168 |
215.1 |
-1.9 |
0.755 |
6 |
0 |
0 |
0.094 |
| Average: |
215.6 |
-1.6 |
0.766 |
6 |
0 |
0 |
0.094 |
| 6 |
8 |
|
A |
24 |
7 |
10259 |
◊ |
B |
-x+1/2,y-1/2,-z+3 |
4_548 |
22 |
11 |
10168 |
214.2 |
-2.8 |
0.386 |
1 |
0 |
0 |
0.000 |
| 7 |
9 |
|
[GSH]B:304 |
20 |
1 |
506 |
f |
[5AU]B:303 |
x,y,z |
1_555 |
26 |
1 |
929 |
198.7 |
-5.4 |
0.764 |
2 |
0 |
0 |
0.125 |
10 |
|
[GSH]A:303 |
19 |
1 |
510 |
f |
[5AU]A:302 |
x,y,z |
1_555 |
28 |
1 |
913 |
197.1 |
-4.3 |
0.802 |
2 |
0 |
0 |
0.125 |
| Average: |
197.9 |
-4.8 |
0.783 |
2 |
0 |
0 |
0.125 |
| 8 |
11 |
|
B |
16 |
6 |
10168 |
◊ |
B |
-x+1,y,-z+3 |
2_658 |
16 |
6 |
10168 |
165.1 |
3.8 |
0.980 |
2 |
0 |
0 |
0.000 |
| 9 |
12 |
|
[MES]A:301 |
11 |
1 |
338 |
◊ |
A |
x,y,z |
1_555 |
28 |
10 |
10259 |
155.9 |
4.5 |
0.242 |
0 |
0 |
0 |
0.000 |
| 10 |
13 |
|
[MES]B:301 |
10 |
1 |
339 |
f |
B |
x,y,z |
1_555 |
30 |
11 |
10168 |
151.9 |
4.2 |
0.272 |
0 |
0 |
0 |
0.000 |
| 11 |
14 |
|
B |
19 |
7 |
10168 |
◊ |
B |
-x,y,-z+2 |
2_557 |
18 |
7 |
10168 |
147.1 |
-1.7 |
0.491 |
0 |
0 |
0 |
0.000 |
| 12 |
15 |
|
B |
9 |
3 |
10168 |
◊ |
A |
-x+1,y,-z+3 |
2_658 |
7 |
2 |
10259 |
80.7 |
0.2 |
0.735 |
1 |
0 |
0 |
0.000 |
| 13 |
16 |
|
[5AU]A:302 |
6 |
1 |
913 |
◊ |
B |
x,y,z |
1_555 |
7 |
4 |
10168 |
66.1 |
1.4 |
0.931 |
3 |
0 |
0 |
0.000 |
17 |
|
[5AU]B:303 |
6 |
1 |
929 |
◊ |
A |
x,y,z |
1_555 |
7 |
4 |
10259 |
65.7 |
1.0 |
0.883 |
2 |
0 |
0 |
0.000 |
| Average: |
65.9 |
1.2 |
0.907 |
3 |
0 |
0 |
0.000 |
| 14 |
18 |
|
B |
7 |
4 |
10168 |
◊ |
B |
-x+1,y,-z+2 |
2_657 |
7 |
4 |
10168 |
65.1 |
-1.4 |
0.291 |
0 |
0 |
0 |
0.000 |
| 15 |
19 |
|
A |
8 |
3 |
10259 |
◊ |
A |
-x,y,-z+2 |
2_557 |
8 |
3 |
10259 |
63.6 |
0.8 |
0.824 |
0 |
0 |
0 |
0.000 |
| 16 |
20 |
|
[SO4]B:302 |
4 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
10 |
3 |
10168 |
57.6 |
-7.8 |
0.801 |
2 |
0 |
0 |
0.095 |
| 17 |
21 |
|
[SO4]B:302 |
4 |
1 |
186 |
f |
[MES]B:301 |
x,y,z |
1_555 |
7 |
1 |
339 |
52.2 |
-5.4 |
0.070 |
0 |
0 |
0 |
0.059 |
| 18 |
22 |
|
A |
8 |
3 |
10259 |
◊ |
[MES]B:301 |
-x+1/2,y-1/2,-z+2 |
4_547 |
4 |
1 |
339 |
51.5 |
1.1 |
0.278 |
0 |
0 |
0 |
0.000 |
| 19 |
23 |
|
[MES]A:301 |
3 |
1 |
338 |
f |
B |
-x+1/2,y-1/2,-z+3 |
4_548 |
6 |
2 |
10168 |
46.3 |
1.3 |
0.426 |
0 |
0 |
0 |
0.000 |
| 20 |
24 |
|
[CA]B:305 |
1 |
1 |
85 |
f |
B |
x,y,z |
1_555 |
6 |
5 |
10168 |
44.8 |
-9.0 |
0.000 |
0 |
0 |
0 |
0.099 |
| 21 |
25 |
|
A |
3 |
1 |
10259 |
◊ |
B |
x-1/2,y-1/2,z |
3_445 |
5 |
2 |
10168 |
40.8 |
-0.2 |
0.447 |
0 |
0 |
0 |
0.000 |
| 22 |
26 |
|
[CA]B:306 |
1 |
1 |
85 |
◊ |
B |
x,y,z |
1_555 |
6 |
3 |
10168 |
29.9 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.000 |
| 23 |
27 |
|
A |
4 |
2 |
10259 |
f |
[CA]B:306 |
-x+1/2,y-1/2,-z+2 |
4_547 |
1 |
1 |
85 |
29.8 |
-5.3 |
0.000 |
0 |
0 |
0 |
0.058 |
| 24 |
28 |
|
[GSH]A:303 |
3 |
1 |
510 |
◊ |
B |
x,y,z |
1_555 |
4 |
2 |
10168 |
29.7 |
0.3 |
0.729 |
1 |
0 |
0 |
0.004 |
29 |
|
[GSH]B:304 |
3 |
1 |
506 |
◊ |
A |
x,y,z |
1_555 |
4 |
2 |
10259 |
28.9 |
0.2 |
0.726 |
1 |
0 |
0 |
0.004 |
| Average: |
29.3 |
0.3 |
0.728 |
1 |
0 |
0 |
0.004 |
| 25 |
30 |
|
B |
4 |
2 |
10168 |
◊ |
A |
x-1/2,y+1/2,z |
3_455 |
2 |
1 |
10259 |
29.3 |
-0.6 |
0.286 |
0 |
0 |
0 |
0.000 |
|