| ## |
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 |
293 |
88 |
12467 |
◊ |
D |
-y,-x+1,-z+1/2 |
8_565 |
304 |
84 |
12547 |
2302.7 |
-18.2 |
0.637 |
59 |
6 |
0 |
0.000 |
2 |
|
A |
305 |
86 |
12399 |
◊ |
C |
-y,-x+1,-z+1/2 |
8_565 |
288 |
85 |
12527 |
2235.0 |
-18.2 |
0.630 |
56 |
4 |
0 |
0.000 |
| Average: |
2268.9 |
-18.2 |
0.634 |
58 |
5 |
0 |
0.000 |
| 2 |
3 |
|
C |
296 |
80 |
12527 |
◊ |
B |
y,x,-z |
7_555 |
274 |
78 |
12467 |
2111.8 |
-11.1 |
0.799 |
63 |
4 |
0 |
0.000 |
| 3 |
4 |
|
D |
213 |
62 |
12547 |
◊ |
A |
y,x,-z |
7_555 |
214 |
60 |
12399 |
1858.4 |
-18.9 |
0.380 |
41 |
2 |
0 |
0.000 |
| 4 |
5 |
|
B |
197 |
58 |
12467 |
◊ |
C |
x-1/2,-y+1/2,-z+1/4 |
6_455 |
203 |
62 |
12527 |
1452.5 |
-10.8 |
0.668 |
35 |
16 |
0 |
0.000 |
| 5 |
6 |
|
A |
100 |
26 |
12399 |
◊ |
C |
x-1/2,-y+1/2,-z+1/4 |
6_455 |
100 |
35 |
12527 |
805.7 |
-5.2 |
0.614 |
14 |
1 |
0 |
0.000 |
7 |
|
B |
98 |
34 |
12467 |
◊ |
D |
x-1/2,-y+1/2,-z+1/4 |
6_455 |
94 |
25 |
12547 |
767.2 |
-6.7 |
0.524 |
19 |
0 |
0 |
0.000 |
| Average: |
786.4 |
-6.0 |
0.569 |
17 |
1 |
0 |
0.000 |
| 6 |
8 |
|
C |
79 |
23 |
12527 |
◊ |
C |
y,x,-z |
7_555 |
78 |
23 |
12527 |
722.3 |
-3.8 |
0.630 |
8 |
0 |
0 |
0.000 |
| 7 |
9 |
|
D |
76 |
20 |
12547 |
◊ |
D |
y+1,x-1,-z |
7_645 |
76 |
20 |
12547 |
639.8 |
-3.9 |
0.650 |
6 |
0 |
0 |
0.000 |
| 8 |
10 |
|
A |
57 |
16 |
12399 |
◊ |
D |
x-1,y+1,z |
1_465 |
61 |
17 |
12547 |
489.7 |
-4.0 |
0.495 |
2 |
3 |
0 |
0.000 |
11 |
|
A |
55 |
17 |
12399 |
◊ |
B |
-y,-x+1,-z+1/2 |
8_565 |
54 |
14 |
12467 |
468.5 |
-3.6 |
0.529 |
4 |
5 |
0 |
0.000 |
12 |
|
C |
52 |
16 |
12527 |
◊ |
B |
x,y,z |
1_555 |
58 |
18 |
12467 |
451.9 |
-2.7 |
0.460 |
4 |
6 |
0 |
0.000 |
| Average: |
470.0 |
-3.4 |
0.495 |
3 |
5 |
0 |
0.000 |
| 9 |
13 |
|
A |
55 |
17 |
12399 |
◊ |
A |
-y+1/2,x+1/2,z-1/4 |
3_554 |
54 |
17 |
12399 |
430.1 |
-2.4 |
0.614 |
5 |
0 |
0 |
0.000 |
14 |
|
D |
57 |
17 |
12547 |
◊ |
D |
-y+1/2,x-1/2,z-1/4 |
3_544 |
52 |
17 |
12547 |
422.2 |
-2.6 |
0.595 |
3 |
0 |
0 |
0.000 |
15 |
|
C |
52 |
16 |
12527 |
◊ |
C |
-y+1/2,x-1/2,z-1/4 |
3_544 |
56 |
17 |
12527 |
372.2 |
-1.8 |
0.652 |
3 |
0 |
0 |
0.000 |
16 |
|
B |
57 |
18 |
12467 |
◊ |
B |
-y+1/2,x+1/2,z-1/4 |
3_554 |
50 |
17 |
12467 |
362.6 |
-2.7 |
0.554 |
4 |
0 |
0 |
0.000 |
| Average: |
396.8 |
-2.4 |
0.604 |
4 |
0 |
0 |
0.000 |
| 10 |
17 |
|
[P6G]A:302 |
18 |
1 |
526 |
◊ |
A |
x,y,z |
1_555 |
36 |
11 |
12399 |
271.9 |
4.0 |
0.580 |
1 |
0 |
0 |
0.000 |
18 |
|
[P6G]B:302 |
18 |
1 |
523 |
◊ |
B |
x,y,z |
1_555 |
36 |
10 |
12467 |
193.8 |
3.0 |
0.612 |
1 |
0 |
0 |
0.000 |
| Average: |
232.8 |
3.5 |
0.596 |
1 |
0 |
0 |
0.000 |
| 11 |
19 |
|
A |
32 |
16 |
12399 |
◊ |
D |
x-1/2,-y+1/2,-z+1/4 |
6_455 |
32 |
15 |
12547 |
247.4 |
-3.2 |
0.401 |
2 |
0 |
0 |
0.000 |
| 12 |
20 |
|
B |
27 |
10 |
12467 |
◊ |
A |
-y+1/2,x+1/2,z-1/4 |
3_554 |
25 |
10 |
12399 |
192.9 |
0.5 |
0.854 |
4 |
0 |
0 |
0.000 |
21 |
|
C |
24 |
10 |
12527 |
◊ |
D |
-y+1/2,x-1/2,z-1/4 |
3_544 |
26 |
10 |
12547 |
175.8 |
-0.3 |
0.712 |
2 |
0 |
0 |
0.000 |
| Average: |
184.4 |
0.1 |
0.783 |
3 |
0 |
0 |
0.000 |
| 13 |
22 |
|
[P6G]B:302 |
19 |
1 |
523 |
c |
C |
x-1/2,-y+1/2,-z+1/4 |
6_455 |
26 |
10 |
12527 |
181.0 |
-0.6 |
0.238 |
1 |
0 |
0 |
0.000 |
| 14 |
23 |
|
[P6G]A:302 |
9 |
1 |
526 |
◊ |
A |
-y+1/2,x+1/2,z-1/4 |
3_554 |
12 |
4 |
12399 |
83.5 |
-1.4 |
0.239 |
1 |
0 |
0 |
0.000 |
24 |
|
B |
13 |
4 |
12467 |
◊ |
[P6G]B:302 |
-y+1/2,x+1/2,z-1/4 |
3_554 |
8 |
1 |
523 |
58.9 |
-1.0 |
0.231 |
1 |
0 |
0 |
0.000 |
| Average: |
71.2 |
-1.2 |
0.235 |
1 |
0 |
0 |
0.000 |
| 15 |
25 |
|
[SO4]A:303 |
5 |
1 |
186 |
◊ |
A |
x,y,z |
1_555 |
17 |
9 |
12399 |
82.3 |
-11.5 |
0.694 |
3 |
0 |
0 |
0.000 |
| 16 |
26 |
|
[FE2]D:300 |
1 |
1 |
137 |
◊ |
D |
x,y,z |
1_555 |
12 |
8 |
12547 |
75.8 |
-15.0 |
0.000 |
0 |
0 |
0 |
0.000 |
27 |
|
[FE2]A:301 |
1 |
1 |
137 |
◊ |
A |
x,y,z |
1_555 |
13 |
9 |
12399 |
74.4 |
-14.3 |
0.000 |
0 |
0 |
0 |
0.000 |
28 |
|
[FE2]B:301 |
1 |
1 |
137 |
◊ |
B |
x,y,z |
1_555 |
13 |
8 |
12467 |
60.3 |
-12.4 |
0.000 |
0 |
0 |
0 |
0.000 |
29 |
|
[FE2]C:300 |
1 |
1 |
137 |
◊ |
C |
x,y,z |
1_555 |
12 |
8 |
12527 |
59.6 |
-12.1 |
0.000 |
0 |
0 |
0 |
0.000 |
| Average: |
67.5 |
-13.5 |
0.000 |
0 |
0 |
0 |
0.000 |
| 17 |
30 |
|
[SO4]A:303 |
5 |
1 |
186 |
c |
D |
y,x,-z |
7_555 |
14 |
6 |
12547 |
75.6 |
-9.4 |
0.840 |
0 |
0 |
0 |
0.000 |
| 18 |
31 |
|
[SO4]B:303 |
5 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
18 |
9 |
12467 |
74.2 |
-9.8 |
0.702 |
3 |
0 |
0 |
0.000 |
| 19 |
32 |
|
B |
7 |
5 |
12467 |
◊ |
A |
-x,-y+1,z-1/2 |
2_564 |
12 |
6 |
12399 |
62.1 |
-1.6 |
0.099 |
0 |
0 |
0 |
0.000 |
33 |
|
C |
10 |
6 |
12527 |
◊ |
D |
-x+1,-y,z-1/2 |
2_654 |
12 |
6 |
12547 |
61.0 |
-1.9 |
0.098 |
2 |
0 |
0 |
0.000 |
| Average: |
61.6 |
-1.7 |
0.098 |
1 |
0 |
0 |
0.000 |
| 20 |
34 |
|
D |
5 |
2 |
12547 |
◊ |
C |
x,y,z |
1_555 |
5 |
2 |
12527 |
58.2 |
-0.9 |
0.305 |
0 |
0 |
0 |
0.000 |
35 |
|
B |
5 |
2 |
12467 |
◊ |
A |
x,y,z |
1_555 |
5 |
2 |
12399 |
56.7 |
-0.8 |
0.333 |
0 |
0 |
0 |
0.000 |
| Average: |
57.5 |
-0.8 |
0.319 |
0 |
0 |
0 |
0.000 |
| 21 |
36 |
|
[SO4]B:303 |
5 |
1 |
185 |
c |
D |
-y,-x+1,-z+1/2 |
8_565 |
11 |
4 |
12547 |
48.1 |
-7.6 |
0.647 |
0 |
0 |
0 |
0.000 |
| 22 |
37 |
|
[P6G]A:302 |
4 |
1 |
526 |
◊ |
C |
x-1/2,-y+1/2,-z+1/4 |
6_455 |
5 |
2 |
12527 |
40.3 |
0.2 |
0.510 |
0 |
0 |
0 |
0.000 |
| 23 |
38 |
|
[SO4]B:303 |
4 |
1 |
185 |
◊ |
D |
x-1/2,-y+1/2,-z+1/4 |
6_455 |
7 |
2 |
12547 |
34.1 |
-4.1 |
0.709 |
1 |
0 |
0 |
0.000 |
| 24 |
39 |
|
A |
5 |
3 |
12399 |
◊ |
[FE2]C:300 |
-y,-x+1,-z+1/2 |
8_565 |
1 |
1 |
137 |
24.1 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.000 |
40 |
|
[FE2]B:301 |
1 |
1 |
137 |
◊ |
D |
-y,-x+1,-z+1/2 |
8_565 |
5 |
3 |
12547 |
22.9 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.000 |
| Average: |
23.5 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.000 |
| 25 |
41 |
|
[FE2]C:300 |
1 |
1 |
137 |
◊ |
B |
y,x,-z |
7_555 |
4 |
1 |
12467 |
10.9 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.000 |
42 |
|
[FE2]B:301 |
1 |
1 |
137 |
◊ |
C |
y,x,-z |
7_555 |
3 |
1 |
12527 |
8.4 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.000 |
| Average: |
9.7 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.000 |
| 26 |
43 |
|
A |
2 |
1 |
12399 |
◊ |
B |
-y+1/2,x+1/2,z-1/4 |
3_554 |
1 |
1 |
12467 |
3.8 |
-0.1 |
0.408 |
0 |
0 |
0 |
0.000 |
44 |
|
D |
2 |
1 |
12547 |
◊ |
C |
-y+1/2,x-1/2,z-1/4 |
3_544 |
1 |
1 |
12527 |
2.8 |
-0.1 |
0.443 |
0 |
0 |
0 |
0.000 |
| Average: |
3.3 |
-0.1 |
0.425 |
0 |
0 |
0 |
0.000 |
|