| ## |
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 |
|
D |
143 |
35 |
10990 |
◊ |
B |
x,y,z |
1_555 |
133 |
35 |
14068 |
1374.1 |
-20.5 |
0.129 |
11 |
5 |
0 |
0.572 |
2 |
|
C |
144 |
37 |
10973 |
◊ |
A |
x,y,z |
1_555 |
140 |
38 |
14169 |
1365.9 |
-22.0 |
0.066 |
12 |
4 |
0 |
0.572 |
| Average: |
1370.0 |
-21.2 |
0.098 |
12 |
5 |
0 |
0.572 |
| 2 |
3 |
|
C |
80 |
20 |
10973 |
◊ |
B |
x,y,z |
1_555 |
77 |
24 |
14068 |
699.8 |
-6.4 |
0.354 |
7 |
3 |
0 |
0.000 |
4 |
|
D |
75 |
21 |
10990 |
◊ |
A |
x-1,y,z |
1_455 |
69 |
21 |
14169 |
639.9 |
-6.3 |
0.337 |
5 |
0 |
0 |
0.000 |
| Average: |
669.8 |
-6.3 |
0.346 |
6 |
2 |
0 |
0.000 |
| 3 |
5 |
|
B |
51 |
19 |
14068 |
◊ |
C |
x-1,y,z |
1_455 |
54 |
16 |
10973 |
440.9 |
-3.6 |
0.586 |
4 |
2 |
0 |
0.000 |
6 |
|
D |
43 |
13 |
10990 |
◊ |
A |
x,y,z |
1_555 |
43 |
16 |
14169 |
376.1 |
-1.6 |
0.720 |
3 |
3 |
0 |
0.000 |
| Average: |
408.5 |
-2.6 |
0.653 |
4 |
3 |
0 |
0.000 |
| 4 |
7 |
|
[ATP]B:402 |
31 |
1 |
619 |
f |
B |
x,y,z |
1_555 |
69 |
24 |
14068 |
414.9 |
-4.2 |
0.505 |
8 |
0 |
0 |
0.171 |
8 |
|
[ATP]A:402 |
31 |
1 |
625 |
f |
A |
x,y,z |
1_555 |
65 |
24 |
14169 |
411.0 |
-4.5 |
0.425 |
8 |
0 |
0 |
0.171 |
| Average: |
412.9 |
-4.4 |
0.465 |
8 |
0 |
0 |
0.171 |
| 5 |
9 |
|
B |
43 |
13 |
14068 |
◊ |
A |
x-1,y-1,z |
1_445 |
42 |
13 |
14169 |
373.6 |
-6.3 |
0.241 |
1 |
1 |
0 |
0.000 |
| 6 |
10 |
|
D |
32 |
10 |
10990 |
◊ |
C |
x-1,y-1,z-1 |
1_444 |
40 |
18 |
10973 |
263.6 |
0.2 |
0.827 |
4 |
1 |
0 |
0.000 |
| 7 |
11 |
|
A |
29 |
7 |
14169 |
◊ |
C |
x,y,z-1 |
1_554 |
24 |
8 |
10973 |
234.5 |
-1.3 |
0.624 |
1 |
0 |
0 |
0.000 |
| 8 |
12 |
|
[PEG]C:302 |
7 |
1 |
265 |
f |
C |
x,y,z |
1_555 |
24 |
8 |
10973 |
135.8 |
3.2 |
0.377 |
1 |
0 |
0 |
0.000 |
| 9 |
13 |
|
[GOL]C:301 |
6 |
1 |
217 |
f |
C |
x,y,z |
1_555 |
17 |
8 |
10973 |
116.3 |
-0.5 |
0.567 |
5 |
0 |
0 |
0.053 |
| 10 |
14 |
|
[PEG]D:301 |
6 |
1 |
263 |
◊ |
D |
x,y,z |
1_555 |
13 |
6 |
10990 |
109.5 |
2.6 |
0.400 |
0 |
0 |
0 |
0.000 |
| 11 |
15 |
|
[ACT]B:403 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
12 |
4 |
14068 |
89.0 |
-0.4 |
0.580 |
0 |
0 |
0 |
0.008 |
| 12 |
16 |
|
[ACT]A:403 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
9 |
6 |
14169 |
70.9 |
-1.1 |
0.426 |
0 |
0 |
0 |
0.021 |
| 13 |
17 |
|
[PEG]D:301 |
5 |
1 |
263 |
f |
B |
x,y,z |
1_555 |
9 |
6 |
14068 |
65.3 |
1.3 |
0.275 |
0 |
0 |
0 |
0.000 |
| 14 |
18 |
|
[FE]A:401 |
1 |
1 |
137 |
f |
A |
x,y,z |
1_555 |
10 |
6 |
14169 |
53.5 |
-8.6 |
0.000 |
0 |
0 |
0 |
0.180 |
19 |
|
[FE]B:401 |
1 |
1 |
137 |
f |
B |
x,y,z |
1_555 |
14 |
8 |
14068 |
52.9 |
-8.2 |
0.000 |
0 |
0 |
0 |
0.180 |
| Average: |
53.2 |
-8.4 |
0.000 |
0 |
0 |
0 |
0.180 |
| 15 |
20 |
|
D |
5 |
2 |
10990 |
◊ |
B |
x,y,z-1 |
1_554 |
8 |
2 |
14068 |
53.2 |
-0.9 |
0.375 |
0 |
0 |
0 |
0.000 |
| 16 |
21 |
|
[ATP]A:402 |
5 |
1 |
625 |
f |
[FE]A:401 |
x,y,z |
1_555 |
1 |
1 |
137 |
47.3 |
-6.5 |
0.000 |
0 |
0 |
0 |
0.148 |
22 |
|
[ATP]B:402 |
6 |
1 |
619 |
f |
[FE]B:401 |
x,y,z |
1_555 |
1 |
1 |
137 |
47.2 |
-6.8 |
0.000 |
0 |
0 |
0 |
0.148 |
| Average: |
47.2 |
-6.6 |
0.000 |
0 |
0 |
0 |
0.148 |
| 17 |
23 |
|
[ACT]A:403 |
3 |
1 |
184 |
◊ |
C |
x,y,z |
1_555 |
4 |
3 |
10973 |
38.5 |
-0.6 |
0.510 |
0 |
0 |
0 |
0.012 |
| 18 |
24 |
|
D |
6 |
3 |
10990 |
◊ |
A |
x-1,y-1,z |
1_445 |
7 |
4 |
14169 |
38.2 |
-0.1 |
0.581 |
0 |
0 |
0 |
0.000 |
25 |
|
B |
1 |
1 |
14068 |
◊ |
C |
x-1,y-1,z |
1_445 |
2 |
1 |
10973 |
5.0 |
-0.0 |
0.621 |
0 |
0 |
0 |
0.000 |
| Average: |
21.6 |
-0.0 |
0.601 |
0 |
0 |
0 |
0.000 |
| 19 |
26 |
|
[PEG]C:302 |
2 |
1 |
265 |
f |
[GOL]C:301 |
x,y,z |
1_555 |
2 |
1 |
217 |
37.4 |
0.6 |
0.326 |
0 |
0 |
0 |
0.000 |
| 20 |
27 |
|
[GOL]C:301 |
4 |
1 |
217 |
◊ |
[ACT]A:403 |
x,y,z |
1_555 |
2 |
1 |
184 |
23.4 |
-0.1 |
0.578 |
0 |
0 |
0 |
0.003 |
| 21 |
28 |
|
[ACT]B:403 |
1 |
1 |
185 |
◊ |
D |
x,y,z |
1_555 |
1 |
1 |
10990 |
8.9 |
-0.3 |
0.359 |
0 |
0 |
0 |
0.006 |
| 22 |
29 |
|
[GOL]C:301 |
2 |
1 |
217 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
14169 |
4.6 |
-0.0 |
0.434 |
0 |
0 |
0 |
0.000 |
| 23 |
30 |
|
B |
2 |
1 |
14068 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
14169 |
4.2 |
-0.0 |
0.629 |
0 |
0 |
0 |
0.000 |
31 |
|
B |
1 |
1 |
14068 |
◊ |
A |
x-1,y,z |
1_455 |
2 |
1 |
14169 |
3.0 |
-0.0 |
0.644 |
0 |
0 |
0 |
0.000 |
| Average: |
3.6 |
-0.0 |
0.637 |
0 |
0 |
0 |
0.000 |
| 24 |
32 |
|
A |
1 |
1 |
14169 |
◊ |
B |
x,y-1,z-1 |
1_544 |
2 |
1 |
14068 |
1.9 |
-0.1 |
0.511 |
0 |
0 |
0 |
0.000 |
|