| ## |
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 |
|
C |
149 |
42 |
18056 |
◊ |
B |
x,y,z |
1_555 |
153 |
47 |
18033 |
1471.2 |
-10.4 |
0.180 |
17 |
10 |
0 |
0.382 |
2 |
|
B |
151 |
42 |
18033 |
◊ |
A |
x,y,z |
1_555 |
150 |
45 |
18064 |
1465.7 |
-11.3 |
0.140 |
16 |
10 |
0 |
0.382 |
3 |
|
C |
148 |
46 |
18056 |
◊ |
A |
x,y,z |
1_555 |
149 |
42 |
18064 |
1440.7 |
-11.2 |
0.146 |
18 |
9 |
0 |
0.382 |
| Average: |
1459.2 |
-10.9 |
0.155 |
17 |
10 |
0 |
0.382 |
| 2 |
4 |
|
D |
64 |
17 |
5788 |
◊ |
A |
x,y,z |
1_555 |
72 |
20 |
18064 |
607.7 |
-1.3 |
0.545 |
9 |
4 |
0 |
0.000 |
5 |
|
E |
63 |
18 |
5849 |
◊ |
B |
x,y,z |
1_555 |
71 |
19 |
18033 |
601.4 |
-0.9 |
0.535 |
9 |
6 |
0 |
0.000 |
| Average: |
604.6 |
-1.1 |
0.540 |
9 |
5 |
0 |
0.000 |
| 3 |
6 |
|
F |
62 |
17 |
5531 |
◊ |
C |
x,y,z |
1_555 |
68 |
18 |
18056 |
583.0 |
-1.3 |
0.498 |
10 |
7 |
0 |
0.000 |
| 4 |
7 |
|
E |
41 |
11 |
5849 |
◊ |
A |
x-1,y,z |
1_455 |
49 |
19 |
18064 |
438.2 |
-5.0 |
0.236 |
2 |
2 |
0 |
0.000 |
| 5 |
8 |
|
F |
47 |
16 |
5531 |
◊ |
C |
-x,y-1/2,-z+1 |
2_546 |
53 |
17 |
18056 |
391.9 |
-0.4 |
0.670 |
4 |
0 |
0 |
0.000 |
| 6 |
9 |
|
F |
53 |
22 |
5531 |
◊ |
A |
x,y,z |
1_555 |
40 |
10 |
18064 |
390.3 |
1.4 |
0.766 |
7 |
1 |
0 |
0.000 |
10 |
|
D |
50 |
20 |
5788 |
◊ |
B |
x,y,z |
1_555 |
35 |
8 |
18033 |
367.3 |
0.7 |
0.727 |
8 |
4 |
0 |
0.000 |
11 |
|
E |
42 |
18 |
5849 |
◊ |
C |
x,y,z |
1_555 |
40 |
10 |
18056 |
357.3 |
2.1 |
0.794 |
9 |
4 |
0 |
0.000 |
| Average: |
371.7 |
1.4 |
0.762 |
8 |
3 |
0 |
0.000 |
| 7 |
12 |
|
B |
25 |
11 |
18033 |
◊ |
C |
-x,y-1/2,-z |
2_545 |
33 |
13 |
18056 |
264.2 |
-2.0 |
0.299 |
1 |
0 |
0 |
0.000 |
| 8 |
13 |
|
B |
30 |
10 |
18033 |
◊ |
F |
x,y,z-1 |
1_554 |
31 |
9 |
5531 |
255.7 |
0.5 |
0.692 |
3 |
1 |
0 |
0.000 |
| 9 |
14 |
|
A |
26 |
8 |
18064 |
◊ |
C |
-x+1,y-1/2,-z+1 |
2_646 |
26 |
7 |
18056 |
249.6 |
-1.0 |
0.490 |
3 |
5 |
0 |
0.000 |
| 10 |
15 |
|
E |
16 |
6 |
5849 |
◊ |
B |
-x,y-1/2,-z |
2_545 |
18 |
6 |
18033 |
162.8 |
0.4 |
0.693 |
5 |
0 |
0 |
0.000 |
| 11 |
16 |
|
[FES]C:401 |
4 |
1 |
240 |
f |
C |
x,y,z |
1_555 |
16 |
8 |
18056 |
119.6 |
-15.8 |
0.625 |
2 |
0 |
0 |
0.320 |
17 |
|
[FES]A:401 |
4 |
1 |
241 |
f |
A |
x,y,z |
1_555 |
14 |
8 |
18064 |
119.1 |
-15.8 |
0.627 |
2 |
0 |
0 |
0.320 |
18 |
|
[FES]B:401 |
4 |
1 |
239 |
f |
B |
x,y,z |
1_555 |
16 |
8 |
18033 |
119.0 |
-15.9 |
0.619 |
2 |
0 |
0 |
0.320 |
| Average: |
119.2 |
-15.8 |
0.624 |
2 |
0 |
0 |
0.320 |
| 12 |
19 |
|
[FES]D:201 |
4 |
1 |
239 |
f |
D |
x,y,z |
1_555 |
17 |
10 |
5788 |
116.7 |
-15.1 |
0.641 |
1 |
0 |
0 |
0.100 |
20 |
|
[FES]F:201 |
4 |
1 |
241 |
f |
F |
x,y,z |
1_555 |
17 |
10 |
5531 |
116.1 |
-15.1 |
0.637 |
1 |
0 |
0 |
0.100 |
21 |
|
[FES]E:201 |
4 |
1 |
235 |
f |
E |
x,y,z |
1_555 |
16 |
9 |
5849 |
114.6 |
-15.0 |
0.642 |
1 |
0 |
0 |
0.100 |
| Average: |
115.8 |
-15.1 |
0.640 |
1 |
0 |
0 |
0.100 |
| 13 |
22 |
|
B |
11 |
5 |
18033 |
x |
B |
-x,y-1/2,-z |
2_545 |
9 |
4 |
18033 |
82.2 |
-0.3 |
0.485 |
0 |
0 |
0 |
0.000 |
| 14 |
23 |
|
E |
11 |
3 |
5849 |
◊ |
D |
x-1,y,z |
1_455 |
7 |
4 |
5788 |
76.8 |
-0.2 |
0.586 |
0 |
0 |
0 |
0.000 |
| 15 |
24 |
|
[FE2]B:501 |
1 |
1 |
137 |
f |
B |
x,y,z |
1_555 |
10 |
6 |
18033 |
72.9 |
-14.4 |
0.000 |
0 |
0 |
0 |
0.277 |
25 |
|
[FE2]A:501 |
1 |
1 |
137 |
f |
A |
x,y,z |
1_555 |
9 |
6 |
18064 |
72.5 |
-14.2 |
0.000 |
0 |
0 |
0 |
0.277 |
26 |
|
[FE2]C:501 |
1 |
1 |
137 |
f |
C |
x,y,z |
1_555 |
9 |
6 |
18056 |
71.6 |
-14.7 |
0.000 |
0 |
0 |
0 |
0.277 |
| Average: |
72.3 |
-14.5 |
0.000 |
0 |
0 |
0 |
0.277 |
| 16 |
27 |
|
D |
7 |
3 |
5788 |
◊ |
F |
-x+1,y-1/2,-z+1 |
2_646 |
10 |
3 |
5531 |
72.0 |
0.5 |
0.533 |
0 |
0 |
0 |
0.000 |
| 17 |
28 |
|
E |
6 |
2 |
5849 |
◊ |
B |
x-1,y,z |
1_455 |
6 |
2 |
18033 |
69.4 |
-1.9 |
0.109 |
0 |
0 |
0 |
0.000 |
| 18 |
29 |
|
C |
6 |
3 |
18056 |
x |
C |
-x,y-1/2,-z+1 |
2_546 |
5 |
2 |
18056 |
47.5 |
0.4 |
0.697 |
1 |
1 |
0 |
0.000 |
| 19 |
30 |
|
E |
6 |
2 |
5849 |
◊ |
F |
-x,y-1/2,-z+1 |
2_546 |
6 |
2 |
5531 |
43.2 |
-0.1 |
0.492 |
0 |
0 |
0 |
0.000 |
| 20 |
31 |
|
D |
4 |
2 |
5788 |
◊ |
B |
-x,y-1/2,-z |
2_545 |
4 |
2 |
18033 |
41.3 |
-0.2 |
0.409 |
0 |
0 |
0 |
0.000 |
| 21 |
32 |
|
A |
4 |
2 |
18064 |
x |
A |
-x+1,y-1/2,-z+1 |
2_646 |
4 |
2 |
18064 |
29.6 |
0.4 |
0.715 |
0 |
0 |
0 |
0.000 |
| 22 |
33 |
|
B |
3 |
1 |
18033 |
◊ |
C |
x,y,z-1 |
1_554 |
7 |
3 |
18056 |
28.7 |
0.5 |
0.756 |
0 |
1 |
0 |
0.000 |
| 23 |
34 |
|
[FES]F:201 |
3 |
1 |
241 |
◊ |
C |
x,y,z |
1_555 |
7 |
4 |
18056 |
24.4 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.000 |
35 |
|
[FES]D:201 |
3 |
1 |
239 |
◊ |
A |
x,y,z |
1_555 |
5 |
3 |
18064 |
22.7 |
-1.9 |
0.000 |
0 |
0 |
0 |
0.000 |
36 |
|
[FES]E:201 |
3 |
1 |
235 |
◊ |
B |
x,y,z |
1_555 |
5 |
4 |
18033 |
21.3 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.000 |
| Average: |
22.8 |
-1.9 |
0.000 |
0 |
0 |
0 |
0.000 |
| 24 |
37 |
|
F |
8 |
5 |
5531 |
◊ |
A |
-x+1,y-1/2,-z+1 |
2_646 |
5 |
2 |
18064 |
21.1 |
-0.1 |
0.587 |
0 |
0 |
0 |
0.000 |
| 25 |
38 |
|
[FES]A:401 |
3 |
1 |
241 |
◊ |
C |
x,y,z |
1_555 |
4 |
2 |
18056 |
12.3 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.021 |
39 |
|
[FES]B:401 |
3 |
1 |
239 |
◊ |
A |
x,y,z |
1_555 |
4 |
2 |
18064 |
12.2 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.021 |
40 |
|
[FES]C:401 |
3 |
1 |
240 |
◊ |
B |
x,y,z |
1_555 |
4 |
2 |
18033 |
12.2 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.021 |
| Average: |
12.3 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.021 |
| 26 |
41 |
|
C |
1 |
1 |
18056 |
◊ |
A |
x-1,y,z |
1_455 |
1 |
1 |
18064 |
2.0 |
0.1 |
0.739 |
0 |
0 |
0 |
0.000 |
|