| ## |
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 |
148 |
42 |
18081 |
◊ |
A |
x,y,z |
1_555 |
151 |
47 |
18056 |
1462.4 |
-9.9 |
0.161 |
16 |
10 |
0 |
0.349 |
2 |
|
C |
148 |
41 |
18155 |
◊ |
B |
x,y,z |
1_555 |
150 |
45 |
18081 |
1454.5 |
-8.7 |
0.171 |
18 |
10 |
0 |
0.349 |
3 |
|
C |
151 |
45 |
18155 |
◊ |
A |
x,y,z |
1_555 |
152 |
42 |
18056 |
1454.2 |
-9.6 |
0.182 |
18 |
10 |
0 |
0.349 |
| Average: |
1457.0 |
-9.4 |
0.172 |
17 |
10 |
0 |
0.349 |
| 2 |
4 |
|
D |
63 |
17 |
5632 |
◊ |
A |
x,y,z |
1_555 |
72 |
20 |
18056 |
605.4 |
-1.3 |
0.493 |
10 |
5 |
0 |
0.000 |
5 |
|
E |
63 |
18 |
6015 |
◊ |
B |
x,y,z |
1_555 |
70 |
19 |
18081 |
596.6 |
-0.8 |
0.508 |
9 |
5 |
0 |
0.000 |
6 |
|
F |
64 |
17 |
5573 |
◊ |
C |
x,y,z |
1_555 |
69 |
18 |
18155 |
574.4 |
-1.3 |
0.508 |
10 |
7 |
0 |
0.000 |
| Average: |
592.1 |
-1.1 |
0.503 |
10 |
6 |
0 |
0.000 |
| 3 |
7 |
|
E |
47 |
12 |
6015 |
◊ |
A |
x-1,y,z |
1_455 |
53 |
23 |
18056 |
517.3 |
-6.1 |
0.175 |
2 |
2 |
0 |
0.000 |
| 4 |
8 |
|
F |
49 |
15 |
5573 |
◊ |
C |
-x,y-1/2,-z+1 |
2_546 |
54 |
17 |
18155 |
392.9 |
-0.6 |
0.656 |
3 |
1 |
0 |
0.000 |
| 5 |
9 |
|
F |
50 |
19 |
5573 |
◊ |
A |
x,y,z |
1_555 |
39 |
10 |
18056 |
391.1 |
0.3 |
0.713 |
9 |
1 |
0 |
0.000 |
10 |
|
E |
42 |
19 |
6015 |
◊ |
C |
x,y,z |
1_555 |
37 |
10 |
18155 |
355.1 |
3.1 |
0.782 |
9 |
5 |
0 |
0.000 |
11 |
|
D |
45 |
18 |
5632 |
◊ |
B |
x,y,z |
1_555 |
32 |
8 |
18081 |
341.1 |
1.7 |
0.726 |
9 |
4 |
0 |
0.000 |
| Average: |
362.4 |
1.7 |
0.740 |
9 |
3 |
0 |
0.000 |
| 6 |
12 |
|
B |
25 |
11 |
18081 |
◊ |
C |
-x,y-1/2,-z |
2_545 |
40 |
14 |
18155 |
271.8 |
-1.6 |
0.335 |
1 |
0 |
0 |
0.000 |
| 7 |
13 |
|
A |
26 |
8 |
18056 |
◊ |
C |
-x+1,y-1/2,-z+1 |
2_646 |
27 |
7 |
18155 |
256.0 |
-0.5 |
0.574 |
3 |
5 |
0 |
0.000 |
| 8 |
14 |
|
B |
24 |
6 |
18081 |
◊ |
F |
x,y,z-1 |
1_554 |
20 |
6 |
5573 |
225.8 |
-0.9 |
0.505 |
1 |
1 |
0 |
0.000 |
| 9 |
15 |
|
E |
17 |
6 |
6015 |
◊ |
B |
-x,y-1/2,-z |
2_545 |
17 |
6 |
18081 |
158.9 |
0.8 |
0.733 |
5 |
0 |
0 |
0.000 |
| 10 |
16 |
|
[FES]A:401 |
4 |
1 |
241 |
f |
A |
x,y,z |
1_555 |
14 |
8 |
18056 |
120.3 |
-16.0 |
0.615 |
2 |
0 |
0 |
0.315 |
17 |
|
[FES]C:401 |
4 |
1 |
239 |
f |
C |
x,y,z |
1_555 |
16 |
8 |
18155 |
120.2 |
-15.9 |
0.623 |
2 |
0 |
0 |
0.315 |
18 |
|
[FES]B:401 |
4 |
1 |
238 |
f |
B |
x,y,z |
1_555 |
16 |
8 |
18081 |
118.3 |
-15.8 |
0.620 |
2 |
0 |
0 |
0.315 |
| Average: |
119.6 |
-15.9 |
0.619 |
2 |
0 |
0 |
0.315 |
| 11 |
19 |
|
[FES]E:201 |
4 |
1 |
236 |
f |
E |
x,y,z |
1_555 |
17 |
10 |
6015 |
116.4 |
-15.2 |
0.629 |
1 |
0 |
0 |
0.100 |
| 12 |
20 |
|
[FES]F:201 |
4 |
1 |
240 |
f |
F |
x,y,z |
1_555 |
17 |
10 |
5573 |
115.9 |
-15.1 |
0.634 |
1 |
0 |
0 |
0.100 |
21 |
|
[FES]D:201 |
4 |
1 |
238 |
f |
D |
x,y,z |
1_555 |
16 |
10 |
5632 |
113.8 |
-14.9 |
0.633 |
1 |
0 |
0 |
0.100 |
| Average: |
114.9 |
-15.0 |
0.633 |
1 |
0 |
0 |
0.100 |
| 13 |
22 |
|
D |
7 |
3 |
5632 |
◊ |
F |
-x+1,y-1/2,-z+1 |
2_646 |
9 |
3 |
5573 |
84.5 |
0.4 |
0.473 |
1 |
1 |
0 |
0.000 |
| 14 |
23 |
|
E |
11 |
3 |
6015 |
◊ |
D |
x-1,y,z |
1_455 |
7 |
4 |
5632 |
80.7 |
-0.0 |
0.587 |
1 |
0 |
0 |
0.000 |
| 15 |
24 |
|
B |
12 |
6 |
18081 |
x |
B |
-x,y-1/2,-z |
2_545 |
9 |
4 |
18081 |
76.1 |
-0.3 |
0.498 |
0 |
0 |
0 |
0.000 |
| 16 |
25 |
|
E |
6 |
2 |
6015 |
◊ |
B |
x-1,y,z |
1_455 |
6 |
2 |
18081 |
72.2 |
-2.1 |
0.091 |
0 |
0 |
0 |
0.000 |
| 17 |
26 |
|
[OXY]B:602 |
2 |
1 |
124 |
f |
B |
x,y,z |
1_555 |
14 |
9 |
18081 |
68.9 |
-1.0 |
0.175 |
1 |
0 |
0 |
0.009 |
| 18 |
27 |
|
[OXY]A:601 |
2 |
1 |
124 |
f |
A |
x,y,z |
1_555 |
14 |
9 |
18056 |
68.8 |
-1.5 |
0.114 |
1 |
0 |
0 |
0.012 |
| 19 |
28 |
|
[OXY]C:603 |
2 |
1 |
124 |
f |
C |
x,y,z |
1_555 |
14 |
9 |
18155 |
68.6 |
-1.3 |
0.129 |
1 |
0 |
0 |
0.011 |
| 20 |
29 |
|
[FE2]B:501 |
1 |
1 |
137 |
f |
B |
x,y,z |
1_555 |
9 |
6 |
18081 |
59.9 |
-11.8 |
0.000 |
0 |
0 |
0 |
0.230 |
30 |
|
[FE2]A:501 |
1 |
1 |
137 |
f |
A |
x,y,z |
1_555 |
9 |
6 |
18056 |
59.9 |
-12.6 |
0.000 |
0 |
0 |
0 |
0.230 |
31 |
|
[FE2]C:501 |
1 |
1 |
137 |
f |
C |
x,y,z |
1_555 |
9 |
6 |
18155 |
59.7 |
-12.4 |
0.000 |
0 |
0 |
0 |
0.230 |
| Average: |
59.8 |
-12.3 |
0.000 |
0 |
0 |
0 |
0.230 |
| 21 |
32 |
|
C |
6 |
3 |
18155 |
x |
C |
-x,y-1/2,-z+1 |
2_546 |
5 |
2 |
18155 |
57.3 |
0.4 |
0.692 |
1 |
2 |
0 |
0.000 |
| 22 |
33 |
|
E |
6 |
2 |
6015 |
◊ |
F |
-x,y-1/2,-z+1 |
2_546 |
6 |
2 |
5573 |
46.4 |
-0.2 |
0.462 |
0 |
0 |
0 |
0.000 |
| 23 |
34 |
|
F |
8 |
6 |
5573 |
◊ |
A |
-x+1,y-1/2,-z+1 |
2_646 |
8 |
3 |
18056 |
45.0 |
-0.4 |
0.520 |
0 |
0 |
0 |
0.000 |
| 24 |
35 |
|
D |
5 |
2 |
5632 |
◊ |
B |
-x,y-1/2,-z |
2_545 |
4 |
2 |
18081 |
45.0 |
-0.2 |
0.409 |
0 |
0 |
0 |
0.000 |
| 25 |
36 |
|
[OXY]B:602 |
2 |
1 |
124 |
f |
[FE2]B:501 |
x,y,z |
1_555 |
1 |
1 |
137 |
35.0 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.037 |
37 |
|
[OXY]A:601 |
2 |
1 |
124 |
f |
[FE2]A:501 |
x,y,z |
1_555 |
1 |
1 |
137 |
34.9 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.037 |
| Average: |
34.9 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.037 |
| 26 |
38 |
|
[OXY]C:603 |
2 |
1 |
124 |
f |
[FE2]C:501 |
x,y,z |
1_555 |
1 |
1 |
137 |
34.6 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.018 |
| 27 |
39 |
|
A |
4 |
2 |
18056 |
x |
A |
-x+1,y-1/2,-z+1 |
2_646 |
4 |
2 |
18056 |
31.3 |
0.4 |
0.695 |
0 |
0 |
0 |
0.000 |
| 28 |
40 |
|
[FES]F:201 |
3 |
1 |
240 |
◊ |
C |
x,y,z |
1_555 |
6 |
3 |
18155 |
23.1 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.000 |
41 |
|
[FES]D:201 |
3 |
1 |
238 |
◊ |
A |
x,y,z |
1_555 |
5 |
3 |
18056 |
22.9 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.000 |
| Average: |
23.0 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.000 |
| 29 |
42 |
|
[FES]E:201 |
3 |
1 |
236 |
◊ |
B |
x,y,z |
1_555 |
5 |
4 |
18081 |
20.9 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.000 |
| 30 |
43 |
|
B |
3 |
2 |
18081 |
◊ |
C |
x,y,z-1 |
1_554 |
3 |
2 |
18155 |
15.4 |
0.5 |
0.789 |
0 |
0 |
0 |
0.000 |
| 31 |
44 |
|
[FES]B:401 |
3 |
1 |
238 |
◊ |
A |
x,y,z |
1_555 |
4 |
2 |
18056 |
11.1 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.020 |
45 |
|
[FES]A:401 |
3 |
1 |
241 |
◊ |
C |
x,y,z |
1_555 |
3 |
2 |
18155 |
10.7 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.020 |
46 |
|
[FES]C:401 |
3 |
1 |
239 |
◊ |
B |
x,y,z |
1_555 |
3 |
2 |
18081 |
10.5 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.020 |
| Average: |
10.7 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.020 |
| 32 |
47 |
|
C |
2 |
1 |
18155 |
◊ |
A |
x-1,y,z |
1_455 |
1 |
1 |
18056 |
6.2 |
0.2 |
0.759 |
0 |
0 |
0 |
0.000 |
|