| ## |
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 |
154 |
35 |
9557 |
◊ |
A |
x,y,z |
1_555 |
154 |
35 |
9548 |
1531.6 |
-9.8 |
0.680 |
21 |
6 |
0 |
0.308 |
2 |
|
D |
154 |
35 |
9557 |
◊ |
C |
x,y,z |
1_555 |
152 |
35 |
9554 |
1530.3 |
-9.6 |
0.678 |
22 |
5 |
0 |
0.308 |
| Average: |
1531.0 |
-9.7 |
0.679 |
22 |
6 |
0 |
0.308 |
| 2 |
3 |
|
C |
77 |
19 |
9554 |
x |
B |
x,y,z |
1_555 |
56 |
15 |
9557 |
573.0 |
-1.8 |
0.737 |
4 |
2 |
0 |
0.089 |
4 |
|
A |
58 |
16 |
9548 |
x |
B |
-y+1,x-y,z |
2_655 |
75 |
19 |
9557 |
568.2 |
-1.9 |
0.731 |
4 |
2 |
0 |
0.089 |
5 |
|
A |
76 |
19 |
9548 |
x |
C |
-y+1,x-y,z |
2_655 |
60 |
16 |
9554 |
568.1 |
-1.9 |
0.745 |
5 |
2 |
0 |
0.089 |
6 |
|
D |
56 |
15 |
9557 |
x |
D |
-y+1,x-y,z |
2_655 |
76 |
19 |
9557 |
566.8 |
-2.0 |
0.723 |
5 |
2 |
0 |
0.089 |
| Average: |
569.0 |
-1.9 |
0.734 |
5 |
2 |
0 |
0.089 |
| 3 |
7 |
|
A |
47 |
14 |
9548 |
x |
D |
-y+1,x-y,z |
2_655 |
42 |
12 |
9557 |
443.1 |
-6.2 |
0.298 |
2 |
0 |
0 |
0.278 |
8 |
|
C |
46 |
14 |
9554 |
x |
A |
x,y,z |
1_555 |
43 |
12 |
9548 |
439.4 |
-6.1 |
0.304 |
2 |
0 |
0 |
0.278 |
9 |
|
C |
43 |
12 |
9554 |
x |
D |
-y+1,x-y,z |
2_655 |
45 |
13 |
9557 |
438.3 |
-6.3 |
0.290 |
2 |
0 |
0 |
0.278 |
10 |
|
B |
41 |
12 |
9557 |
x |
B |
-y+1,x-y,z |
2_655 |
46 |
13 |
9557 |
438.1 |
-6.1 |
0.292 |
2 |
0 |
0 |
0.278 |
| Average: |
439.7 |
-6.2 |
0.296 |
2 |
0 |
0 |
0.278 |
| 4 |
11 |
|
C |
10 |
2 |
9554 |
x |
C |
-y,x-y,z |
2_555 |
9 |
4 |
9554 |
84.5 |
0.7 |
0.768 |
0 |
0 |
0 |
0.000 |
12 |
|
D |
10 |
2 |
9557 |
x |
B |
-x+y+2/3,-x+1/3,z+1/3 |
6_555 |
9 |
4 |
9557 |
84.1 |
0.6 |
0.762 |
0 |
0 |
0 |
0.000 |
13 |
|
D |
9 |
4 |
9557 |
x |
A |
x-1/3,y+1/3,z+1/3 |
4_455 |
10 |
2 |
9548 |
83.8 |
0.7 |
0.770 |
0 |
0 |
0 |
0.000 |
14 |
|
B |
10 |
2 |
9557 |
x |
A |
-y,x-y-1,z |
2_545 |
9 |
4 |
9548 |
81.4 |
0.7 |
0.767 |
0 |
0 |
0 |
0.000 |
| Average: |
83.5 |
0.7 |
0.766 |
0 |
0 |
0 |
0.000 |
| 5 |
15 |
|
[FE]D:505 |
1 |
1 |
137 |
f |
C |
x,y,z |
1_555 |
11 |
6 |
9554 |
46.1 |
-5.7 |
0.000 |
0 |
0 |
0 |
0.224 |
16 |
|
[FE]C:507 |
1 |
1 |
137 |
f |
D |
x,y,z |
1_555 |
11 |
5 |
9557 |
45.2 |
-5.8 |
0.000 |
0 |
0 |
0 |
0.224 |
17 |
|
[FE]B:501 |
1 |
1 |
137 |
f |
A |
x,y,z |
1_555 |
12 |
6 |
9548 |
44.8 |
-5.6 |
0.000 |
0 |
0 |
0 |
0.224 |
| Average: |
45.4 |
-5.7 |
0.000 |
0 |
0 |
0 |
0.224 |
| 6 |
18 |
|
[FE]A:503 |
1 |
1 |
137 |
f |
B |
x,y,z |
1_555 |
10 |
5 |
9557 |
44.4 |
-5.6 |
0.000 |
0 |
0 |
0 |
0.383 |
19 |
|
[FE]C:506 |
1 |
1 |
137 |
f |
C |
x,y,z |
1_555 |
7 |
3 |
9554 |
40.5 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.383 |
20 |
|
[FE]A:502 |
1 |
1 |
137 |
f |
A |
x,y,z |
1_555 |
8 |
3 |
9548 |
39.5 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.383 |
21 |
|
[FE]A:504 |
1 |
1 |
137 |
f |
B |
x,y,z |
1_555 |
7 |
3 |
9557 |
39.5 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.383 |
22 |
|
[FE]C:508 |
1 |
1 |
137 |
f |
D |
x,y,z |
1_555 |
8 |
3 |
9557 |
38.8 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.383 |
| Average: |
40.6 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.383 |
| 7 |
23 |
|
[FE]D:505 |
1 |
1 |
137 |
◊ |
D |
x,y,z |
1_555 |
5 |
2 |
9557 |
42.6 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.143 |
24 |
|
[FE]B:501 |
1 |
1 |
137 |
◊ |
B |
x,y,z |
1_555 |
6 |
2 |
9557 |
41.5 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.143 |
25 |
|
[FE]C:507 |
1 |
1 |
137 |
◊ |
C |
x,y,z |
1_555 |
6 |
2 |
9554 |
40.7 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.143 |
26 |
|
[FE]A:503 |
1 |
1 |
137 |
◊ |
A |
x,y,z |
1_555 |
6 |
2 |
9548 |
40.7 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.143 |
| Average: |
41.4 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.143 |
| 8 |
27 |
|
[FE]C:506 |
1 |
1 |
137 |
◊ |
D |
-y+1,x-y,z |
2_655 |
4 |
3 |
9557 |
32.7 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.110 |
28 |
|
A |
4 |
3 |
9548 |
◊ |
[FE]C:508 |
-y+1,x-y,z |
2_655 |
1 |
1 |
137 |
30.7 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.110 |
29 |
|
[FE]A:502 |
1 |
1 |
137 |
◊ |
C |
x,y,z |
1_555 |
4 |
3 |
9554 |
29.9 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.110 |
30 |
|
[FE]A:504 |
1 |
1 |
137 |
◊ |
B |
-y+1,x-y,z |
2_655 |
4 |
3 |
9557 |
27.2 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.110 |
| Average: |
30.1 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.110 |
| 9 |
31 |
|
[FE]A:504 |
1 |
1 |
137 |
f |
[FE]A:503 |
x,y,z |
1_555 |
1 |
1 |
137 |
29.5 |
-5.9 |
0.000 |
0 |
0 |
0 |
0.234 |
| 10 |
32 |
|
[FE]A:504 |
1 |
1 |
137 |
◊ |
A |
x,y,z |
1_555 |
6 |
2 |
9548 |
29.1 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.089 |
33 |
|
[FE]C:508 |
1 |
1 |
137 |
◊ |
C |
x,y,z |
1_555 |
6 |
2 |
9554 |
28.4 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.089 |
34 |
|
[FE]A:502 |
1 |
1 |
137 |
◊ |
B |
x,y,z |
1_555 |
6 |
2 |
9557 |
28.0 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.089 |
35 |
|
[FE]C:506 |
1 |
1 |
137 |
◊ |
D |
x,y,z |
1_555 |
6 |
2 |
9557 |
25.6 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.089 |
| Average: |
27.8 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.089 |
| 11 |
36 |
|
[FE]B:501 |
1 |
1 |
137 |
f |
[FE]A:502 |
x,y,z |
1_555 |
1 |
1 |
137 |
27.8 |
-5.6 |
0.000 |
0 |
0 |
0 |
0.084 |
| 12 |
37 |
|
[FE]C:508 |
1 |
1 |
137 |
f |
[FE]C:507 |
x,y,z |
1_555 |
1 |
1 |
137 |
27.1 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.083 |
| 13 |
38 |
|
[FE]D:505 |
1 |
1 |
137 |
f |
[FE]C:506 |
x,y,z |
1_555 |
1 |
1 |
137 |
25.8 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.079 |
| 14 |
39 |
|
D |
1 |
1 |
9557 |
◊ |
B |
-y+2/3,x-y+1/3,z+1/3 |
5_555 |
1 |
1 |
9557 |
25.0 |
-2.0 |
0.011 |
0 |
0 |
0 |
0.000 |
40 |
|
C |
1 |
1 |
9554 |
◊ |
A |
-y,x-y-1,z |
2_545 |
1 |
1 |
9548 |
23.8 |
-1.9 |
0.011 |
0 |
0 |
0 |
0.000 |
| Average: |
24.4 |
-2.0 |
0.011 |
0 |
0 |
0 |
0.000 |
| 15 |
41 |
|
A |
1 |
1 |
9548 |
◊ |
[FE]C:507 |
-y+1,x-y,z |
2_655 |
1 |
1 |
137 |
5.0 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.017 |
42 |
|
[FE]A:503 |
1 |
1 |
137 |
◊ |
B |
-y+1,x-y,z |
2_655 |
1 |
1 |
9557 |
4.2 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.017 |
43 |
|
[FE]B:501 |
1 |
1 |
137 |
◊ |
C |
x,y,z |
1_555 |
2 |
2 |
9554 |
4.2 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.017 |
44 |
|
[FE]D:505 |
1 |
1 |
137 |
◊ |
D |
-y+1,x-y,z |
2_655 |
1 |
1 |
9557 |
3.1 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.017 |
| Average: |
4.1 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.017 |
|