| ## |
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 |
365 |
92 |
11830 |
x |
B |
-y-1,x-y-1,z |
2_445 |
368 |
91 |
11830 |
3538.8 |
-30.9 |
0.661 |
42 |
3 |
0 |
1.000 |
2 |
|
A |
361 |
92 |
11796 |
x |
A |
-y,x-y,z |
2_555 |
367 |
92 |
11796 |
3526.7 |
-32.2 |
0.678 |
43 |
6 |
0 |
1.000 |
| Average: |
3532.8 |
-31.5 |
0.669 |
43 |
5 |
0 |
1.000 |
| 2 |
3 |
|
B |
37 |
14 |
11830 |
◊ |
A |
x,y,z |
1_555 |
33 |
12 |
11796 |
337.9 |
-2.6 |
0.596 |
2 |
3 |
0 |
0.000 |
| 3 |
4 |
|
B |
17 |
6 |
11830 |
◊ |
A |
y-1/3,x-2/3,-z+1/3 |
10_445 |
15 |
5 |
11796 |
136.2 |
-1.1 |
0.588 |
1 |
0 |
0 |
0.000 |
| 4 |
5 |
|
A |
11 |
5 |
11796 |
◊ |
B |
-y,x-y,z |
2_555 |
18 |
7 |
11830 |
129.8 |
0.7 |
0.810 |
1 |
5 |
0 |
0.000 |
| 5 |
6 |
|
A |
15 |
5 |
11796 |
◊ |
B |
-y-1,x-y-1,z |
2_445 |
13 |
4 |
11830 |
123.0 |
1.1 |
0.830 |
0 |
6 |
0 |
0.000 |
| 6 |
7 |
|
B |
10 |
3 |
11830 |
x |
B |
x-y-1,-y-1,-z |
5_445 |
13 |
7 |
11830 |
96.3 |
0.4 |
0.698 |
0 |
0 |
0 |
0.000 |
| 7 |
8 |
|
B |
13 |
5 |
11830 |
◊ |
A |
-x,-x+y,-z |
6_555 |
10 |
4 |
11796 |
88.7 |
-1.3 |
0.507 |
1 |
0 |
0 |
0.000 |
| 8 |
9 |
|
B |
8 |
3 |
11830 |
◊ |
A |
-y,x-y,z |
2_555 |
11 |
5 |
11796 |
87.4 |
-0.3 |
0.660 |
0 |
0 |
0 |
0.000 |
| 9 |
10 |
|
B |
12 |
9 |
11830 |
◊ |
B |
-x,-x+y,-z |
6_555 |
12 |
9 |
11830 |
75.8 |
3.2 |
0.944 |
0 |
0 |
0 |
0.000 |
| 10 |
11 |
|
B |
10 |
6 |
11830 |
◊ |
A |
-y-1,x-y-1,z |
2_445 |
10 |
5 |
11796 |
71.2 |
-1.3 |
0.464 |
0 |
0 |
0 |
0.000 |
| 11 |
12 |
|
B |
8 |
4 |
11830 |
◊ |
A |
-x-1/3,-x+y-2/3,-z+1/3 |
12_445 |
12 |
4 |
11796 |
63.6 |
-0.7 |
0.549 |
0 |
0 |
0 |
0.000 |
| 12 |
13 |
|
[FE]A:2 |
1 |
1 |
137 |
x |
A |
x,y,z |
1_555 |
6 |
3 |
11796 |
56.1 |
-7.9 |
0.000 |
0 |
0 |
0 |
0.137 |
14 |
|
[FE]B:1 |
1 |
1 |
137 |
x |
B |
x,y,z |
1_555 |
7 |
3 |
11830 |
55.7 |
-7.9 |
0.000 |
0 |
0 |
0 |
0.137 |
| Average: |
55.9 |
-7.9 |
0.000 |
0 |
0 |
0 |
0.137 |
| 13 |
15 |
|
[CL]B:2 |
1 |
1 |
125 |
x |
B |
x,y,z |
1_555 |
8 |
3 |
11830 |
52.9 |
-7.1 |
0.000 |
0 |
0 |
0 |
0.107 |
16 |
|
[CL]A:1 |
1 |
1 |
125 |
x |
A |
x,y,z |
1_555 |
8 |
3 |
11796 |
50.7 |
-7.3 |
0.000 |
0 |
0 |
0 |
0.107 |
| Average: |
51.8 |
-7.2 |
0.000 |
0 |
0 |
0 |
0.107 |
| 14 |
17 |
|
A |
8 |
4 |
11796 |
f |
[NA]A:213 |
-y,x-y,z |
2_555 |
1 |
1 |
125 |
51.0 |
-6.8 |
0.000 |
0 |
0 |
0 |
0.105 |
| 15 |
18 |
|
A |
8 |
3 |
11796 |
x |
A |
-x-1/3,-x+y-2/3,-z+1/3 |
12_445 |
2 |
1 |
11796 |
51.0 |
1.5 |
0.842 |
0 |
0 |
0 |
0.000 |
| 16 |
19 |
|
[NA]A:213 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
6 |
3 |
11796 |
44.0 |
-5.6 |
0.000 |
0 |
0 |
0 |
0.087 |
| 17 |
20 |
|
B |
8 |
3 |
11830 |
x |
B |
y,x-1,-z |
4_545 |
5 |
4 |
11830 |
40.1 |
0.7 |
0.797 |
0 |
0 |
0 |
0.000 |
| 18 |
21 |
|
[CA]B:212 |
1 |
1 |
85 |
x |
B |
x,y,z |
1_555 |
5 |
2 |
11830 |
36.0 |
-7.2 |
0.000 |
0 |
0 |
0 |
0.110 |
22 |
|
[CA]A:212 |
1 |
1 |
85 |
x |
A |
x,y,z |
1_555 |
5 |
2 |
11796 |
33.9 |
-7.2 |
0.000 |
0 |
0 |
0 |
0.110 |
| Average: |
35.0 |
-7.2 |
0.000 |
0 |
0 |
0 |
0.110 |
| 19 |
23 |
|
B |
5 |
2 |
11830 |
◊ |
A |
y,x-1,-z |
4_545 |
5 |
3 |
11796 |
32.4 |
-0.5 |
0.512 |
0 |
0 |
0 |
0.000 |
| 20 |
24 |
|
A |
1 |
1 |
11796 |
x |
A |
x-y-1/3,-y+1/3,-z+1/3 |
11_455 |
2 |
1 |
11796 |
24.2 |
1.1 |
0.935 |
0 |
0 |
0 |
0.000 |
| 21 |
25 |
|
A |
3 |
2 |
11796 |
◊ |
A |
x-y-1/3,-y-2/3,-z+1/3 |
11_445 |
3 |
2 |
11796 |
22.5 |
-0.3 |
0.533 |
0 |
0 |
0 |
0.000 |
| 22 |
26 |
|
[CA]B:212 |
1 |
1 |
85 |
f |
[CL]B:2 |
x,y,z |
1_555 |
1 |
1 |
125 |
17.4 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.100 |
| 23 |
27 |
|
[CA]A:212 |
1 |
1 |
85 |
f |
[CL]A:1 |
x,y,z |
1_555 |
1 |
1 |
125 |
15.6 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.100 |
| 24 |
28 |
|
A |
4 |
2 |
11796 |
x |
A |
y-1/3,x-2/3,-z+1/3 |
10_445 |
3 |
2 |
11796 |
13.6 |
0.8 |
0.836 |
0 |
0 |
0 |
0.000 |
| 25 |
29 |
|
B |
5 |
1 |
11830 |
◊ |
B |
x-y-1,-y-2,-z |
5_435 |
5 |
1 |
11830 |
10.0 |
0.0 |
0.661 |
0 |
0 |
0 |
0.000 |
| 26 |
30 |
|
B |
1 |
1 |
11830 |
◊ |
A |
y,x,-z |
4_555 |
3 |
1 |
11796 |
9.5 |
0.2 |
0.727 |
0 |
0 |
0 |
0.000 |
| 27 |
31 |
|
B |
1 |
1 |
11830 |
◊ |
A |
-y,x-y-1,z |
2_545 |
1 |
1 |
11796 |
6.1 |
-0.2 |
0.383 |
0 |
0 |
0 |
0.000 |
| 28 |
32 |
|
B |
1 |
1 |
11830 |
◊ |
A |
x-y-1/3,-y-2/3,-z+1/3 |
11_445 |
2 |
1 |
11796 |
6.0 |
-0.1 |
0.475 |
0 |
0 |
0 |
0.000 |
| 29 |
33 |
|
B |
1 |
1 |
11830 |
◊ |
A |
x-1,y-1,z |
1_445 |
1 |
1 |
11796 |
5.4 |
0.1 |
0.577 |
0 |
0 |
0 |
0.000 |
| 30 |
34 |
|
A |
2 |
1 |
11796 |
◊ |
A |
-x+2/3,-x+y+1/3,-z+1/3 |
12_555 |
2 |
1 |
11796 |
4.0 |
0.0 |
0.616 |
0 |
0 |
0 |
0.000 |
|