| ## |
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 |
100 |
28 |
8914 |
◊ |
A |
x,y,z |
1_555 |
99 |
27 |
8949 |
959.3 |
-10.8 |
0.115 |
14 |
14 |
0 |
0.325 |
| 2 |
2 |
|
B |
76 |
18 |
8914 |
◊ |
A |
-y,-z-1/2,x-1/2 |
24_544 |
66 |
17 |
8949 |
626.1 |
-5.2 |
0.368 |
5 |
2 |
0 |
0.231 |
3 |
|
A |
76 |
19 |
8949 |
◊ |
B |
-z,-x,y |
7_555 |
65 |
16 |
8914 |
619.5 |
-5.3 |
0.359 |
5 |
2 |
0 |
0.231 |
| Average: |
622.8 |
-5.2 |
0.364 |
5 |
2 |
0 |
0.231 |
| 3 |
4 |
|
A |
58 |
14 |
8949 |
x |
A |
-z,-x,y |
7_555 |
54 |
16 |
8949 |
467.2 |
-2.8 |
0.320 |
5 |
2 |
0 |
0.256 |
5 |
|
B |
56 |
13 |
8914 |
x |
B |
-y,-z-1/2,x-1/2 |
24_544 |
53 |
16 |
8914 |
461.9 |
-3.4 |
0.313 |
5 |
2 |
0 |
0.256 |
| Average: |
464.6 |
-3.1 |
0.317 |
5 |
2 |
0 |
0.256 |
| 4 |
6 |
|
[HEM]A:162 |
39 |
1 |
840 |
f |
B |
x,y,z |
1_555 |
44 |
12 |
8914 |
336.4 |
-8.8 |
0.422 |
1 |
0 |
0 |
0.306 |
| 5 |
7 |
|
[HEM]A:162 |
39 |
1 |
840 |
◊ |
A |
x,y,z |
1_555 |
42 |
12 |
8949 |
334.6 |
-8.6 |
0.426 |
1 |
0 |
0 |
0.154 |
| 6 |
8 |
|
A |
12 |
6 |
8949 |
◊ |
A |
-x,-y,z |
2_555 |
12 |
6 |
8949 |
121.6 |
2.8 |
0.913 |
2 |
4 |
0 |
0.000 |
9 |
|
B |
14 |
6 |
8914 |
◊ |
B |
-x,-y,z |
2_555 |
14 |
6 |
8914 |
110.4 |
3.1 |
0.922 |
2 |
2 |
0 |
0.000 |
| Average: |
116.0 |
3.0 |
0.917 |
2 |
3 |
0 |
0.000 |
| 7 |
10 |
|
[IMD]B:167 |
5 |
1 |
197 |
f |
B |
x,y,z |
1_555 |
20 |
9 |
8914 |
107.8 |
3.3 |
0.383 |
1 |
0 |
0 |
0.000 |
11 |
|
[IMD]A:171 |
5 |
1 |
200 |
f |
A |
x,y,z |
1_555 |
18 |
9 |
8949 |
107.1 |
3.3 |
0.375 |
2 |
0 |
0 |
0.000 |
| Average: |
107.5 |
3.3 |
0.379 |
2 |
0 |
0 |
0.000 |
| 8 |
12 |
|
[FE]A:164 |
1 |
1 |
137 |
f |
A |
x,y,z |
1_555 |
9 |
5 |
8949 |
54.3 |
-10.5 |
0.000 |
0 |
0 |
0 |
0.509 |
13 |
|
[FE]B:162 |
1 |
1 |
137 |
f |
B |
x,y,z |
1_555 |
8 |
5 |
8914 |
54.2 |
-10.6 |
0.000 |
0 |
0 |
0 |
0.509 |
| Average: |
54.3 |
-10.6 |
0.000 |
0 |
0 |
0 |
0.509 |
| 9 |
14 |
|
[FE]A:163 |
1 |
1 |
137 |
◊ |
[HEM]A:162 |
x,y,z |
1_555 |
12 |
1 |
840 |
45.2 |
-7.2 |
0.000 |
0 |
0 |
0 |
0.097 |
| 10 |
15 |
|
[CL]A:170 |
1 |
1 |
125 |
x |
A |
x,y,z |
1_555 |
6 |
2 |
8949 |
41.0 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.139 |
16 |
|
[CL]A:170 |
1 |
1 |
125 |
x |
B |
-z,-x,y |
7_555 |
6 |
2 |
8914 |
40.8 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.139 |
| Average: |
40.9 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.139 |
| 11 |
17 |
|
[NA]A:168 |
1 |
1 |
125 |
x |
B |
-z,-x,y |
7_555 |
5 |
2 |
8914 |
40.2 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.143 |
18 |
|
[NA]A:168 |
1 |
1 |
125 |
x |
A |
x,y,z |
1_555 |
5 |
2 |
8949 |
39.7 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.143 |
| Average: |
39.9 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.143 |
| 12 |
19 |
|
[CL]B:166 |
1 |
1 |
125 |
x |
B |
x,y,z |
1_555 |
7 |
4 |
8914 |
39.0 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.219 |
20 |
|
[CL]A:169 |
1 |
1 |
125 |
x |
A |
x,y,z |
1_555 |
7 |
4 |
8949 |
38.4 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.219 |
| Average: |
38.7 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.219 |
| 13 |
21 |
|
[IMD]A:171 |
3 |
1 |
200 |
f |
[FE]A:164 |
x,y,z |
1_555 |
1 |
1 |
137 |
33.8 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.131 |
22 |
|
[IMD]B:167 |
3 |
1 |
197 |
f |
[FE]B:162 |
x,y,z |
1_555 |
1 |
1 |
137 |
32.6 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.131 |
| Average: |
33.2 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.131 |
| 14 |
23 |
|
A |
5 |
2 |
8949 |
◊ |
A |
-x+1/2,y,-z-1/2 |
27_554 |
5 |
2 |
8949 |
32.5 |
0.5 |
0.788 |
0 |
0 |
0 |
0.000 |
24 |
|
B |
4 |
2 |
8914 |
◊ |
B |
x,-y-1/2,-z-1/2 |
16_544 |
4 |
2 |
8914 |
31.3 |
0.6 |
0.813 |
0 |
0 |
0 |
0.000 |
| Average: |
31.9 |
0.6 |
0.800 |
0 |
0 |
0 |
0.000 |
| 15 |
25 |
|
[FE]A:163 |
1 |
1 |
137 |
◊ |
B |
x,y,z |
1_555 |
5 |
2 |
8914 |
27.7 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.108 |
26 |
|
[FE]A:163 |
1 |
1 |
137 |
◊ |
A |
x,y,z |
1_555 |
5 |
2 |
8949 |
27.5 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.108 |
| Average: |
27.6 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.108 |
| 16 |
27 |
|
[CL]A:170 |
1 |
1 |
125 |
f |
[NA]A:168 |
x,y,z |
1_555 |
1 |
1 |
125 |
26.4 |
-5.3 |
0.000 |
0 |
0 |
0 |
0.100 |
|