## |
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 |
|
F |
294 |
73 |
13999 |
◊ |
B |
x,y,z |
1_555 |
290 |
73 |
14053 |
2848.4 |
-31.1 |
0.187 |
45 |
0 |
0 |
0.561 |
2 |
2 |
|
B |
55 |
17 |
14053 |
◊ |
F |
-x,y-1/2,-z-1/2 |
3_544 |
58 |
22 |
13999 |
496.0 |
-5.7 |
0.349 |
2 |
0 |
0 |
0.000 |
3 |
|
B |
50 |
18 |
14053 |
◊ |
F |
-x-1,y-1/2,-z-1/2 |
3_444 |
56 |
15 |
13999 |
475.3 |
-5.7 |
0.292 |
1 |
0 |
0 |
0.000 |
Average: |
485.7 |
-5.7 |
0.320 |
2 |
0 |
0 |
0.000 |
3 |
4 |
|
[CV3]B:402 |
24 |
1 |
515 |
f |
B |
x,y,z |
1_555 |
56 |
21 |
14053 |
361.4 |
-5.0 |
0.452 |
3 |
0 |
0 |
0.133 |
5 |
|
[CV3]F:402 |
24 |
1 |
515 |
f |
F |
x,y,z |
1_555 |
52 |
21 |
13999 |
357.2 |
-4.5 |
0.493 |
3 |
0 |
0 |
0.133 |
Average: |
359.3 |
-4.7 |
0.472 |
3 |
0 |
0 |
0.133 |
4 |
6 |
|
B |
19 |
4 |
14053 |
◊ |
F |
x-1/2,-y+1/2,-z |
4_455 |
19 |
4 |
13999 |
195.9 |
-6.0 |
0.033 |
0 |
0 |
0 |
0.000 |
5 |
7 |
|
B |
19 |
10 |
14053 |
◊ |
F |
x,y-1,z |
1_545 |
23 |
11 |
13999 |
160.0 |
-0.2 |
0.708 |
0 |
0 |
0 |
0.000 |
6 |
8 |
|
[SIN]B:403 |
8 |
1 |
252 |
f |
B |
x,y,z |
1_555 |
22 |
13 |
14053 |
142.2 |
2.2 |
0.488 |
3 |
0 |
0 |
0.000 |
9 |
|
[SIN]F:403 |
8 |
1 |
251 |
f |
F |
x,y,z |
1_555 |
22 |
12 |
13999 |
140.8 |
2.1 |
0.503 |
3 |
0 |
0 |
0.000 |
Average: |
141.5 |
2.1 |
0.496 |
3 |
0 |
0 |
0.000 |
7 |
10 |
|
F |
14 |
4 |
13999 |
◊ |
B |
x-1/2,-y+1/2,-z |
4_455 |
13 |
3 |
14053 |
121.8 |
-0.5 |
0.618 |
0 |
0 |
0 |
0.000 |
8 |
11 |
|
[FE]F:401 |
1 |
1 |
137 |
f |
F |
x,y,z |
1_555 |
10 |
6 |
13999 |
56.0 |
-8.8 |
0.000 |
0 |
0 |
0 |
0.184 |
12 |
|
[FE]B:401 |
1 |
1 |
137 |
f |
B |
x,y,z |
1_555 |
10 |
6 |
14053 |
54.4 |
-8.0 |
0.000 |
0 |
0 |
0 |
0.184 |
Average: |
55.2 |
-8.4 |
0.000 |
0 |
0 |
0 |
0.184 |
9 |
13 |
|
[CV3]B:402 |
10 |
1 |
515 |
◊ |
F |
x,y,z |
1_555 |
4 |
2 |
13999 |
51.6 |
-1.0 |
0.400 |
0 |
0 |
0 |
0.024 |
14 |
|
[CV3]F:402 |
10 |
1 |
515 |
◊ |
B |
x,y,z |
1_555 |
3 |
2 |
14053 |
48.5 |
-1.2 |
0.302 |
0 |
0 |
0 |
0.024 |
Average: |
50.0 |
-1.1 |
0.351 |
0 |
0 |
0 |
0.024 |
10 |
15 |
|
B |
6 |
2 |
14053 |
x |
B |
-x-1,y-1/2,-z-1/2 |
3_444 |
4 |
1 |
14053 |
45.3 |
-0.5 |
0.496 |
0 |
0 |
0 |
0.000 |
16 |
|
F |
4 |
1 |
13999 |
x |
F |
-x,y-1/2,-z-1/2 |
3_544 |
6 |
2 |
13999 |
45.0 |
-0.4 |
0.511 |
0 |
0 |
0 |
0.000 |
Average: |
45.1 |
-0.4 |
0.503 |
0 |
0 |
0 |
0.000 |
11 |
17 |
|
[SIN]B:403 |
3 |
1 |
252 |
f |
[CV3]B:402 |
x,y,z |
1_555 |
10 |
1 |
515 |
36.6 |
0.1 |
0.435 |
0 |
0 |
0 |
0.000 |
18 |
|
[SIN]F:403 |
3 |
1 |
251 |
f |
[CV3]F:402 |
x,y,z |
1_555 |
8 |
1 |
515 |
35.7 |
0.4 |
0.462 |
0 |
0 |
0 |
0.000 |
Average: |
36.1 |
0.2 |
0.449 |
0 |
0 |
0 |
0.000 |
12 |
19 |
|
F |
5 |
1 |
13999 |
x |
F |
-x-1,y-1/2,-z-1/2 |
3_444 |
4 |
2 |
13999 |
32.9 |
0.3 |
0.704 |
0 |
0 |
0 |
0.000 |
20 |
|
B |
4 |
2 |
14053 |
x |
B |
-x,y-1/2,-z-1/2 |
3_544 |
5 |
1 |
14053 |
32.6 |
0.4 |
0.738 |
0 |
0 |
0 |
0.000 |
Average: |
32.8 |
0.3 |
0.721 |
0 |
0 |
0 |
0.000 |
13 |
21 |
|
[CV3]F:402 |
12 |
1 |
515 |
f |
[FE]F:401 |
x,y,z |
1_555 |
1 |
1 |
137 |
31.0 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.077 |
22 |
|
[CV3]B:402 |
12 |
1 |
515 |
f |
[FE]B:401 |
x,y,z |
1_555 |
1 |
1 |
137 |
30.7 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.077 |
Average: |
30.8 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.077 |
14 |
23 |
|
F |
3 |
2 |
13999 |
x |
F |
x-1/2,-y+1/2,-z |
4_455 |
5 |
2 |
13999 |
28.2 |
0.3 |
0.735 |
0 |
0 |
0 |
0.000 |
24 |
|
B |
5 |
2 |
14053 |
x |
B |
x-1/2,-y+1/2,-z |
4_455 |
4 |
2 |
14053 |
24.4 |
0.2 |
0.720 |
0 |
0 |
0 |
0.000 |
Average: |
26.3 |
0.2 |
0.728 |
0 |
0 |
0 |
0.000 |
15 |
25 |
|
[SIN]B:403 |
3 |
1 |
252 |
f |
[FE]B:401 |
x,y,z |
1_555 |
1 |
1 |
137 |
26.0 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.044 |
26 |
|
[SIN]F:403 |
3 |
1 |
251 |
f |
[FE]F:401 |
x,y,z |
1_555 |
1 |
1 |
137 |
23.8 |
-1.9 |
0.000 |
0 |
0 |
0 |
0.044 |
Average: |
24.9 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.044 |
|