| ## |
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 |
|
W |
302 |
77 |
16411 |
◊ |
A |
x,y,z |
1_555 |
294 |
71 |
9829 |
2976.7 |
-35.9 |
0.045 |
49 |
6 |
0 |
1.000 |
2 |
|
Z |
289 |
77 |
16415 |
◊ |
D |
x,y,z |
1_555 |
298 |
71 |
9949 |
2958.9 |
-38.0 |
0.019 |
47 |
7 |
0 |
1.000 |
3 |
|
Y |
295 |
75 |
16082 |
◊ |
C |
x,y,z |
1_555 |
298 |
70 |
9892 |
2946.5 |
-36.8 |
0.031 |
51 |
7 |
0 |
1.000 |
4 |
|
X |
292 |
79 |
16071 |
◊ |
B |
x,y,z |
1_555 |
312 |
71 |
9823 |
2905.6 |
-38.2 |
0.028 |
53 |
5 |
0 |
1.000 |
| Average: |
2946.9 |
-37.2 |
0.031 |
50 |
6 |
0 |
1.000 |
| 2 |
5 |
|
X |
118 |
35 |
16071 |
◊ |
W |
x,y,z |
1_555 |
122 |
33 |
16411 |
1110.1 |
-17.3 |
0.075 |
6 |
0 |
0 |
0.602 |
6 |
|
Z |
123 |
33 |
16415 |
◊ |
Y |
x,y,z |
1_555 |
117 |
32 |
16082 |
1085.4 |
-16.3 |
0.101 |
7 |
0 |
0 |
0.602 |
| Average: |
1097.7 |
-16.8 |
0.088 |
7 |
0 |
0 |
0.602 |
| 3 |
7 |
|
X |
72 |
24 |
16071 |
◊ |
Y |
-x+1/2,-y,z-1/2 |
2_554 |
59 |
18 |
16082 |
521.8 |
-1.7 |
0.710 |
4 |
1 |
0 |
0.000 |
| 4 |
8 |
|
W |
36 |
12 |
16411 |
◊ |
C |
x-1/2,-y-1/2,-z |
4_445 |
50 |
15 |
9892 |
395.1 |
-3.5 |
0.300 |
4 |
1 |
0 |
0.000 |
| 5 |
9 |
|
W |
42 |
11 |
16411 |
◊ |
D |
x,y,z |
1_555 |
40 |
10 |
9949 |
372.3 |
-1.6 |
0.578 |
3 |
2 |
0 |
0.000 |
10 |
|
Z |
38 |
10 |
16415 |
◊ |
A |
x,y,z |
1_555 |
42 |
11 |
9829 |
367.4 |
-3.9 |
0.376 |
3 |
2 |
0 |
0.000 |
| Average: |
369.8 |
-2.7 |
0.477 |
3 |
2 |
0 |
0.000 |
| 6 |
11 |
|
X |
28 |
12 |
16071 |
◊ |
A |
x,y,z |
1_555 |
33 |
10 |
9829 |
281.1 |
3.1 |
0.810 |
6 |
2 |
0 |
0.023 |
12 |
|
W |
31 |
13 |
16411 |
◊ |
B |
x,y,z |
1_555 |
27 |
9 |
9823 |
277.3 |
2.5 |
0.851 |
4 |
2 |
0 |
0.023 |
13 |
|
Z |
30 |
14 |
16415 |
◊ |
C |
x,y,z |
1_555 |
27 |
9 |
9892 |
275.6 |
0.8 |
0.707 |
6 |
2 |
0 |
0.023 |
14 |
|
Y |
33 |
11 |
16082 |
◊ |
D |
x,y,z |
1_555 |
27 |
8 |
9949 |
274.8 |
1.2 |
0.663 |
5 |
2 |
0 |
0.023 |
| Average: |
277.2 |
1.9 |
0.758 |
5 |
2 |
0 |
0.023 |
| 7 |
15 |
|
X |
23 |
8 |
16071 |
◊ |
D |
-x-1/2,-y,z-1/2 |
2_454 |
15 |
5 |
9949 |
190.5 |
-2.4 |
0.328 |
1 |
0 |
0 |
0.000 |
| 8 |
16 |
|
B |
13 |
3 |
9823 |
◊ |
D |
-x-1/2,-y,z-1/2 |
2_454 |
24 |
8 |
9949 |
174.5 |
0.3 |
0.638 |
0 |
2 |
0 |
0.000 |
| 9 |
17 |
|
X |
17 |
5 |
16071 |
◊ |
Y |
-x-1/2,-y,z-1/2 |
2_454 |
13 |
6 |
16082 |
168.1 |
-1.4 |
0.157 |
1 |
0 |
0 |
0.000 |
| 10 |
18 |
|
Z |
19 |
8 |
16415 |
◊ |
W |
x,y,z |
1_555 |
17 |
8 |
16411 |
124.8 |
-0.5 |
0.633 |
0 |
0 |
0 |
0.000 |
| 11 |
19 |
|
D |
9 |
3 |
9949 |
◊ |
A |
x-1,y,z |
1_455 |
10 |
3 |
9829 |
90.7 |
-0.3 |
0.587 |
1 |
0 |
0 |
0.000 |
| 12 |
20 |
|
W |
11 |
5 |
16411 |
◊ |
Y |
x-1/2,-y-1/2,-z |
4_445 |
13 |
3 |
16082 |
88.6 |
0.5 |
0.722 |
0 |
0 |
0 |
0.000 |
| 13 |
21 |
|
Z |
8 |
3 |
16415 |
◊ |
A |
x-1,y,z |
1_455 |
8 |
2 |
9829 |
74.2 |
-1.9 |
0.207 |
0 |
0 |
0 |
0.000 |
| 14 |
22 |
|
[FE]Z:500 |
1 |
1 |
137 |
f |
Z |
x,y,z |
1_555 |
9 |
5 |
16415 |
70.8 |
-13.5 |
0.000 |
0 |
0 |
0 |
0.411 |
23 |
|
[FE]W:500 |
1 |
1 |
137 |
f |
W |
x,y,z |
1_555 |
6 |
5 |
16411 |
69.7 |
-13.2 |
0.000 |
0 |
0 |
0 |
0.411 |
| Average: |
70.3 |
-13.3 |
0.000 |
0 |
0 |
0 |
0.411 |
| 15 |
24 |
|
Z |
3 |
1 |
16415 |
x |
Z |
x-1/2,-y-1/2,-z |
4_445 |
2 |
1 |
16415 |
18.5 |
-0.1 |
0.430 |
0 |
0 |
0 |
0.000 |
| 16 |
25 |
|
X |
3 |
2 |
16071 |
◊ |
Y |
x-1,y,z-1 |
1_454 |
1 |
1 |
16082 |
18.1 |
0.2 |
0.712 |
0 |
0 |
0 |
0.000 |
| 17 |
26 |
|
B |
1 |
1 |
9823 |
◊ |
Y |
-x-1/2,-y,z-1/2 |
2_454 |
2 |
1 |
16082 |
17.6 |
0.1 |
0.496 |
0 |
0 |
0 |
0.000 |
| 18 |
27 |
|
W |
2 |
1 |
16411 |
◊ |
A |
x-1,y,z |
1_455 |
2 |
2 |
9829 |
13.1 |
-0.2 |
0.462 |
0 |
0 |
0 |
0.000 |
| 19 |
28 |
|
A |
1 |
1 |
9829 |
◊ |
Y |
-x+1/2,-y,z-1/2 |
2_554 |
1 |
1 |
16082 |
8.4 |
0.2 |
0.820 |
0 |
0 |
0 |
0.000 |
| 20 |
29 |
|
D |
1 |
1 |
9949 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
9829 |
0.2 |
-0.0 |
0.632 |
0 |
0 |
0 |
0.000 |
|