## |
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 |
432 |
95 |
15867 |
◊ |
A |
x,y,z |
1_555 |
441 |
97 |
20535 |
4265.4 |
-56.1 |
0.012 |
54 |
11 |
0 |
0.743 |
2 |
|
F |
421 |
93 |
15672 |
◊ |
D |
x,y,z |
1_555 |
443 |
97 |
20496 |
4215.1 |
-55.3 |
0.010 |
56 |
8 |
0 |
0.743 |
Average: |
4240.2 |
-55.7 |
0.011 |
55 |
10 |
0 |
0.743 |
2 |
3 |
|
E |
160 |
40 |
6351 |
◊ |
A |
x,y,z |
1_555 |
197 |
52 |
20535 |
1702.3 |
-11.2 |
0.271 |
27 |
8 |
0 |
0.462 |
4 |
|
H |
159 |
39 |
6358 |
◊ |
D |
x,y,z |
1_555 |
188 |
51 |
20496 |
1699.7 |
-10.8 |
0.260 |
22 |
8 |
0 |
0.462 |
Average: |
1701.0 |
-11.0 |
0.266 |
25 |
8 |
0 |
0.462 |
3 |
5 |
|
C |
130 |
33 |
4895 |
◊ |
A |
x,y,z |
1_555 |
145 |
40 |
20535 |
1304.1 |
-16.1 |
0.058 |
19 |
2 |
0 |
0.475 |
6 |
|
G |
132 |
33 |
4909 |
◊ |
D |
x,y,z |
1_555 |
140 |
40 |
20496 |
1288.9 |
-16.9 |
0.046 |
19 |
3 |
0 |
0.475 |
Average: |
1296.5 |
-16.5 |
0.052 |
19 |
3 |
0 |
0.475 |
4 |
7 |
|
D |
71 |
22 |
20496 |
◊ |
A |
-x+1/2,-y,z-1/2 |
2_554 |
71 |
21 |
20535 |
588.7 |
3.0 |
0.931 |
4 |
0 |
0 |
0.000 |
5 |
8 |
|
F |
58 |
18 |
15672 |
◊ |
B |
x,y,z |
1_555 |
60 |
18 |
15867 |
502.2 |
-2.4 |
0.655 |
6 |
8 |
0 |
0.022 |
6 |
9 |
|
D |
41 |
11 |
20496 |
◊ |
A |
x,y,z |
1_555 |
43 |
13 |
20535 |
402.5 |
-6.2 |
0.155 |
0 |
0 |
0 |
0.022 |
7 |
10 |
|
D |
34 |
12 |
20496 |
◊ |
F |
x-1/2,-y-1/2,-z |
4_445 |
23 |
9 |
15672 |
258.4 |
0.6 |
0.783 |
2 |
2 |
0 |
0.000 |
11 |
|
A |
24 |
11 |
20535 |
◊ |
B |
x-1/2,-y+1/2,-z |
4_455 |
23 |
8 |
15867 |
227.1 |
1.9 |
0.888 |
3 |
1 |
0 |
0.000 |
Average: |
242.8 |
1.3 |
0.835 |
3 |
2 |
0 |
0.000 |
8 |
12 |
|
F |
22 |
5 |
15672 |
x |
F |
x-1/2,-y-1/2,-z |
4_445 |
32 |
13 |
15672 |
255.5 |
1.4 |
0.856 |
3 |
4 |
0 |
0.000 |
13 |
|
B |
22 |
6 |
15867 |
x |
B |
x-1/2,-y+1/2,-z |
4_455 |
26 |
11 |
15867 |
210.2 |
1.4 |
0.774 |
3 |
1 |
0 |
0.000 |
Average: |
232.8 |
1.4 |
0.815 |
3 |
3 |
0 |
0.000 |
9 |
14 |
|
H |
29 |
9 |
6358 |
◊ |
A |
x,y,z |
1_555 |
23 |
6 |
20535 |
242.8 |
1.2 |
0.757 |
4 |
4 |
0 |
0.009 |
15 |
|
E |
28 |
9 |
6351 |
◊ |
D |
x,y,z |
1_555 |
21 |
7 |
20496 |
216.5 |
0.6 |
0.714 |
3 |
4 |
0 |
0.009 |
Average: |
229.7 |
0.9 |
0.736 |
4 |
4 |
0 |
0.009 |
10 |
16 |
|
H |
27 |
9 |
6358 |
◊ |
B |
x,y,z |
1_555 |
23 |
8 |
15867 |
230.1 |
-0.1 |
0.654 |
3 |
2 |
0 |
0.011 |
17 |
|
E |
25 |
9 |
6351 |
◊ |
F |
x,y,z |
1_555 |
21 |
9 |
15672 |
198.9 |
0.1 |
0.669 |
3 |
2 |
0 |
0.011 |
Average: |
214.5 |
0.0 |
0.662 |
3 |
2 |
0 |
0.011 |
11 |
18 |
|
G |
18 |
7 |
4909 |
◊ |
E |
x-1/2,-y-1/2,-z |
4_445 |
21 |
8 |
6351 |
172.0 |
0.7 |
0.690 |
2 |
0 |
0 |
0.000 |
12 |
19 |
|
D |
13 |
4 |
20496 |
◊ |
E |
x-1/2,-y-1/2,-z |
4_445 |
12 |
4 |
6351 |
125.2 |
1.2 |
0.799 |
1 |
3 |
0 |
0.000 |
20 |
|
A |
8 |
3 |
20535 |
◊ |
H |
x-1/2,-y+1/2,-z |
4_455 |
3 |
1 |
6358 |
52.4 |
1.7 |
0.903 |
2 |
2 |
0 |
0.000 |
Average: |
88.8 |
1.5 |
0.851 |
2 |
3 |
0 |
0.000 |
13 |
21 |
|
[ACT]D:1428 |
4 |
1 |
184 |
f |
D |
x,y,z |
1_555 |
23 |
11 |
20496 |
79.8 |
-1.1 |
0.526 |
0 |
0 |
0 |
0.021 |
14 |
22 |
|
[ACT]A:1428 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
23 |
11 |
20535 |
78.8 |
-1.0 |
0.539 |
0 |
0 |
0 |
0.020 |
15 |
23 |
|
D |
13 |
5 |
20496 |
◊ |
B |
x-1/2,-y-1/2,-z |
4_445 |
13 |
6 |
15867 |
77.8 |
-0.4 |
0.616 |
0 |
0 |
0 |
0.000 |
24 |
|
A |
10 |
4 |
20535 |
◊ |
F |
x-1/2,-y+1/2,-z |
4_455 |
9 |
4 |
15672 |
63.8 |
-0.0 |
0.642 |
0 |
0 |
0 |
0.000 |
Average: |
70.8 |
-0.2 |
0.629 |
0 |
0 |
0 |
0.000 |
16 |
25 |
|
C |
6 |
3 |
4895 |
◊ |
H |
x-1/2,-y+1/2,-z |
4_455 |
11 |
4 |
6358 |
73.7 |
1.4 |
0.820 |
1 |
0 |
0 |
0.000 |
17 |
26 |
|
[FE]D:502 |
1 |
1 |
137 |
f |
D |
x,y,z |
1_555 |
15 |
8 |
20496 |
52.3 |
-9.3 |
0.000 |
0 |
0 |
0 |
0.363 |
27 |
|
[FE]A:501 |
1 |
1 |
137 |
f |
A |
x,y,z |
1_555 |
14 |
8 |
20535 |
51.7 |
-9.1 |
0.000 |
0 |
0 |
0 |
0.363 |
28 |
|
[FE]D:501 |
1 |
1 |
137 |
cf |
D |
x,y,z |
1_555 |
12 |
8 |
20496 |
48.2 |
-9.0 |
0.000 |
0 |
0 |
0 |
0.363 |
29 |
|
[FE]A:502 |
1 |
1 |
137 |
cf |
A |
x,y,z |
1_555 |
12 |
8 |
20535 |
47.6 |
-9.0 |
0.000 |
0 |
0 |
0 |
0.363 |
Average: |
50.0 |
-9.1 |
0.000 |
0 |
0 |
0 |
0.363 |
18 |
30 |
|
D |
6 |
3 |
20496 |
◊ |
A |
x-1/2,-y-1/2,-z |
4_445 |
5 |
3 |
20535 |
48.3 |
-1.3 |
0.212 |
0 |
0 |
0 |
0.000 |
31 |
|
A |
6 |
3 |
20535 |
◊ |
D |
x-1/2,-y+1/2,-z |
4_455 |
5 |
4 |
20496 |
42.8 |
-0.9 |
0.315 |
0 |
0 |
0 |
0.000 |
Average: |
45.6 |
-1.1 |
0.263 |
0 |
0 |
0 |
0.000 |
19 |
32 |
|
[ACT]A:1428 |
3 |
1 |
183 |
f |
[FE]A:502 |
x,y,z |
1_555 |
1 |
1 |
137 |
28.0 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.049 |
33 |
|
[ACT]D:1428 |
3 |
1 |
184 |
f |
[FE]D:501 |
x,y,z |
1_555 |
1 |
1 |
137 |
27.8 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.049 |
Average: |
27.9 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.049 |
20 |
34 |
|
[ACT]D:1428 |
3 |
1 |
184 |
f |
[FE]D:502 |
x,y,z |
1_555 |
1 |
1 |
137 |
27.1 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.043 |
35 |
|
[ACT]A:1428 |
3 |
1 |
183 |
f |
[FE]A:501 |
x,y,z |
1_555 |
1 |
1 |
137 |
26.8 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.043 |
Average: |
27.0 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.043 |
21 |
36 |
|
D |
6 |
4 |
20496 |
◊ |
C |
-x+1/2,-y,z-1/2 |
2_554 |
5 |
4 |
4895 |
22.8 |
0.2 |
0.694 |
0 |
0 |
0 |
0.000 |
22 |
37 |
|
[FE]A:502 |
1 |
1 |
137 |
f |
[FE]A:501 |
x,y,z |
1_555 |
1 |
1 |
137 |
22.5 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.086 |
23 |
38 |
|
[FE]D:502 |
1 |
1 |
137 |
f |
[FE]D:501 |
x,y,z |
1_555 |
1 |
1 |
137 |
22.5 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.089 |
24 |
39 |
|
B |
2 |
1 |
15867 |
◊ |
F |
x-1/2,-y+1/2,-z |
4_455 |
3 |
1 |
15672 |
19.6 |
0.4 |
0.819 |
0 |
0 |
0 |
0.000 |
25 |
40 |
|
B |
1 |
1 |
15867 |
◊ |
D |
x,y,z |
1_555 |
2 |
1 |
20496 |
13.9 |
0.6 |
0.900 |
0 |
0 |
0 |
0.000 |
41 |
|
F |
1 |
1 |
15672 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
20535 |
13.3 |
0.6 |
0.899 |
0 |
0 |
0 |
0.000 |
Average: |
13.6 |
0.6 |
0.900 |
0 |
0 |
0 |
0.000 |
26 |
42 |
|
G |
2 |
1 |
4909 |
◊ |
A |
x-1/2,-y-1/2,-z |
4_445 |
1 |
1 |
20535 |
4.1 |
0.3 |
0.806 |
0 |
0 |
0 |
0.000 |
27 |
43 |
|
D |
1 |
1 |
20496 |
◊ |
E |
-x+1/2,-y,z-1/2 |
2_554 |
1 |
1 |
6351 |
2.9 |
0.1 |
0.747 |
0 |
0 |
0 |
0.000 |
28 |
44 |
|
H |
1 |
1 |
6358 |
◊ |
E |
-x+1/2,-y,z-1/2 |
2_554 |
1 |
1 |
6351 |
1.0 |
0.1 |
0.713 |
0 |
0 |
0 |
0.000 |
29 |
45 |
|
F |
1 |
1 |
15672 |
◊ |
B |
x-1/2,-y-1/2,-z |
4_445 |
1 |
1 |
15867 |
0.5 |
0.0 |
0.709 |
0 |
0 |
0 |
0.000 |
|