## |
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 |
426 |
94 |
15605 |
◊ |
D |
x,y,z |
1_555 |
445 |
98 |
20552 |
4249.3 |
-55.9 |
0.011 |
54 |
9 |
0 |
0.756 |
2 |
|
B |
424 |
94 |
15762 |
◊ |
A |
x,y,z |
1_555 |
447 |
97 |
20597 |
4211.3 |
-56.5 |
0.007 |
55 |
8 |
0 |
0.756 |
Average: |
4230.3 |
-56.2 |
0.009 |
55 |
9 |
0 |
0.756 |
2 |
3 |
|
E |
172 |
42 |
6345 |
◊ |
A |
x,y,z |
1_555 |
183 |
53 |
20597 |
1732.8 |
-7.7 |
0.374 |
27 |
10 |
0 |
0.477 |
4 |
|
H |
170 |
40 |
6438 |
◊ |
D |
x,y,z |
1_555 |
188 |
53 |
20552 |
1708.5 |
-9.6 |
0.367 |
30 |
10 |
0 |
0.477 |
Average: |
1720.7 |
-8.6 |
0.371 |
29 |
10 |
0 |
0.477 |
3 |
5 |
|
C |
133 |
33 |
4874 |
◊ |
A |
x,y,z |
1_555 |
143 |
40 |
20597 |
1286.6 |
-16.3 |
0.053 |
18 |
3 |
0 |
0.483 |
6 |
|
G |
137 |
33 |
4874 |
◊ |
D |
x,y,z |
1_555 |
132 |
39 |
20552 |
1263.2 |
-15.8 |
0.067 |
14 |
5 |
0 |
0.483 |
Average: |
1274.9 |
-16.0 |
0.060 |
16 |
4 |
0 |
0.483 |
4 |
7 |
|
D |
71 |
21 |
20552 |
◊ |
A |
-x+1/2,-y,z-1/2 |
2_554 |
73 |
23 |
20597 |
599.0 |
4.8 |
0.960 |
9 |
3 |
0 |
0.000 |
5 |
8 |
|
F |
55 |
17 |
15605 |
◊ |
B |
x,y,z |
1_555 |
53 |
17 |
15762 |
527.9 |
-2.1 |
0.661 |
4 |
5 |
0 |
0.016 |
6 |
9 |
|
D |
42 |
12 |
20552 |
◊ |
A |
x,y,z |
1_555 |
43 |
12 |
20597 |
413.6 |
-6.4 |
0.146 |
2 |
0 |
0 |
0.026 |
7 |
10 |
|
H |
28 |
9 |
6438 |
◊ |
B |
x,y,z |
1_555 |
25 |
8 |
15762 |
235.1 |
-0.1 |
0.660 |
3 |
2 |
0 |
0.012 |
11 |
|
E |
24 |
9 |
6345 |
◊ |
F |
x,y,z |
1_555 |
21 |
8 |
15605 |
195.0 |
0.1 |
0.660 |
3 |
2 |
0 |
0.012 |
Average: |
215.1 |
0.0 |
0.660 |
3 |
2 |
0 |
0.012 |
8 |
12 |
|
B |
36 |
14 |
15762 |
x |
B |
x-1/2,-y-1/2,-z |
4_445 |
22 |
6 |
15762 |
222.4 |
1.6 |
0.739 |
2 |
1 |
0 |
0.000 |
13 |
|
F |
25 |
10 |
15605 |
x |
F |
x-1/2,-y+1/2,-z |
4_455 |
15 |
6 |
15605 |
204.7 |
-0.8 |
0.540 |
2 |
1 |
0 |
0.000 |
Average: |
213.6 |
0.4 |
0.639 |
2 |
1 |
0 |
0.000 |
9 |
14 |
|
H |
29 |
8 |
6438 |
◊ |
A |
x,y,z |
1_555 |
20 |
7 |
20597 |
218.3 |
0.3 |
0.683 |
3 |
4 |
0 |
0.014 |
15 |
|
E |
26 |
8 |
6345 |
◊ |
D |
x,y,z |
1_555 |
22 |
8 |
20552 |
216.7 |
-0.0 |
0.657 |
4 |
4 |
0 |
0.014 |
Average: |
217.5 |
0.2 |
0.670 |
4 |
4 |
0 |
0.014 |
10 |
16 |
|
F |
19 |
7 |
15605 |
◊ |
D |
x-1/2,-y+1/2,-z |
4_455 |
28 |
11 |
20552 |
214.3 |
-0.3 |
0.682 |
4 |
5 |
0 |
0.000 |
17 |
|
B |
19 |
6 |
15762 |
◊ |
A |
x-1/2,-y-1/2,-z |
4_445 |
21 |
9 |
20597 |
149.9 |
2.3 |
0.876 |
3 |
1 |
0 |
0.000 |
Average: |
182.1 |
1.0 |
0.779 |
4 |
3 |
0 |
0.000 |
11 |
18 |
|
E |
20 |
8 |
6345 |
◊ |
G |
x-1/2,-y+1/2,-z |
4_455 |
18 |
7 |
4874 |
152.6 |
-0.6 |
0.539 |
1 |
0 |
0 |
0.000 |
12 |
19 |
|
E |
15 |
4 |
6345 |
◊ |
D |
x-1/2,-y+1/2,-z |
4_455 |
13 |
5 |
20552 |
131.5 |
1.1 |
0.780 |
2 |
2 |
0 |
0.000 |
13 |
20 |
|
B |
12 |
6 |
15762 |
◊ |
D |
x-1/2,-y+1/2,-z |
4_455 |
16 |
6 |
20552 |
91.4 |
-0.1 |
0.661 |
0 |
0 |
0 |
0.000 |
21 |
|
F |
12 |
4 |
15605 |
◊ |
A |
x-1/2,-y-1/2,-z |
4_445 |
10 |
4 |
20597 |
73.3 |
0.2 |
0.720 |
0 |
0 |
0 |
0.000 |
Average: |
82.4 |
0.1 |
0.690 |
0 |
0 |
0 |
0.000 |
14 |
22 |
|
H |
9 |
3 |
6438 |
◊ |
C |
x-1/2,-y-1/2,-z |
4_445 |
8 |
4 |
4874 |
61.8 |
1.4 |
0.833 |
1 |
0 |
0 |
0.000 |
15 |
23 |
|
[PER]D:601 |
2 |
1 |
124 |
f |
D |
x,y,z |
1_555 |
21 |
12 |
20552 |
58.0 |
0.1 |
0.647 |
0 |
0 |
0 |
0.000 |
16 |
24 |
|
[PER]A:601 |
2 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
17 |
11 |
20597 |
55.0 |
0.3 |
0.672 |
0 |
0 |
0 |
0.000 |
17 |
25 |
|
[FE]A:602 |
1 |
1 |
137 |
f |
A |
x,y,z |
1_555 |
12 |
7 |
20597 |
51.6 |
-9.1 |
0.000 |
0 |
0 |
0 |
0.379 |
26 |
|
[FE]D:602 |
1 |
1 |
137 |
f |
D |
x,y,z |
1_555 |
13 |
7 |
20552 |
50.1 |
-9.1 |
0.000 |
0 |
0 |
0 |
0.379 |
27 |
|
[FE]D:603 |
1 |
1 |
137 |
f |
D |
x,y,z |
1_555 |
9 |
5 |
20552 |
48.6 |
-9.1 |
0.000 |
0 |
0 |
0 |
0.379 |
28 |
|
[FE]A:603 |
1 |
1 |
137 |
f |
A |
x,y,z |
1_555 |
9 |
5 |
20597 |
48.1 |
-8.9 |
0.000 |
0 |
0 |
0 |
0.379 |
Average: |
49.6 |
-9.1 |
0.000 |
0 |
0 |
0 |
0.379 |
18 |
29 |
|
A |
5 |
3 |
20597 |
◊ |
D |
x-1/2,-y+1/2,-z |
4_455 |
6 |
3 |
20552 |
49.6 |
-1.6 |
0.141 |
0 |
0 |
0 |
0.000 |
30 |
|
D |
4 |
3 |
20552 |
◊ |
A |
x-1/2,-y-1/2,-z |
4_445 |
6 |
2 |
20597 |
47.1 |
-1.1 |
0.224 |
0 |
0 |
0 |
0.000 |
Average: |
48.4 |
-1.3 |
0.182 |
0 |
0 |
0 |
0.000 |
19 |
31 |
|
H |
3 |
1 |
6438 |
◊ |
A |
x-1/2,-y-1/2,-z |
4_445 |
8 |
3 |
20597 |
47.8 |
1.4 |
0.882 |
1 |
2 |
0 |
0.000 |
20 |
32 |
|
B |
3 |
1 |
15762 |
◊ |
F |
x-1/2,-y+1/2,-z |
4_455 |
3 |
1 |
15605 |
31.5 |
0.6 |
0.851 |
1 |
2 |
0 |
0.000 |
21 |
33 |
|
H |
2 |
2 |
6438 |
◊ |
A |
-x+1/2,-y,z-1/2 |
2_554 |
3 |
1 |
20597 |
25.6 |
0.0 |
0.500 |
0 |
0 |
0 |
0.000 |
22 |
34 |
|
D |
7 |
5 |
20552 |
◊ |
C |
-x+1/2,-y,z-1/2 |
2_554 |
4 |
3 |
4874 |
25.5 |
0.4 |
0.757 |
0 |
0 |
0 |
0.000 |
23 |
35 |
|
[FE]D:603 |
1 |
1 |
137 |
f |
[FE]D:602 |
x,y,z |
1_555 |
1 |
1 |
137 |
24.3 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.098 |
24 |
36 |
|
[FE]A:603 |
1 |
1 |
137 |
f |
[PER]A:601 |
x,y,z |
1_555 |
2 |
1 |
125 |
24.2 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.045 |
25 |
37 |
|
[FE]A:602 |
1 |
1 |
137 |
f |
[PER]A:601 |
x,y,z |
1_555 |
1 |
1 |
125 |
23.8 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.078 |
38 |
|
[FE]D:602 |
1 |
1 |
137 |
f |
[PER]D:601 |
x,y,z |
1_555 |
2 |
1 |
124 |
23.8 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.078 |
39 |
|
[FE]D:603 |
1 |
1 |
137 |
f |
[PER]D:601 |
x,y,z |
1_555 |
2 |
1 |
124 |
22.8 |
-1.9 |
0.000 |
0 |
0 |
0 |
0.078 |
Average: |
23.5 |
-1.9 |
0.000 |
0 |
0 |
0 |
0.078 |
26 |
40 |
|
[FE]A:603 |
1 |
1 |
137 |
f |
[FE]A:602 |
x,y,z |
1_555 |
1 |
1 |
137 |
23.7 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.100 |
27 |
41 |
|
B |
1 |
1 |
15762 |
◊ |
D |
x,y,z |
1_555 |
2 |
1 |
20552 |
14.7 |
0.7 |
0.925 |
0 |
0 |
0 |
0.000 |
42 |
|
F |
1 |
1 |
15605 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
20597 |
14.3 |
0.6 |
0.909 |
0 |
0 |
0 |
0.000 |
Average: |
14.5 |
0.7 |
0.917 |
0 |
0 |
0 |
0.000 |
28 |
43 |
|
H |
1 |
1 |
6438 |
◊ |
E |
-x+1/2,-y,z-1/2 |
2_554 |
1 |
1 |
6345 |
0.3 |
0.0 |
0.654 |
0 |
0 |
0 |
0.000 |
|