| ## |
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 |
|
D |
145 |
36 |
9277 |
◊ |
C |
x,y,z |
1_555 |
140 |
36 |
9296 |
1292.8 |
-3.3 |
0.544 |
21 |
10 |
0 |
0.364 |
2 |
|
B |
146 |
36 |
9139 |
◊ |
A |
x,y,z |
1_555 |
141 |
35 |
9184 |
1290.2 |
-3.1 |
0.613 |
21 |
11 |
0 |
0.364 |
| Average: |
1291.5 |
-3.2 |
0.579 |
21 |
11 |
0 |
0.364 |
| 2 |
3 |
|
C |
102 |
24 |
9296 |
x |
B |
-y+1,x-y,z |
2_655 |
122 |
33 |
9139 |
995.3 |
4.6 |
0.862 |
16 |
12 |
0 |
0.340 |
4 |
|
A |
118 |
31 |
9184 |
x |
B |
-y+1,x-y,z |
2_655 |
100 |
25 |
9139 |
982.0 |
3.5 |
0.827 |
19 |
18 |
0 |
0.340 |
5 |
|
C |
124 |
32 |
9296 |
x |
A |
x,y,z |
1_555 |
101 |
25 |
9184 |
981.2 |
1.9 |
0.762 |
15 |
12 |
0 |
0.340 |
6 |
|
D |
120 |
33 |
9277 |
x |
D |
-y+1,x-y,z |
2_655 |
99 |
25 |
9277 |
979.8 |
3.3 |
0.775 |
15 |
13 |
0 |
0.340 |
| Average: |
984.5 |
3.3 |
0.806 |
16 |
14 |
0 |
0.340 |
| 3 |
7 |
|
D |
56 |
13 |
9277 |
x |
B |
-y+1,x-y,z |
2_655 |
54 |
14 |
9139 |
505.4 |
-0.5 |
0.601 |
10 |
6 |
0 |
0.386 |
8 |
|
D |
53 |
12 |
9277 |
x |
C |
-y+1,x-y,z |
2_655 |
56 |
13 |
9296 |
498.1 |
-0.9 |
0.565 |
10 |
6 |
0 |
0.386 |
9 |
|
C |
58 |
14 |
9296 |
x |
B |
x,y,z |
1_555 |
55 |
13 |
9139 |
497.1 |
-0.1 |
0.619 |
11 |
7 |
0 |
0.386 |
10 |
|
A |
57 |
15 |
9184 |
x |
A |
-y+1,x-y,z |
2_655 |
57 |
13 |
9184 |
487.3 |
-1.7 |
0.520 |
8 |
2 |
0 |
0.386 |
| Average: |
497.0 |
-0.8 |
0.576 |
10 |
5 |
0 |
0.386 |
| 4 |
11 |
|
B |
34 |
11 |
9139 |
◊ |
B |
x-y+2/3,-y+4/3,-z+1/3 |
12_565 |
34 |
11 |
9139 |
322.4 |
-2.3 |
0.438 |
0 |
0 |
0 |
0.000 |
| 5 |
12 |
|
A |
17 |
3 |
9184 |
◊ |
B |
y-1/3,x-2/3,-z+1/3 |
10_445 |
19 |
7 |
9139 |
158.6 |
0.1 |
0.614 |
1 |
2 |
0 |
0.000 |
| 6 |
13 |
|
C |
11 |
5 |
9296 |
x |
C |
-y,x-y,z |
2_555 |
11 |
4 |
9296 |
97.0 |
0.6 |
0.672 |
2 |
0 |
0 |
0.000 |
| 7 |
14 |
|
D |
11 |
5 |
9277 |
◊ |
D |
y,x,-z |
4_555 |
10 |
4 |
9277 |
93.8 |
-0.8 |
0.440 |
2 |
0 |
0 |
0.000 |
| 8 |
15 |
|
D |
13 |
3 |
9277 |
◊ |
C |
y,x,-z |
4_555 |
10 |
2 |
9296 |
88.6 |
-1.7 |
0.279 |
1 |
1 |
0 |
0.000 |
| 9 |
16 |
|
B |
9 |
3 |
9139 |
◊ |
A |
x-y+2/3,-y+4/3,-z+1/3 |
12_565 |
10 |
3 |
9184 |
72.2 |
-0.2 |
0.560 |
0 |
0 |
0 |
0.000 |
| 10 |
17 |
|
[FE2]B:202 |
1 |
1 |
137 |
f |
B |
x,y,z |
1_555 |
8 |
3 |
9139 |
56.4 |
-6.9 |
0.000 |
0 |
0 |
0 |
0.419 |
18 |
|
[FE2]B:201 |
1 |
1 |
137 |
f |
A |
x,y,z |
1_555 |
8 |
3 |
9184 |
55.7 |
-6.5 |
0.000 |
0 |
0 |
0 |
0.419 |
19 |
|
[FE2]C:202 |
1 |
1 |
137 |
f |
C |
x,y,z |
1_555 |
8 |
3 |
9296 |
55.5 |
-6.6 |
0.000 |
0 |
0 |
0 |
0.419 |
20 |
|
[FE2]C:201 |
1 |
1 |
137 |
f |
D |
x,y,z |
1_555 |
8 |
3 |
9277 |
54.4 |
-6.3 |
0.000 |
0 |
0 |
0 |
0.419 |
| Average: |
55.5 |
-6.6 |
0.000 |
0 |
0 |
0 |
0.419 |
| 11 |
21 |
|
[FE2]C:201 |
1 |
1 |
137 |
◊ |
C |
x,y,z |
1_555 |
7 |
5 |
9296 |
50.1 |
-6.0 |
0.000 |
0 |
0 |
0 |
0.304 |
22 |
|
[FE2]C:202 |
1 |
1 |
137 |
◊ |
D |
x,y,z |
1_555 |
8 |
5 |
9277 |
50.0 |
-5.8 |
0.000 |
0 |
0 |
0 |
0.304 |
23 |
|
[FE2]B:201 |
1 |
1 |
137 |
◊ |
B |
x,y,z |
1_555 |
8 |
5 |
9139 |
49.4 |
-6.0 |
0.000 |
0 |
0 |
0 |
0.304 |
24 |
|
[FE2]B:202 |
1 |
1 |
137 |
◊ |
A |
x,y,z |
1_555 |
8 |
5 |
9184 |
47.9 |
-5.6 |
0.000 |
0 |
0 |
0 |
0.304 |
| Average: |
49.3 |
-5.8 |
0.000 |
0 |
0 |
0 |
0.304 |
| 12 |
25 |
|
A |
6 |
2 |
9184 |
◊ |
C |
-y,x-y,z |
2_555 |
5 |
2 |
9296 |
48.9 |
-0.7 |
0.379 |
0 |
0 |
0 |
0.000 |
| 13 |
26 |
|
[CL]A:202 |
1 |
1 |
125 |
x |
A |
x,y,z |
1_555 |
4 |
3 |
9184 |
47.2 |
-5.7 |
0.000 |
0 |
0 |
0 |
0.318 |
27 |
|
D |
4 |
3 |
9277 |
x |
[CL]B:204 |
-y+1,x-y,z |
2_655 |
1 |
1 |
125 |
39.1 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.318 |
28 |
|
[CL]B:204 |
1 |
1 |
125 |
x |
B |
x,y,z |
1_555 |
4 |
3 |
9139 |
38.7 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.318 |
29 |
|
[CL]B:204 |
1 |
1 |
125 |
x |
C |
x,y,z |
1_555 |
4 |
3 |
9296 |
38.1 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.318 |
| Average: |
40.8 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.318 |
| 14 |
30 |
|
C |
3 |
1 |
9296 |
x |
A |
-y+1,x-y,z |
2_655 |
5 |
2 |
9184 |
44.4 |
1.1 |
0.861 |
2 |
2 |
0 |
0.000 |
31 |
|
D |
5 |
3 |
9277 |
x |
A |
x,y,z |
1_555 |
3 |
1 |
9184 |
43.7 |
1.1 |
0.857 |
2 |
2 |
0 |
0.000 |
32 |
|
B |
4 |
2 |
9139 |
x |
B |
-y+1,x-y,z |
2_655 |
3 |
1 |
9139 |
43.0 |
1.4 |
0.892 |
2 |
2 |
0 |
0.000 |
33 |
|
C |
4 |
2 |
9296 |
x |
D |
-y+1,x-y,z |
2_655 |
3 |
1 |
9277 |
42.7 |
1.1 |
0.864 |
2 |
2 |
0 |
0.000 |
| Average: |
43.4 |
1.2 |
0.868 |
2 |
2 |
0 |
0.001 |
| 15 |
34 |
|
[MG]A:201 |
1 |
1 |
98 |
x |
A |
x,y,z |
1_555 |
7 |
3 |
9184 |
39.9 |
-5.8 |
0.000 |
0 |
0 |
0 |
0.322 |
35 |
|
[MG]B:203 |
1 |
1 |
98 |
x |
C |
x,y,z |
1_555 |
7 |
3 |
9296 |
26.5 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.322 |
36 |
|
[MG]B:203 |
1 |
1 |
98 |
x |
B |
x,y,z |
1_555 |
7 |
3 |
9139 |
26.4 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.322 |
37 |
|
D |
7 |
3 |
9277 |
x |
[MG]B:203 |
-y+1,x-y,z |
2_655 |
1 |
1 |
98 |
26.1 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.322 |
| Average: |
29.7 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.322 |
| 16 |
38 |
|
[MG]D:201 |
1 |
1 |
98 |
x |
D |
x,y,z |
1_555 |
5 |
2 |
9277 |
34.9 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.217 |
| 17 |
39 |
|
A |
3 |
2 |
9184 |
◊ |
A |
x-y+2/3,-y+4/3,-z+1/3 |
12_565 |
3 |
2 |
9184 |
34.4 |
-1.1 |
0.158 |
0 |
0 |
0 |
0.000 |
| 18 |
40 |
|
D |
1 |
1 |
9277 |
◊ |
[FE2]C:201 |
-y+1,x-y,z |
2_655 |
1 |
1 |
137 |
5.6 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.041 |
41 |
|
[FE2]C:202 |
1 |
1 |
137 |
◊ |
B |
-y+1,x-y,z |
2_655 |
1 |
1 |
9139 |
4.6 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.041 |
42 |
|
A |
1 |
1 |
9184 |
◊ |
[FE2]B:202 |
-y+1,x-y,z |
2_655 |
1 |
1 |
137 |
4.6 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.041 |
43 |
|
[FE2]B:201 |
1 |
1 |
137 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
9296 |
3.7 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.041 |
| Average: |
4.6 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.041 |
| 19 |
44 |
|
D |
1 |
1 |
9277 |
x |
D |
-x+1,-x+y,-z |
5_655 |
1 |
1 |
9277 |
0.7 |
-0.0 |
0.548 |
0 |
0 |
0 |
0.000 |
|