## |
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 |
120 |
37 |
16242 |
◊ |
A |
x,y,z |
1_555 |
124 |
37 |
16711 |
1238.6 |
-13.7 |
0.055 |
12 |
0 |
0 |
0.481 |
2 |
|
D |
123 |
38 |
16404 |
◊ |
C |
x,y,z |
1_555 |
121 |
36 |
16018 |
1234.8 |
-14.5 |
0.044 |
12 |
0 |
0 |
0.481 |
Average: |
1236.7 |
-14.1 |
0.050 |
12 |
0 |
0 |
0.481 |
2 |
3 |
|
B |
56 |
17 |
16242 |
◊ |
A |
x,y-1,z |
1_545 |
56 |
17 |
16711 |
546.4 |
-0.8 |
0.556 |
5 |
0 |
0 |
0.000 |
4 |
|
D |
53 |
16 |
16404 |
◊ |
C |
x-1,y,z |
1_455 |
52 |
16 |
16018 |
520.0 |
0.4 |
0.675 |
4 |
0 |
0 |
0.000 |
Average: |
533.2 |
-0.2 |
0.616 |
5 |
0 |
0 |
0.000 |
3 |
5 |
|
C |
60 |
23 |
16018 |
◊ |
B |
x,y,z |
1_555 |
58 |
18 |
16242 |
525.7 |
1.5 |
0.760 |
6 |
1 |
0 |
0.000 |
4 |
6 |
|
B |
48 |
15 |
16242 |
x |
A |
-x+1,y-1/2,-z |
2_645 |
42 |
12 |
16711 |
387.5 |
0.7 |
0.666 |
3 |
4 |
0 |
0.000 |
7 |
|
D |
42 |
12 |
16404 |
x |
D |
-x,y-1/2,-z+1 |
2_546 |
46 |
15 |
16404 |
386.1 |
2.6 |
0.821 |
4 |
4 |
0 |
0.000 |
8 |
|
B |
44 |
11 |
16242 |
x |
A |
-x,y-1/2,-z |
2_545 |
45 |
17 |
16711 |
380.6 |
2.1 |
0.777 |
5 |
4 |
0 |
0.000 |
9 |
|
C |
45 |
16 |
16018 |
x |
C |
-x+1,y-1/2,-z+1 |
2_646 |
38 |
11 |
16018 |
359.4 |
2.4 |
0.825 |
6 |
6 |
0 |
0.000 |
Average: |
378.4 |
1.9 |
0.772 |
5 |
5 |
0 |
0.000 |
5 |
10 |
|
[MCF]C:504 |
21 |
1 |
478 |
f |
C |
x,y,z |
1_555 |
48 |
22 |
16018 |
336.2 |
-0.6 |
0.146 |
2 |
0 |
0 |
0.042 |
11 |
|
[MCF]B:504 |
21 |
1 |
474 |
f |
B |
x,y,z |
1_555 |
44 |
21 |
16242 |
333.7 |
-0.5 |
0.133 |
3 |
0 |
0 |
0.042 |
Average: |
335.0 |
-0.6 |
0.139 |
3 |
0 |
0 |
0.042 |
6 |
12 |
|
[MCF]D:507 |
21 |
1 |
472 |
f |
D |
x,y,z |
1_555 |
46 |
22 |
16404 |
332.9 |
-0.2 |
0.169 |
2 |
0 |
0 |
0.039 |
13 |
|
[MCF]A:506 |
20 |
1 |
480 |
f |
A |
x,y,z |
1_555 |
49 |
23 |
16711 |
321.3 |
-0.4 |
0.173 |
3 |
0 |
0 |
0.039 |
Average: |
327.1 |
-0.3 |
0.171 |
3 |
0 |
0 |
0.039 |
7 |
14 |
|
C |
29 |
7 |
16018 |
◊ |
D |
x,y-1,z |
1_545 |
34 |
8 |
16404 |
293.9 |
1.0 |
0.628 |
4 |
0 |
0 |
0.000 |
15 |
|
A |
31 |
7 |
16711 |
◊ |
B |
x-1,y,z |
1_455 |
27 |
7 |
16242 |
286.3 |
1.7 |
0.764 |
3 |
0 |
0 |
0.000 |
Average: |
290.1 |
1.4 |
0.696 |
4 |
0 |
0 |
0.000 |
8 |
16 |
|
[EDO]A:504 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
19 |
8 |
16711 |
107.3 |
2.8 |
0.418 |
6 |
0 |
0 |
0.000 |
9 |
17 |
|
[EDO]D:506 |
4 |
1 |
185 |
◊ |
D |
x,y,z |
1_555 |
16 |
7 |
16404 |
107.3 |
2.9 |
0.343 |
2 |
0 |
0 |
0.000 |
10 |
18 |
|
[EDO]B:503 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
14 |
7 |
16242 |
102.7 |
3.5 |
0.495 |
5 |
0 |
0 |
0.000 |
11 |
19 |
|
[EDO]C:502 |
4 |
1 |
183 |
f |
C |
x,y,z |
1_555 |
13 |
7 |
16018 |
101.6 |
3.5 |
0.497 |
5 |
0 |
0 |
0.000 |
12 |
20 |
|
[EDO]A:502 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
17 |
8 |
16711 |
99.2 |
1.8 |
0.287 |
1 |
0 |
0 |
0.000 |
13 |
21 |
|
[EDO]B:502 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
15 |
6 |
16242 |
98.2 |
2.7 |
0.426 |
1 |
0 |
0 |
0.000 |
14 |
22 |
|
[EDO]D:503 |
4 |
1 |
184 |
f |
D |
x,y,z |
1_555 |
12 |
4 |
16404 |
83.4 |
2.7 |
0.464 |
1 |
0 |
0 |
0.000 |
15 |
23 |
|
[EDO]A:503 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
16 |
6 |
16711 |
82.4 |
1.7 |
0.193 |
1 |
0 |
0 |
0.000 |
16 |
24 |
|
C |
10 |
5 |
16018 |
◊ |
A |
x,y-1,z |
1_545 |
12 |
3 |
16711 |
81.9 |
-1.0 |
0.349 |
0 |
0 |
0 |
0.000 |
25 |
|
D |
9 |
2 |
16404 |
◊ |
B |
x-1,y,z |
1_455 |
7 |
4 |
16242 |
75.3 |
-0.8 |
0.355 |
0 |
0 |
0 |
0.000 |
Average: |
78.6 |
-0.9 |
0.352 |
0 |
0 |
0 |
0.000 |
17 |
26 |
|
[EDO]D:504 |
4 |
1 |
184 |
f |
D |
x,y,z |
1_555 |
7 |
5 |
16404 |
69.5 |
1.8 |
0.242 |
1 |
0 |
0 |
0.000 |
18 |
27 |
|
D |
6 |
2 |
16404 |
◊ |
A |
x,y,z |
1_555 |
6 |
2 |
16711 |
69.4 |
1.7 |
0.891 |
3 |
0 |
0 |
0.000 |
19 |
28 |
|
[EDO]A:505 |
4 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
7 |
4 |
16242 |
53.4 |
0.9 |
0.631 |
0 |
0 |
0 |
0.000 |
20 |
29 |
|
[FE]D:501 |
1 |
1 |
137 |
f |
D |
x,y,z |
1_555 |
9 |
4 |
16404 |
52.7 |
-9.3 |
0.000 |
0 |
0 |
0 |
0.453 |
30 |
|
[FE]C:501 |
1 |
1 |
137 |
f |
C |
x,y,z |
1_555 |
10 |
4 |
16018 |
52.2 |
-9.3 |
0.000 |
0 |
0 |
0 |
0.453 |
31 |
|
[FE]B:501 |
1 |
1 |
137 |
f |
B |
x,y,z |
1_555 |
10 |
4 |
16242 |
52.1 |
-9.3 |
0.000 |
0 |
0 |
0 |
0.453 |
32 |
|
[FE]A:501 |
1 |
1 |
137 |
f |
A |
x,y,z |
1_555 |
10 |
4 |
16711 |
52.0 |
-9.3 |
0.000 |
0 |
0 |
0 |
0.453 |
Average: |
52.3 |
-9.3 |
0.000 |
0 |
0 |
0 |
0.453 |
21 |
33 |
|
[EDO]C:503 |
4 |
1 |
184 |
◊ |
C |
x,y,z |
1_555 |
8 |
2 |
16018 |
50.9 |
1.6 |
0.823 |
1 |
0 |
0 |
0.000 |
22 |
34 |
|
[EDO]A:505 |
2 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
7 |
5 |
16711 |
48.0 |
1.4 |
0.582 |
0 |
0 |
0 |
0.000 |
23 |
35 |
|
[EDO]C:503 |
4 |
1 |
184 |
◊ |
A |
x,y-1,z |
1_545 |
4 |
2 |
16711 |
44.2 |
1.1 |
0.903 |
1 |
0 |
0 |
0.000 |
24 |
36 |
|
[MCF]B:504 |
10 |
1 |
474 |
f |
[FE]B:501 |
x,y,z |
1_555 |
1 |
1 |
137 |
41.7 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.172 |
37 |
|
[MCF]C:504 |
9 |
1 |
478 |
f |
[FE]C:501 |
x,y,z |
1_555 |
1 |
1 |
137 |
41.1 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.172 |
38 |
|
[MCF]D:507 |
10 |
1 |
472 |
f |
[FE]D:501 |
x,y,z |
1_555 |
1 |
1 |
137 |
41.1 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.172 |
39 |
|
[MCF]A:506 |
9 |
1 |
480 |
f |
[FE]A:501 |
x,y,z |
1_555 |
1 |
1 |
137 |
39.9 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.172 |
Average: |
40.9 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.172 |
25 |
40 |
|
[MCF]A:506 |
4 |
1 |
480 |
f |
[EDO]A:502 |
x,y,z |
1_555 |
3 |
1 |
185 |
41.3 |
0.5 |
0.528 |
3 |
0 |
0 |
0.019 |
26 |
41 |
|
B |
7 |
3 |
16242 |
x |
B |
-x+1,y-1/2,-z |
2_645 |
12 |
6 |
16242 |
37.9 |
-0.1 |
0.608 |
0 |
0 |
0 |
0.000 |
42 |
|
C |
6 |
2 |
16018 |
x |
D |
-x+1,y-1/2,-z+1 |
2_646 |
7 |
3 |
16404 |
28.8 |
-0.4 |
0.466 |
0 |
0 |
0 |
0.000 |
43 |
|
C |
10 |
6 |
16018 |
x |
D |
-x,y-1/2,-z+1 |
2_546 |
7 |
3 |
16404 |
24.7 |
-0.2 |
0.540 |
0 |
0 |
0 |
0.000 |
44 |
|
A |
9 |
3 |
16711 |
x |
A |
-x,y-1/2,-z |
2_545 |
5 |
2 |
16711 |
22.3 |
-0.4 |
0.436 |
0 |
0 |
0 |
0.000 |
Average: |
28.4 |
-0.3 |
0.513 |
0 |
0 |
0 |
0.000 |
27 |
45 |
|
[EDO]D:505 |
4 |
1 |
186 |
f |
[EDO]D:502 |
x,y,z |
1_555 |
2 |
1 |
185 |
35.5 |
1.5 |
1.000 |
0 |
0 |
0 |
0.000 |
28 |
46 |
|
[EDO]C:503 |
2 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
3 |
1 |
16242 |
34.0 |
0.1 |
0.272 |
0 |
0 |
0 |
0.000 |
29 |
47 |
|
[EDO]D:506 |
2 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
3 |
2 |
16018 |
14.7 |
0.2 |
0.578 |
0 |
0 |
0 |
0.000 |
30 |
48 |
|
B |
2 |
1 |
16242 |
f |
[EDO]A:503 |
-x+1,y-1/2,-z |
2_645 |
1 |
1 |
185 |
6.5 |
-0.0 |
0.649 |
0 |
0 |
0 |
0.000 |
31 |
49 |
|
D |
2 |
1 |
16404 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
16242 |
5.2 |
-0.1 |
0.433 |
0 |
0 |
0 |
0.000 |
32 |
50 |
|
[EDO]A:505 |
1 |
1 |
184 |
f |
A |
-x,y-1/2,-z |
2_545 |
1 |
1 |
16711 |
2.4 |
0.1 |
0.907 |
0 |
0 |
0 |
0.000 |
|