## |
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 |
467 |
117 |
24287 |
◊ |
C |
x,y,z |
1_555 |
460 |
127 |
19569 |
4415.9 |
-55.7 |
0.016 |
31 |
16 |
0 |
0.523 |
2 |
|
B |
460 |
116 |
23998 |
◊ |
A |
x,y,z |
1_555 |
458 |
126 |
19476 |
4377.9 |
-59.2 |
0.014 |
30 |
14 |
0 |
0.523 |
Average: |
4396.9 |
-57.4 |
0.015 |
31 |
15 |
0 |
0.523 |
2 |
3 |
|
D |
312 |
76 |
24287 |
◊ |
B |
x,y,z |
1_555 |
306 |
76 |
23998 |
2893.5 |
-22.5 |
0.450 |
31 |
26 |
0 |
0.668 |
3 |
4 |
|
B |
144 |
36 |
23998 |
◊ |
C |
x,y,z |
1_555 |
147 |
37 |
19569 |
1299.4 |
-17.3 |
0.165 |
6 |
6 |
0 |
0.309 |
5 |
|
D |
140 |
35 |
24287 |
◊ |
A |
x,y,z |
1_555 |
144 |
36 |
19476 |
1281.3 |
-16.0 |
0.207 |
9 |
6 |
0 |
0.309 |
Average: |
1290.3 |
-16.7 |
0.186 |
8 |
6 |
0 |
0.309 |
4 |
6 |
|
[ICS]C:502 |
17 |
1 |
487 |
f |
C |
x,y,z |
1_555 |
48 |
18 |
19569 |
315.5 |
-19.2 |
0.757 |
1 |
0 |
0 |
0.291 |
7 |
|
[ICS]A:503 |
17 |
1 |
487 |
f |
A |
x,y,z |
1_555 |
47 |
18 |
19476 |
313.7 |
-19.1 |
0.762 |
1 |
0 |
0 |
0.291 |
Average: |
314.6 |
-19.1 |
0.760 |
1 |
0 |
0 |
0.291 |
5 |
8 |
|
A |
32 |
10 |
19476 |
◊ |
D |
x,y,z-1 |
1_554 |
28 |
8 |
24287 |
272.4 |
-1.1 |
0.545 |
2 |
2 |
0 |
0.000 |
9 |
|
B |
25 |
7 |
23998 |
◊ |
C |
x,y,z-1 |
1_554 |
25 |
10 |
19569 |
234.7 |
-2.5 |
0.330 |
0 |
0 |
0 |
0.000 |
Average: |
253.6 |
-1.8 |
0.438 |
1 |
1 |
0 |
0.000 |
6 |
10 |
|
A |
24 |
6 |
19476 |
◊ |
C |
x,y,z-1 |
1_554 |
28 |
7 |
19569 |
212.2 |
1.3 |
0.860 |
1 |
2 |
0 |
0.000 |
7 |
11 |
|
[HCA]C:501 |
12 |
1 |
342 |
f |
C |
x,y,z |
1_555 |
35 |
16 |
19569 |
203.9 |
0.6 |
0.459 |
4 |
0 |
0 |
0.017 |
12 |
|
[HCA]A:502 |
13 |
1 |
342 |
f |
A |
x,y,z |
1_555 |
34 |
16 |
19476 |
199.9 |
0.7 |
0.477 |
4 |
0 |
0 |
0.017 |
Average: |
201.9 |
0.7 |
0.468 |
4 |
0 |
0 |
0.017 |
8 |
13 |
|
A |
21 |
7 |
19476 |
◊ |
D |
x-1,y,z-1 |
1_454 |
23 |
9 |
24287 |
197.4 |
-0.3 |
0.695 |
1 |
3 |
0 |
0.000 |
9 |
14 |
|
[CLF]A:501 |
12 |
1 |
457 |
f |
A |
x,y,z |
1_555 |
27 |
10 |
19476 |
183.6 |
-18.7 |
0.104 |
0 |
0 |
0 |
0.276 |
15 |
|
[CLF]D:601 |
12 |
1 |
457 |
f |
C |
x,y,z |
1_555 |
28 |
10 |
19569 |
182.6 |
-18.7 |
0.104 |
0 |
0 |
0 |
0.276 |
Average: |
183.1 |
-18.7 |
0.104 |
0 |
0 |
0 |
0.276 |
10 |
16 |
|
C |
18 |
7 |
19569 |
◊ |
D |
x-1,y,z |
1_455 |
29 |
10 |
24287 |
182.8 |
-1.5 |
0.526 |
0 |
1 |
0 |
0.000 |
11 |
17 |
|
[CLF]D:601 |
13 |
1 |
457 |
◊ |
D |
x,y,z |
1_555 |
23 |
11 |
24287 |
182.1 |
-18.0 |
0.083 |
0 |
0 |
0 |
0.130 |
18 |
|
[CLF]A:501 |
12 |
1 |
457 |
◊ |
B |
x,y,z |
1_555 |
23 |
11 |
23998 |
182.0 |
-17.9 |
0.080 |
0 |
0 |
0 |
0.130 |
Average: |
182.0 |
-18.0 |
0.082 |
0 |
0 |
0 |
0.130 |
12 |
19 |
|
C |
30 |
15 |
19569 |
◊ |
D |
-x+1,y-1/2,-z+1 |
2_646 |
18 |
11 |
24287 |
175.9 |
0.8 |
0.777 |
0 |
0 |
0 |
0.000 |
20 |
|
B |
12 |
7 |
23998 |
◊ |
A |
-x+1,y-1/2,-z |
2_645 |
19 |
10 |
19476 |
91.8 |
0.6 |
0.793 |
0 |
0 |
0 |
0.000 |
Average: |
133.8 |
0.7 |
0.785 |
0 |
0 |
0 |
0.000 |
13 |
21 |
|
A |
18 |
5 |
19476 |
x |
A |
-x+1,y-1/2,-z |
2_645 |
21 |
6 |
19476 |
171.8 |
-3.2 |
0.225 |
0 |
0 |
0 |
0.000 |
22 |
|
C |
18 |
6 |
19569 |
x |
C |
-x+1,y-1/2,-z+1 |
2_646 |
17 |
5 |
19569 |
170.0 |
-2.5 |
0.260 |
0 |
0 |
0 |
0.000 |
Average: |
170.9 |
-2.8 |
0.242 |
0 |
0 |
0 |
0.000 |
14 |
23 |
|
D |
13 |
4 |
24287 |
◊ |
B |
x-1,y,z |
1_455 |
16 |
6 |
23998 |
137.9 |
-1.1 |
0.487 |
0 |
0 |
0 |
0.000 |
15 |
24 |
|
[ICS]C:502 |
7 |
1 |
487 |
f |
[HCA]C:501 |
x,y,z |
1_555 |
7 |
1 |
342 |
66.9 |
-1.9 |
0.664 |
0 |
0 |
0 |
0.051 |
25 |
|
[ICS]A:503 |
7 |
1 |
487 |
f |
[HCA]A:502 |
x,y,z |
1_555 |
7 |
1 |
342 |
66.5 |
-3.5 |
0.454 |
0 |
0 |
0 |
0.051 |
Average: |
66.7 |
-2.7 |
0.559 |
0 |
0 |
0 |
0.051 |
16 |
26 |
|
[FE]D:602 |
1 |
1 |
137 |
f |
B |
x,y,z |
1_555 |
12 |
6 |
23998 |
46.0 |
-5.3 |
0.000 |
0 |
0 |
0 |
0.177 |
27 |
|
[FE]B:601 |
1 |
1 |
137 |
f |
D |
x,y,z |
1_555 |
11 |
5 |
24287 |
45.8 |
-5.3 |
0.000 |
0 |
0 |
0 |
0.177 |
Average: |
45.9 |
-5.3 |
0.000 |
0 |
0 |
0 |
0.177 |
17 |
28 |
|
[HCA]A:502 |
8 |
1 |
342 |
◊ |
B |
x,y,z |
1_555 |
6 |
3 |
23998 |
45.2 |
1.2 |
0.527 |
0 |
0 |
0 |
0.000 |
29 |
|
[HCA]C:501 |
7 |
1 |
342 |
◊ |
D |
x,y,z |
1_555 |
6 |
3 |
24287 |
36.0 |
0.8 |
0.482 |
0 |
0 |
0 |
0.000 |
Average: |
40.6 |
1.0 |
0.504 |
0 |
0 |
0 |
0.000 |
18 |
30 |
|
[FE]D:602 |
1 |
1 |
137 |
◊ |
D |
x,y,z |
1_555 |
7 |
3 |
24287 |
40.5 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.156 |
31 |
|
[FE]B:601 |
1 |
1 |
137 |
◊ |
B |
x,y,z |
1_555 |
7 |
3 |
23998 |
40.1 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.156 |
Average: |
40.3 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.156 |
19 |
32 |
|
[FE]D:602 |
1 |
1 |
137 |
◊ |
A |
x,y,z |
1_555 |
7 |
3 |
19476 |
32.8 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.024 |
33 |
|
[FE]B:601 |
1 |
1 |
137 |
◊ |
C |
x,y,z |
1_555 |
7 |
3 |
19569 |
32.1 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.024 |
Average: |
32.4 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.024 |
20 |
34 |
|
B |
5 |
2 |
23998 |
x |
B |
x-1,y,z |
1_455 |
5 |
2 |
23998 |
26.7 |
-0.4 |
0.501 |
0 |
0 |
0 |
0.000 |
21 |
35 |
|
C |
4 |
3 |
19569 |
◊ |
B |
x-1,y,z |
1_455 |
5 |
2 |
23998 |
21.7 |
-0.3 |
0.492 |
0 |
0 |
0 |
0.000 |
|