## |
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 |
|
C |
47 |
10 |
3447 |
◊ |
A |
x,y,z |
1_555 |
47 |
10 |
3500 |
442.7 |
-8.8 |
0.542 |
13 |
0 |
0 |
0.338 |
2 |
|
D |
45 |
10 |
3459 |
◊ |
B |
x,y,z |
1_555 |
48 |
10 |
3493 |
428.0 |
-6.2 |
0.603 |
13 |
0 |
0 |
0.338 |
Average: |
435.4 |
-7.5 |
0.573 |
13 |
0 |
0 |
0.338 |
2 |
3 |
|
C |
47 |
5 |
3447 |
◊ |
B |
x,y,z |
1_555 |
46 |
5 |
3493 |
330.7 |
0.2 |
0.796 |
2 |
0 |
0 |
0.019 |
4 |
|
D |
45 |
5 |
3459 |
◊ |
A |
x,y,z |
1_555 |
47 |
5 |
3500 |
328.1 |
1.4 |
0.869 |
2 |
0 |
0 |
0.019 |
Average: |
329.4 |
0.8 |
0.832 |
2 |
0 |
0 |
0.019 |
3 |
5 |
|
B |
27 |
6 |
3493 |
◊ |
A |
x,y,z |
1_555 |
27 |
5 |
3500 |
232.9 |
-4.5 |
0.529 |
12 |
0 |
0 |
0.267 |
6 |
|
D |
26 |
6 |
3459 |
◊ |
C |
x,y,z |
1_555 |
28 |
6 |
3447 |
217.4 |
-4.6 |
0.520 |
13 |
0 |
0 |
0.267 |
Average: |
225.2 |
-4.6 |
0.524 |
13 |
0 |
0 |
0.267 |
4 |
7 |
|
[F1R]A:103 |
25 |
1 |
573 |
f |
A |
x,y,z |
1_555 |
29 |
3 |
3500 |
217.7 |
-6.1 |
0.646 |
3 |
0 |
0 |
0.443 |
8 |
|
[F1R]B:103 |
25 |
1 |
576 |
f |
B |
x,y,z |
1_555 |
31 |
4 |
3493 |
216.6 |
-7.2 |
0.606 |
3 |
0 |
0 |
0.443 |
9 |
|
[F1R]C:101 |
22 |
1 |
579 |
f |
C |
x,y,z |
1_555 |
30 |
3 |
3447 |
209.7 |
-6.8 |
0.580 |
3 |
0 |
0 |
0.443 |
10 |
|
[F1R]D:101 |
21 |
1 |
574 |
f |
D |
x,y,z |
1_555 |
29 |
3 |
3459 |
202.4 |
-7.6 |
0.573 |
3 |
0 |
0 |
0.443 |
Average: |
211.6 |
-6.9 |
0.601 |
3 |
0 |
0 |
0.443 |
5 |
11 |
|
[F1R]A:103 |
16 |
1 |
573 |
◊ |
C |
x,y,z |
1_555 |
20 |
4 |
3447 |
139.3 |
-0.6 |
0.772 |
1 |
0 |
0 |
0.055 |
12 |
|
[F1R]D:101 |
14 |
1 |
574 |
◊ |
B |
x,y,z |
1_555 |
23 |
3 |
3493 |
137.4 |
-1.0 |
0.717 |
1 |
0 |
0 |
0.055 |
13 |
|
[F1R]C:101 |
15 |
1 |
579 |
◊ |
A |
x,y,z |
1_555 |
23 |
3 |
3500 |
133.8 |
-0.9 |
0.768 |
1 |
0 |
0 |
0.055 |
Average: |
136.9 |
-0.8 |
0.753 |
1 |
0 |
0 |
0.055 |
6 |
14 |
|
[F1R]B:103 |
15 |
1 |
576 |
◊ |
D |
x,y,z |
1_555 |
21 |
4 |
3459 |
139.0 |
-0.8 |
0.785 |
1 |
0 |
0 |
0.029 |
7 |
15 |
|
D |
18 |
2 |
3459 |
◊ |
A |
-x,y-1/2,-z |
2_545 |
14 |
1 |
3500 |
108.8 |
3.0 |
0.846 |
0 |
0 |
0 |
0.000 |
16 |
|
B |
14 |
1 |
3493 |
◊ |
C |
-x,y-1/2,-z+1 |
2_546 |
18 |
2 |
3447 |
107.4 |
3.0 |
0.826 |
0 |
0 |
0 |
0.000 |
17 |
|
C |
11 |
1 |
3447 |
◊ |
B |
-x+1,y-1/2,-z+1 |
2_646 |
16 |
2 |
3493 |
96.5 |
2.8 |
0.818 |
0 |
0 |
0 |
0.000 |
18 |
|
A |
18 |
2 |
3500 |
◊ |
D |
-x+1,y-1/2,-z+2 |
2_647 |
11 |
1 |
3459 |
93.4 |
2.9 |
0.859 |
0 |
0 |
0 |
0.000 |
Average: |
101.5 |
2.9 |
0.837 |
0 |
0 |
0 |
0.000 |
8 |
19 |
|
[F1R]B:103 |
10 |
1 |
576 |
◊ |
A |
x,y,z |
1_555 |
16 |
2 |
3500 |
92.2 |
1.5 |
0.896 |
0 |
0 |
0 |
0.000 |
20 |
|
[F1R]A:103 |
10 |
1 |
573 |
◊ |
B |
x,y,z |
1_555 |
14 |
1 |
3493 |
84.5 |
1.6 |
0.881 |
0 |
0 |
0 |
0.000 |
Average: |
88.4 |
1.5 |
0.889 |
0 |
0 |
0 |
0.000 |
9 |
21 |
|
[F1R]D:101 |
10 |
1 |
574 |
◊ |
C |
x,y,z |
1_555 |
16 |
1 |
3447 |
89.7 |
1.7 |
0.881 |
0 |
0 |
0 |
0.000 |
22 |
|
[F1R]C:101 |
10 |
1 |
579 |
◊ |
D |
x,y,z |
1_555 |
15 |
1 |
3459 |
87.0 |
1.8 |
0.890 |
0 |
0 |
0 |
0.000 |
Average: |
88.4 |
1.7 |
0.886 |
0 |
0 |
0 |
0.000 |
10 |
23 |
|
D |
8 |
1 |
3459 |
◊ |
C |
-x,y-1/2,-z+1 |
2_546 |
6 |
1 |
3447 |
60.5 |
-3.1 |
0.309 |
0 |
0 |
0 |
0.000 |
24 |
|
A |
9 |
1 |
3500 |
◊ |
B |
-x+1,y-1/2,-z+1 |
2_646 |
5 |
1 |
3493 |
48.8 |
-1.8 |
0.408 |
0 |
0 |
0 |
0.000 |
25 |
|
D |
6 |
1 |
3459 |
◊ |
C |
-x,y-1/2,-z |
2_545 |
11 |
1 |
3447 |
48.4 |
-1.3 |
0.488 |
0 |
0 |
0 |
0.000 |
26 |
|
A |
5 |
1 |
3500 |
◊ |
B |
-x+1,y-1/2,-z+2 |
2_647 |
7 |
1 |
3493 |
42.6 |
-1.6 |
0.421 |
0 |
0 |
0 |
0.000 |
Average: |
50.1 |
-1.9 |
0.407 |
0 |
0 |
0 |
0.000 |
11 |
27 |
|
[CO]A:101 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
11 |
3 |
3459 |
50.9 |
-5.6 |
0.000 |
0 |
0 |
0 |
0.286 |
28 |
|
[CO]B:101 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
8 |
3 |
3447 |
50.8 |
-5.6 |
0.000 |
0 |
0 |
0 |
0.286 |
29 |
|
[CO]A:102 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
10 |
3 |
3500 |
49.2 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.286 |
30 |
|
[CO]B:102 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
9 |
3 |
3493 |
46.2 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.286 |
Average: |
49.3 |
-5.3 |
0.000 |
0 |
0 |
0 |
0.286 |
12 |
31 |
|
A |
5 |
1 |
3500 |
◊ |
D |
-x+1,y-1/2,-z+1 |
2_646 |
5 |
1 |
3459 |
47.2 |
-1.0 |
0.425 |
0 |
0 |
0 |
0.000 |
32 |
|
C |
2 |
1 |
3447 |
◊ |
B |
-x+1,y-1/2,-z+2 |
2_647 |
2 |
1 |
3493 |
18.2 |
0.7 |
0.584 |
0 |
0 |
0 |
0.000 |
33 |
|
D |
3 |
1 |
3459 |
◊ |
A |
-x,y-1/2,-z+1 |
2_546 |
2 |
1 |
3500 |
10.0 |
0.2 |
0.536 |
0 |
0 |
0 |
0.000 |
Average: |
25.2 |
-0.1 |
0.515 |
0 |
0 |
0 |
0.000 |
13 |
34 |
|
[CO]B:102 |
1 |
1 |
125 |
◊ |
C |
x,y,z |
1_555 |
8 |
2 |
3447 |
41.6 |
-5.3 |
0.000 |
0 |
0 |
0 |
0.286 |
35 |
|
[CO]A:102 |
1 |
1 |
125 |
◊ |
D |
x,y,z |
1_555 |
8 |
2 |
3459 |
41.1 |
-5.3 |
0.000 |
0 |
0 |
0 |
0.286 |
36 |
|
[CO]B:101 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
9 |
2 |
3493 |
40.3 |
-5.3 |
0.000 |
0 |
0 |
0 |
0.286 |
37 |
|
[CO]A:101 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
9 |
2 |
3500 |
39.9 |
-5.3 |
0.000 |
0 |
0 |
0 |
0.286 |
Average: |
40.7 |
-5.3 |
0.000 |
0 |
0 |
0 |
0.286 |
14 |
38 |
|
D |
4 |
1 |
3459 |
x |
D |
-x+1,y-1/2,-z+2 |
2_647 |
3 |
1 |
3459 |
29.2 |
-1.4 |
0.343 |
0 |
0 |
0 |
0.000 |
39 |
|
B |
2 |
1 |
3493 |
x |
B |
-x,y-1/2,-z+1 |
2_546 |
4 |
1 |
3493 |
26.0 |
-1.0 |
0.344 |
0 |
0 |
0 |
0.000 |
40 |
|
C |
3 |
1 |
3447 |
x |
C |
-x+1,y-1/2,-z+1 |
2_646 |
2 |
1 |
3447 |
19.9 |
-0.6 |
0.372 |
0 |
0 |
0 |
0.000 |
41 |
|
A |
3 |
1 |
3500 |
x |
A |
-x,y-1/2,-z |
2_545 |
2 |
1 |
3500 |
10.5 |
-0.6 |
0.376 |
0 |
0 |
0 |
0.000 |
Average: |
21.4 |
-0.9 |
0.359 |
0 |
0 |
0 |
0.000 |
15 |
42 |
|
[F1R]A:103 |
5 |
1 |
573 |
◊ |
[CO]B:102 |
x,y,z |
1_555 |
1 |
1 |
125 |
24.3 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.113 |
43 |
|
[F1R]B:103 |
5 |
1 |
576 |
◊ |
[CO]A:102 |
x,y,z |
1_555 |
1 |
1 |
125 |
24.3 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.113 |
44 |
|
[F1R]C:101 |
5 |
1 |
579 |
◊ |
[CO]A:101 |
x,y,z |
1_555 |
1 |
1 |
125 |
22.6 |
-1.9 |
0.000 |
0 |
0 |
0 |
0.113 |
45 |
|
[F1R]D:101 |
5 |
1 |
574 |
◊ |
[CO]B:101 |
x,y,z |
1_555 |
1 |
1 |
125 |
21.5 |
-1.9 |
0.000 |
0 |
0 |
0 |
0.113 |
Average: |
23.2 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.113 |
16 |
46 |
|
A |
2 |
1 |
3500 |
◊ |
D |
x,y,z-1 |
1_554 |
3 |
1 |
3459 |
9.9 |
-0.5 |
0.392 |
0 |
0 |
0 |
0.000 |
17 |
47 |
|
D |
3 |
1 |
3459 |
◊ |
[F1R]A:103 |
-x,y-1/2,-z+1 |
2_546 |
1 |
1 |
573 |
7.8 |
-0.0 |
0.430 |
0 |
0 |
0 |
0.000 |
18 |
48 |
|
[CO]B:102 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
3500 |
1.0 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.001 |
|