## |
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 |
40 |
9 |
3218 |
◊ |
B |
x,y,z |
1_555 |
39 |
9 |
3261 |
374.4 |
-6.7 |
0.528 |
8 |
0 |
0 |
0.299 |
2 |
|
C |
40 |
9 |
3261 |
◊ |
A |
x,y,z |
1_555 |
41 |
9 |
3303 |
374.4 |
-7.6 |
0.538 |
8 |
0 |
0 |
0.299 |
Average: |
374.4 |
-7.2 |
0.533 |
8 |
0 |
0 |
0.299 |
2 |
3 |
|
D |
48 |
5 |
3218 |
◊ |
A |
x,y,z |
1_555 |
48 |
5 |
3303 |
335.6 |
0.1 |
0.812 |
2 |
0 |
0 |
0.024 |
4 |
|
C |
48 |
5 |
3261 |
◊ |
B |
x,y,z |
1_555 |
45 |
5 |
3261 |
326.9 |
1.0 |
0.833 |
2 |
0 |
0 |
0.024 |
Average: |
331.3 |
0.5 |
0.822 |
2 |
0 |
0 |
0.024 |
3 |
5 |
|
B |
28 |
6 |
3261 |
◊ |
A |
x,y,z |
1_555 |
27 |
6 |
3303 |
229.7 |
-4.2 |
0.548 |
12 |
0 |
0 |
0.308 |
6 |
|
D |
24 |
6 |
3218 |
◊ |
C |
x,y,z |
1_555 |
24 |
6 |
3261 |
216.5 |
-4.9 |
0.471 |
12 |
0 |
0 |
0.308 |
Average: |
223.1 |
-4.5 |
0.510 |
12 |
0 |
0 |
0.308 |
4 |
7 |
|
[F1R]B:103 |
22 |
1 |
575 |
f |
B |
x,y,z |
1_555 |
29 |
3 |
3261 |
214.3 |
-7.3 |
0.573 |
2 |
0 |
0 |
0.485 |
8 |
|
[F1R]C:101 |
23 |
1 |
573 |
f |
C |
x,y,z |
1_555 |
29 |
3 |
3261 |
214.2 |
-6.9 |
0.595 |
2 |
0 |
0 |
0.485 |
9 |
|
[F1R]A:103 |
23 |
1 |
573 |
f |
A |
x,y,z |
1_555 |
30 |
3 |
3303 |
212.3 |
-7.6 |
0.590 |
2 |
0 |
0 |
0.485 |
10 |
|
[F1R]D:101 |
24 |
1 |
579 |
f |
D |
x,y,z |
1_555 |
26 |
3 |
3218 |
211.1 |
-5.9 |
0.620 |
2 |
0 |
0 |
0.485 |
Average: |
213.0 |
-6.9 |
0.594 |
2 |
0 |
0 |
0.485 |
5 |
11 |
|
[F1R]A:103 |
17 |
1 |
573 |
◊ |
C |
x,y,z |
1_555 |
22 |
3 |
3261 |
142.1 |
-0.8 |
0.787 |
1 |
0 |
0 |
0.080 |
12 |
|
[F1R]C:101 |
14 |
1 |
573 |
◊ |
A |
x,y,z |
1_555 |
23 |
4 |
3303 |
138.8 |
-1.2 |
0.751 |
1 |
0 |
0 |
0.080 |
13 |
|
[F1R]B:103 |
13 |
1 |
575 |
◊ |
D |
x,y,z |
1_555 |
22 |
3 |
3218 |
137.7 |
-1.0 |
0.738 |
1 |
0 |
0 |
0.080 |
14 |
|
[F1R]D:101 |
15 |
1 |
579 |
◊ |
B |
x,y,z |
1_555 |
21 |
4 |
3261 |
130.9 |
-1.0 |
0.758 |
1 |
0 |
0 |
0.080 |
Average: |
137.4 |
-1.0 |
0.759 |
1 |
0 |
0 |
0.080 |
6 |
15 |
|
[BRU]B:1 |
13 |
1 |
454 |
cf |
B |
x,y,z |
1_555 |
13 |
1 |
3261 |
119.4 |
1.5 |
0.694 |
0 |
0 |
0 |
0.000 |
16 |
|
[BRU]A:1 |
12 |
1 |
448 |
cf |
A |
x,y,z |
1_555 |
16 |
1 |
3303 |
115.6 |
1.4 |
0.657 |
0 |
0 |
0 |
0.000 |
Average: |
117.5 |
1.4 |
0.676 |
0 |
0 |
0 |
0.000 |
7 |
17 |
|
[BRU]D:1 |
13 |
1 |
424 |
cf |
D |
x,y,z |
1_555 |
13 |
1 |
3218 |
111.4 |
1.7 |
0.705 |
0 |
0 |
0 |
0.000 |
8 |
18 |
|
[BRU]C:1 |
13 |
1 |
433 |
cf |
C |
x,y,z |
1_555 |
13 |
1 |
3261 |
106.0 |
2.2 |
0.757 |
0 |
0 |
0 |
0.000 |
9 |
19 |
|
B |
17 |
2 |
3261 |
◊ |
C |
-x,y-1/2,-z+1 |
2_546 |
13 |
1 |
3261 |
103.8 |
2.8 |
0.813 |
0 |
0 |
0 |
0.000 |
20 |
|
D |
14 |
1 |
3218 |
◊ |
A |
-x,y-1/2,-z |
2_545 |
16 |
2 |
3303 |
102.6 |
3.5 |
0.859 |
0 |
0 |
0 |
0.000 |
21 |
|
C |
17 |
2 |
3261 |
◊ |
B |
-x-1,y-1/2,-z-1 |
2_444 |
14 |
1 |
3261 |
102.6 |
3.2 |
0.846 |
0 |
0 |
0 |
0.000 |
22 |
|
A |
13 |
1 |
3303 |
◊ |
D |
-x-1,y-1/2,-z |
2_445 |
18 |
2 |
3218 |
101.5 |
2.9 |
0.824 |
0 |
0 |
0 |
0.000 |
Average: |
102.6 |
3.1 |
0.836 |
0 |
0 |
0 |
0.000 |
10 |
23 |
|
[F1R]A:103 |
10 |
1 |
573 |
◊ |
B |
x,y,z |
1_555 |
16 |
2 |
3261 |
90.8 |
1.8 |
0.883 |
0 |
0 |
0 |
0.000 |
24 |
|
[F1R]B:103 |
11 |
1 |
575 |
◊ |
A |
x,y,z |
1_555 |
15 |
1 |
3303 |
89.2 |
1.7 |
0.892 |
0 |
0 |
0 |
0.000 |
25 |
|
[F1R]C:101 |
11 |
1 |
573 |
◊ |
D |
x,y,z |
1_555 |
14 |
1 |
3218 |
85.9 |
1.5 |
0.883 |
0 |
0 |
0 |
0.000 |
26 |
|
[F1R]D:101 |
11 |
1 |
579 |
◊ |
C |
x,y,z |
1_555 |
14 |
1 |
3261 |
82.8 |
1.3 |
0.874 |
1 |
0 |
0 |
0.000 |
Average: |
87.2 |
1.5 |
0.883 |
0 |
0 |
0 |
0.000 |
11 |
27 |
|
[BRU]C:1 |
5 |
1 |
433 |
◊ |
A |
x,y,z |
1_555 |
5 |
2 |
3303 |
57.8 |
1.0 |
0.626 |
2 |
0 |
0 |
0.000 |
12 |
28 |
|
[BRU]B:1 |
5 |
1 |
454 |
◊ |
D |
x,y,z |
1_555 |
6 |
2 |
3218 |
57.2 |
0.9 |
0.621 |
2 |
0 |
0 |
0.000 |
29 |
|
[BRU]D:1 |
5 |
1 |
424 |
◊ |
B |
x,y,z |
1_555 |
5 |
2 |
3261 |
56.5 |
1.0 |
0.619 |
2 |
0 |
0 |
0.000 |
Average: |
56.8 |
0.9 |
0.620 |
2 |
0 |
0 |
0.000 |
13 |
30 |
|
[BRU]A:1 |
5 |
1 |
448 |
◊ |
C |
x,y,z |
1_555 |
6 |
3 |
3261 |
55.2 |
0.8 |
0.576 |
2 |
0 |
0 |
0.002 |
14 |
31 |
|
[BRU]B:1 |
5 |
1 |
454 |
◊ |
C |
-x,y-1/2,-z |
2_545 |
7 |
1 |
3261 |
52.6 |
-1.0 |
0.413 |
0 |
0 |
0 |
0.000 |
15 |
32 |
|
C |
5 |
1 |
3261 |
◊ |
[BRU]D:1 |
-x-1,y-1/2,-z-1 |
2_444 |
12 |
1 |
424 |
52.4 |
-0.7 |
0.431 |
0 |
0 |
0 |
0.000 |
16 |
33 |
|
D |
5 |
1 |
3218 |
◊ |
[BRU]A:1 |
-x,y-1/2,-z+1 |
2_546 |
4 |
1 |
448 |
52.2 |
1.2 |
0.634 |
0 |
0 |
0 |
0.000 |
17 |
34 |
|
[BRU]C:1 |
11 |
1 |
433 |
◊ |
D |
-x-1,y-1/2,-z |
2_445 |
5 |
1 |
3218 |
51.8 |
-1.1 |
0.385 |
0 |
0 |
0 |
0.000 |
18 |
35 |
|
[BRU]B:1 |
11 |
1 |
454 |
◊ |
A |
-x,y-1/2,-z |
2_545 |
5 |
1 |
3303 |
51.1 |
-0.6 |
0.445 |
0 |
0 |
0 |
0.000 |
19 |
36 |
|
[CO]A:102 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
10 |
3 |
3303 |
50.2 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.322 |
37 |
|
[CO]B:101 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
8 |
3 |
3261 |
49.9 |
-5.3 |
0.000 |
0 |
0 |
0 |
0.322 |
38 |
|
[CO]A:101 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
9 |
3 |
3218 |
48.7 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.322 |
39 |
|
[CO]B:102 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
10 |
3 |
3261 |
48.0 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.322 |
Average: |
49.2 |
-5.3 |
0.000 |
0 |
0 |
0 |
0.322 |
20 |
40 |
|
[BRU]C:1 |
7 |
1 |
433 |
◊ |
B |
-x-1,y-1/2,-z |
2_445 |
5 |
1 |
3261 |
48.9 |
-0.2 |
0.522 |
0 |
0 |
0 |
0.000 |
21 |
41 |
|
B |
5 |
1 |
3261 |
◊ |
[BRU]A:1 |
-x,y-1/2,-z+1 |
2_546 |
11 |
1 |
448 |
42.3 |
-0.6 |
0.401 |
0 |
0 |
0 |
0.000 |
22 |
42 |
|
A |
5 |
1 |
3303 |
◊ |
[BRU]D:1 |
-x-1,y-1/2,-z-1 |
2_444 |
5 |
1 |
424 |
42.1 |
-0.5 |
0.477 |
0 |
0 |
0 |
0.000 |
23 |
43 |
|
[CO]B:101 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
10 |
2 |
3261 |
41.1 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.321 |
44 |
|
[CO]A:101 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
9 |
2 |
3303 |
41.0 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.321 |
45 |
|
[CO]B:102 |
1 |
1 |
125 |
◊ |
C |
x,y,z |
1_555 |
10 |
2 |
3261 |
40.7 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.321 |
46 |
|
[CO]A:102 |
1 |
1 |
125 |
◊ |
D |
x,y,z |
1_555 |
10 |
2 |
3218 |
40.5 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.321 |
Average: |
40.8 |
-5.3 |
0.000 |
0 |
0 |
0 |
0.321 |
24 |
47 |
|
C |
2 |
1 |
3261 |
x |
C |
-x,y-1/2,-z+1 |
2_546 |
3 |
1 |
3261 |
27.3 |
-0.8 |
0.365 |
0 |
0 |
0 |
0.000 |
48 |
|
A |
3 |
1 |
3303 |
x |
A |
-x-1,y-1/2,-z |
2_445 |
4 |
1 |
3303 |
22.8 |
-1.2 |
0.379 |
0 |
0 |
0 |
0.000 |
49 |
|
D |
2 |
1 |
3218 |
x |
D |
-x,y-1/2,-z |
2_545 |
2 |
1 |
3218 |
19.7 |
-0.6 |
0.327 |
0 |
0 |
0 |
0.000 |
50 |
|
B |
4 |
2 |
3261 |
x |
B |
-x-1,y-1/2,-z-1 |
2_444 |
1 |
1 |
3261 |
18.6 |
-0.5 |
0.304 |
0 |
0 |
0 |
0.000 |
Average: |
22.1 |
-0.8 |
0.343 |
0 |
0 |
0 |
0.000 |
25 |
51 |
|
[F1R]A:103 |
5 |
1 |
573 |
◊ |
[CO]B:102 |
x,y,z |
1_555 |
1 |
1 |
125 |
24.9 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.121 |
52 |
|
[F1R]C:101 |
5 |
1 |
573 |
◊ |
[CO]A:101 |
x,y,z |
1_555 |
1 |
1 |
125 |
23.8 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.121 |
53 |
|
[F1R]B:103 |
5 |
1 |
575 |
◊ |
[CO]A:102 |
x,y,z |
1_555 |
1 |
1 |
125 |
23.1 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.121 |
54 |
|
[F1R]D:101 |
5 |
1 |
579 |
◊ |
[CO]B:101 |
x,y,z |
1_555 |
1 |
1 |
125 |
21.5 |
-1.9 |
0.000 |
0 |
0 |
0 |
0.121 |
Average: |
23.3 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.121 |
26 |
55 |
|
[BRU]D:1 |
1 |
1 |
424 |
◊ |
A |
x,y,z-1 |
1_554 |
3 |
1 |
3303 |
17.9 |
-1.6 |
0.199 |
0 |
0 |
0 |
0.000 |
27 |
56 |
|
D |
2 |
1 |
3218 |
◊ |
[BRU]A:1 |
x,y,z-1 |
1_554 |
2 |
1 |
448 |
16.9 |
-1.0 |
0.294 |
0 |
0 |
0 |
0.000 |
28 |
57 |
|
[BRU]B:1 |
1 |
1 |
454 |
◊ |
C |
x,y,z-1 |
1_554 |
3 |
1 |
3261 |
16.7 |
-1.2 |
0.258 |
0 |
0 |
0 |
0.000 |
29 |
58 |
|
B |
2 |
1 |
3261 |
◊ |
[BRU]C:1 |
x,y,z-1 |
1_554 |
1 |
1 |
433 |
1.0 |
-0.1 |
0.373 |
0 |
0 |
0 |
0.000 |
|