| ## |
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 |
304 |
71 |
21061 |
◊ |
A |
x,y,z |
1_555 |
299 |
67 |
20501 |
2818.3 |
-42.5 |
0.003 |
40 |
2 |
0 |
0.749 |
2 |
|
D |
296 |
68 |
20242 |
◊ |
B |
x,y,z |
1_555 |
299 |
70 |
20677 |
2792.0 |
-39.8 |
0.005 |
42 |
2 |
0 |
0.749 |
| Average: |
2805.1 |
-41.1 |
0.004 |
41 |
2 |
0 |
0.749 |
| 2 |
3 |
|
B |
80 |
21 |
20677 |
◊ |
A |
x,y,z |
1_555 |
78 |
21 |
20501 |
671.4 |
1.6 |
0.817 |
10 |
8 |
0 |
0.000 |
| 3 |
4 |
|
D |
78 |
22 |
20242 |
◊ |
A |
-x+1/2,-y,z-1/2 |
2_554 |
73 |
20 |
20501 |
665.9 |
0.0 |
0.634 |
5 |
4 |
0 |
0.000 |
| 4 |
5 |
|
[NDP]B:503 |
43 |
1 |
875 |
f |
B |
x,y,z |
1_555 |
68 |
25 |
20677 |
514.9 |
-4.5 |
0.314 |
14 |
0 |
0 |
0.267 |
6 |
|
[NDP]A:503 |
42 |
1 |
873 |
f |
A |
x,y,z |
1_555 |
73 |
27 |
20501 |
514.8 |
-3.5 |
0.416 |
14 |
0 |
0 |
0.267 |
7 |
|
[NDP]C:503 |
42 |
1 |
874 |
f |
C |
x,y,z |
1_555 |
70 |
27 |
21061 |
510.9 |
-3.3 |
0.418 |
14 |
0 |
0 |
0.267 |
8 |
|
[NDP]D:503 |
43 |
1 |
882 |
f |
D |
x,y,z |
1_555 |
68 |
26 |
20242 |
496.8 |
-4.2 |
0.362 |
17 |
0 |
0 |
0.267 |
| Average: |
509.3 |
-3.9 |
0.377 |
15 |
0 |
0 |
0.267 |
| 5 |
9 |
|
B |
62 |
19 |
20677 |
◊ |
C |
-x+1/2,-y,z-1/2 |
2_554 |
52 |
13 |
21061 |
469.3 |
-2.6 |
0.502 |
5 |
0 |
0 |
0.000 |
| 6 |
10 |
|
[7J2]C:501 |
31 |
1 |
633 |
◊ |
C |
x,y,z |
1_555 |
59 |
22 |
21061 |
456.2 |
3.4 |
0.274 |
3 |
0 |
0 |
0.000 |
11 |
|
[7J2]D:501 |
32 |
1 |
636 |
◊ |
D |
x,y,z |
1_555 |
56 |
22 |
20242 |
452.4 |
1.7 |
0.123 |
3 |
0 |
0 |
0.000 |
12 |
|
[7J2]A:502 |
31 |
1 |
632 |
◊ |
A |
x,y,z |
1_555 |
58 |
22 |
20501 |
446.0 |
1.9 |
0.158 |
4 |
0 |
0 |
0.000 |
13 |
|
[7J2]B:501 |
31 |
1 |
620 |
◊ |
B |
x,y,z |
1_555 |
59 |
23 |
20677 |
444.2 |
3.5 |
0.280 |
3 |
0 |
0 |
0.000 |
| Average: |
449.7 |
2.6 |
0.209 |
3 |
0 |
0 |
0.000 |
| 7 |
14 |
|
A |
53 |
15 |
20501 |
◊ |
B |
x-1/2,-y+1/2,-z |
4_455 |
45 |
14 |
20677 |
399.7 |
-1.7 |
0.526 |
2 |
4 |
0 |
0.000 |
| 8 |
15 |
|
D |
35 |
10 |
20242 |
◊ |
A |
x-1/2,-y+1/2,-z |
4_455 |
34 |
8 |
20501 |
313.4 |
-2.7 |
0.386 |
6 |
0 |
0 |
0.000 |
| 9 |
16 |
|
C |
30 |
7 |
21061 |
◊ |
D |
x-1/2,-y+1/2,-z |
4_455 |
32 |
9 |
20242 |
275.3 |
-2.8 |
0.271 |
3 |
0 |
0 |
0.000 |
| 10 |
17 |
|
D |
28 |
10 |
20242 |
◊ |
C |
x,y,z-1 |
1_554 |
36 |
13 |
21061 |
273.0 |
0.1 |
0.673 |
4 |
0 |
0 |
0.000 |
| 11 |
18 |
|
B |
31 |
11 |
20677 |
◊ |
C |
-x+3/2,-y,z-1/2 |
2_654 |
28 |
8 |
21061 |
250.8 |
-2.3 |
0.383 |
2 |
2 |
0 |
0.000 |
| 12 |
19 |
|
C |
26 |
6 |
21061 |
◊ |
B |
x-1/2,-y+1/2,-z |
4_455 |
19 |
6 |
20677 |
215.0 |
0.2 |
0.543 |
2 |
0 |
0 |
0.000 |
| 13 |
20 |
|
D |
25 |
7 |
20242 |
◊ |
C |
-x+3/2,-y,z-1/2 |
2_654 |
19 |
7 |
21061 |
213.6 |
0.7 |
0.707 |
3 |
0 |
0 |
0.000 |
| 14 |
21 |
|
A |
17 |
6 |
20501 |
◊ |
D |
x-1/2,-y+1/2,-z |
4_455 |
19 |
7 |
20242 |
151.4 |
-1.3 |
0.452 |
1 |
2 |
0 |
0.000 |
| 15 |
22 |
|
[FLC]C:502 |
12 |
1 |
313 |
f |
C |
x,y,z |
1_555 |
16 |
7 |
21061 |
132.3 |
1.3 |
0.560 |
5 |
0 |
0 |
0.011 |
| 16 |
23 |
|
[FLC]B:502 |
12 |
1 |
315 |
f |
B |
x,y,z |
1_555 |
19 |
8 |
20677 |
131.6 |
0.9 |
0.534 |
4 |
0 |
0 |
0.011 |
24 |
|
[FLC]A:501 |
11 |
1 |
318 |
f |
A |
x,y,z |
1_555 |
14 |
6 |
20501 |
119.5 |
1.5 |
0.609 |
4 |
0 |
0 |
0.011 |
| Average: |
125.5 |
1.2 |
0.572 |
4 |
0 |
0 |
0.011 |
| 17 |
25 |
|
D |
14 |
4 |
20242 |
◊ |
A |
-x+3/2,-y,z-1/2 |
2_654 |
16 |
5 |
20501 |
112.0 |
-0.7 |
0.449 |
2 |
0 |
0 |
0.000 |
| 18 |
26 |
|
B |
10 |
2 |
20677 |
◊ |
A |
-x+3/2,-y,z-1/2 |
2_654 |
13 |
5 |
20501 |
106.7 |
-0.1 |
0.624 |
2 |
2 |
0 |
0.000 |
| 19 |
27 |
|
[FLC]D:502 |
8 |
1 |
313 |
f |
D |
x,y,z |
1_555 |
13 |
5 |
20242 |
106.3 |
-0.3 |
0.353 |
3 |
0 |
0 |
0.020 |
| 20 |
28 |
|
[NDP]D:503 |
11 |
1 |
882 |
f |
[FLC]D:502 |
x,y,z |
1_555 |
8 |
1 |
313 |
82.7 |
-1.9 |
0.197 |
0 |
0 |
0 |
0.022 |
| 21 |
29 |
|
[NDP]B:503 |
11 |
1 |
875 |
f |
[FLC]B:502 |
x,y,z |
1_555 |
8 |
1 |
315 |
80.4 |
-1.7 |
0.214 |
0 |
0 |
0 |
0.024 |
30 |
|
[NDP]A:503 |
9 |
1 |
873 |
f |
[FLC]A:501 |
x,y,z |
1_555 |
7 |
1 |
318 |
73.1 |
-1.9 |
0.162 |
0 |
0 |
0 |
0.024 |
| Average: |
76.8 |
-1.8 |
0.188 |
0 |
0 |
0 |
0.024 |
| 22 |
31 |
|
[NDP]C:503 |
9 |
1 |
874 |
f |
[FLC]C:502 |
x,y,z |
1_555 |
7 |
1 |
313 |
74.8 |
-1.0 |
0.313 |
0 |
0 |
0 |
0.012 |
| 23 |
32 |
|
[7J2]D:501 |
6 |
1 |
636 |
f |
B |
x,y,z |
1_555 |
5 |
3 |
20677 |
44.3 |
0.2 |
0.279 |
0 |
0 |
0 |
0.000 |
33 |
|
[7J2]A:502 |
4 |
1 |
632 |
f |
C |
x,y,z |
1_555 |
5 |
3 |
21061 |
40.1 |
0.2 |
0.349 |
0 |
0 |
0 |
0.000 |
| Average: |
42.2 |
0.2 |
0.314 |
0 |
0 |
0 |
0.000 |
| 24 |
34 |
|
[NDP]B:503 |
1 |
1 |
875 |
◊ |
D |
x,y,z |
1_555 |
2 |
1 |
20242 |
19.7 |
0.8 |
0.803 |
1 |
0 |
0 |
0.000 |
35 |
|
[NDP]A:503 |
2 |
1 |
873 |
◊ |
C |
x,y,z |
1_555 |
2 |
1 |
21061 |
19.7 |
0.1 |
0.603 |
0 |
0 |
0 |
0.000 |
| Average: |
19.7 |
0.5 |
0.703 |
1 |
0 |
0 |
0.000 |
| 25 |
36 |
|
D |
6 |
3 |
20242 |
◊ |
B |
-x+3/2,-y,z-1/2 |
2_654 |
3 |
1 |
20677 |
19.0 |
0.6 |
0.768 |
0 |
0 |
0 |
0.000 |
| 26 |
37 |
|
[7J2]C:501 |
2 |
1 |
633 |
f |
A |
x,y,z |
1_555 |
2 |
1 |
20501 |
10.4 |
0.1 |
0.431 |
0 |
0 |
0 |
0.000 |
38 |
|
[7J2]B:501 |
2 |
1 |
620 |
f |
D |
x,y,z |
1_555 |
1 |
1 |
20242 |
8.7 |
0.1 |
0.343 |
0 |
0 |
0 |
0.000 |
| Average: |
9.6 |
0.1 |
0.387 |
0 |
0 |
0 |
0.000 |
| 27 |
39 |
|
[NDP]C:503 |
1 |
1 |
874 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
20501 |
6.7 |
0.3 |
0.754 |
0 |
0 |
0 |
0.000 |
40 |
|
[NDP]D:503 |
1 |
1 |
882 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
20677 |
3.0 |
0.2 |
0.700 |
0 |
0 |
0 |
0.000 |
| Average: |
4.9 |
0.2 |
0.727 |
0 |
0 |
0 |
0.000 |
| 28 |
41 |
|
D |
1 |
1 |
20242 |
◊ |
C |
x-1/2,-y+1/2,-z |
4_455 |
1 |
1 |
21061 |
5.6 |
-0.0 |
0.501 |
0 |
0 |
0 |
0.000 |
|