| ## |
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 |
178 |
49 |
15748 |
◊ |
B |
x,y,z |
1_555 |
181 |
48 |
15663 |
1690.6 |
-23.3 |
0.024 |
20 |
8 |
0 |
0.539 |
2 |
|
D |
178 |
48 |
15675 |
◊ |
A |
x,y,z |
1_555 |
178 |
48 |
15550 |
1677.6 |
-22.4 |
0.031 |
21 |
11 |
0 |
0.539 |
| Average: |
1684.1 |
-22.9 |
0.028 |
21 |
10 |
0 |
0.539 |
| 2 |
3 |
|
C |
125 |
35 |
15748 |
◊ |
A |
x,y,z |
1_555 |
122 |
35 |
15550 |
1103.3 |
-4.0 |
0.590 |
18 |
0 |
0 |
0.142 |
4 |
|
D |
128 |
36 |
15675 |
◊ |
B |
x,y,z |
1_555 |
124 |
34 |
15663 |
1097.3 |
-4.3 |
0.542 |
19 |
0 |
0 |
0.142 |
| Average: |
1100.3 |
-4.2 |
0.566 |
19 |
0 |
0 |
0.142 |
| 3 |
5 |
|
[NAD]A:400 |
44 |
1 |
855 |
f |
A |
x,y,z |
1_555 |
85 |
33 |
15550 |
609.3 |
-9.8 |
0.262 |
13 |
0 |
0 |
0.491 |
6 |
|
[NAD]B:400 |
43 |
1 |
857 |
f |
B |
x,y,z |
1_555 |
82 |
32 |
15663 |
606.0 |
-10.1 |
0.227 |
14 |
0 |
0 |
0.491 |
7 |
|
[NAD]C:400 |
44 |
1 |
861 |
f |
C |
x,y,z |
1_555 |
81 |
32 |
15748 |
579.9 |
-7.6 |
0.337 |
15 |
0 |
0 |
0.491 |
8 |
|
[NAD]D:400 |
43 |
1 |
855 |
f |
D |
x,y,z |
1_555 |
77 |
29 |
15675 |
576.7 |
-8.6 |
0.230 |
14 |
0 |
0 |
0.491 |
| Average: |
593.0 |
-9.0 |
0.264 |
14 |
0 |
0 |
0.491 |
| 4 |
9 |
|
B |
70 |
18 |
15663 |
◊ |
A |
x,y,z |
1_555 |
71 |
18 |
15550 |
606.5 |
-8.3 |
0.132 |
7 |
0 |
0 |
0.124 |
10 |
|
D |
74 |
19 |
15675 |
◊ |
C |
x,y,z |
1_555 |
74 |
18 |
15748 |
602.9 |
-7.6 |
0.161 |
6 |
0 |
0 |
0.124 |
| Average: |
604.7 |
-8.0 |
0.146 |
7 |
0 |
0 |
0.124 |
| 5 |
11 |
|
B |
56 |
18 |
15663 |
◊ |
D |
-x+1,y-1/2,-z+2 |
2_647 |
51 |
14 |
15675 |
471.8 |
-1.9 |
0.550 |
4 |
1 |
0 |
0.000 |
| 6 |
12 |
|
C |
31 |
8 |
15748 |
x |
C |
x-1,y,z |
1_455 |
27 |
9 |
15748 |
228.8 |
-0.9 |
0.546 |
3 |
2 |
0 |
0.000 |
13 |
|
A |
21 |
8 |
15550 |
x |
A |
x-1,y,z |
1_455 |
27 |
6 |
15550 |
195.2 |
-0.7 |
0.584 |
2 |
2 |
0 |
0.000 |
| Average: |
212.0 |
-0.8 |
0.565 |
3 |
2 |
0 |
0.000 |
| 7 |
14 |
|
A |
24 |
9 |
15550 |
◊ |
D |
x,y,z-1 |
1_554 |
15 |
4 |
15675 |
181.7 |
0.4 |
0.715 |
2 |
0 |
0 |
0.000 |
15 |
|
C |
13 |
4 |
15748 |
◊ |
B |
x,y,z-1 |
1_554 |
24 |
11 |
15663 |
172.2 |
1.0 |
0.781 |
3 |
0 |
0 |
0.000 |
| Average: |
177.0 |
0.7 |
0.748 |
3 |
0 |
0 |
0.000 |
| 8 |
16 |
|
A |
15 |
4 |
15550 |
◊ |
B |
x,y,z-1 |
1_554 |
15 |
4 |
15663 |
161.2 |
-1.0 |
0.467 |
2 |
0 |
0 |
0.000 |
| 9 |
17 |
|
B |
18 |
7 |
15663 |
◊ |
D |
-x,y-1/2,-z+2 |
2_547 |
18 |
8 |
15675 |
158.2 |
0.2 |
0.470 |
0 |
0 |
0 |
0.000 |
| 10 |
18 |
|
C |
12 |
5 |
15748 |
◊ |
A |
-x+1,y-1/2,-z+1 |
2_646 |
13 |
4 |
15550 |
123.4 |
0.1 |
0.673 |
2 |
0 |
0 |
0.000 |
| 11 |
19 |
|
[EDO]C:401 |
4 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
16 |
6 |
15748 |
98.6 |
3.7 |
0.533 |
2 |
0 |
0 |
0.000 |
| 12 |
20 |
|
[EDO]D:401 |
4 |
1 |
182 |
f |
D |
x,y,z |
1_555 |
16 |
5 |
15675 |
96.0 |
3.2 |
0.521 |
3 |
0 |
0 |
0.000 |
| 13 |
21 |
|
[EDO]D:402 |
4 |
1 |
183 |
f |
C |
x,y,z |
1_555 |
11 |
5 |
15748 |
80.5 |
1.7 |
0.226 |
0 |
0 |
0 |
0.000 |
| 14 |
22 |
|
[EDO]D:402 |
4 |
1 |
183 |
◊ |
D |
x,y,z |
1_555 |
11 |
5 |
15675 |
79.5 |
1.9 |
0.227 |
0 |
0 |
0 |
0.000 |
| 15 |
23 |
|
[CL]B:346 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
15 |
5 |
15663 |
66.5 |
-8.7 |
0.000 |
0 |
0 |
0 |
0.128 |
| 16 |
24 |
|
C |
4 |
3 |
15748 |
◊ |
A |
-x,y-1/2,-z+1 |
2_546 |
5 |
3 |
15550 |
36.3 |
0.6 |
0.600 |
0 |
0 |
0 |
0.000 |
| 17 |
25 |
|
D |
4 |
3 |
15675 |
x |
D |
x-1,y,z |
1_455 |
4 |
3 |
15675 |
30.4 |
0.0 |
0.502 |
0 |
0 |
0 |
0.000 |
| 18 |
26 |
|
B |
3 |
1 |
15663 |
◊ |
[NAD]D:400 |
-x,y-1/2,-z+2 |
2_547 |
4 |
1 |
855 |
27.0 |
0.7 |
0.775 |
0 |
0 |
0 |
0.000 |
| 19 |
27 |
|
B |
1 |
1 |
15663 |
◊ |
C |
x-1,y,z |
1_455 |
3 |
1 |
15748 |
23.0 |
1.1 |
0.880 |
0 |
0 |
0 |
0.000 |
28 |
|
A |
5 |
2 |
15550 |
◊ |
D |
x-1,y,z |
1_455 |
1 |
1 |
15675 |
15.5 |
0.6 |
0.765 |
0 |
0 |
0 |
0.000 |
| Average: |
19.3 |
0.8 |
0.822 |
0 |
0 |
0 |
0.000 |
| 20 |
29 |
|
C |
2 |
2 |
15748 |
◊ |
A |
x-1,y,z |
1_455 |
4 |
2 |
15550 |
6.8 |
0.1 |
0.680 |
0 |
0 |
0 |
0.000 |
| 21 |
30 |
|
C |
1 |
1 |
15748 |
◊ |
D |
-x,y-1/2,-z+2 |
2_547 |
1 |
1 |
15675 |
6.5 |
0.1 |
0.799 |
0 |
0 |
0 |
0.000 |
|