## |
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 |
|
B |
234 |
66 |
16633 |
◊ |
A |
x,y,z |
1_555 |
253 |
72 |
16251 |
2395.2 |
-19.9 |
0.308 |
33 |
10 |
0 |
0.227 |
2 |
|
D |
240 |
68 |
16569 |
◊ |
C |
x,y,z |
1_555 |
248 |
71 |
16388 |
2361.9 |
-19.6 |
0.310 |
34 |
9 |
0 |
0.227 |
Average: |
2378.6 |
-19.7 |
0.309 |
34 |
10 |
0 |
0.227 |
2 |
3 |
|
B |
54 |
20 |
16633 |
◊ |
D |
-x,y-1/2,-z |
2_545 |
68 |
20 |
16569 |
551.5 |
-5.9 |
0.316 |
5 |
1 |
0 |
0.000 |
3 |
4 |
|
D |
48 |
13 |
16569 |
◊ |
B |
x-1,y,z+1 |
1_456 |
48 |
14 |
16633 |
438.7 |
-4.5 |
0.361 |
4 |
3 |
0 |
0.000 |
5 |
|
B |
49 |
13 |
16633 |
◊ |
D |
x,y,z-1 |
1_554 |
46 |
13 |
16569 |
407.3 |
-3.7 |
0.422 |
4 |
4 |
0 |
0.000 |
Average: |
423.0 |
-4.1 |
0.391 |
4 |
4 |
0 |
0.000 |
4 |
6 |
|
C |
51 |
14 |
16388 |
◊ |
A |
x,y,z |
1_555 |
46 |
17 |
16251 |
428.9 |
-1.4 |
0.634 |
2 |
2 |
0 |
0.000 |
7 |
|
C |
43 |
16 |
16388 |
◊ |
A |
x-1,y,z |
1_455 |
46 |
14 |
16251 |
375.4 |
-3.6 |
0.402 |
1 |
0 |
0 |
0.000 |
Average: |
402.2 |
-2.5 |
0.518 |
2 |
1 |
0 |
0.000 |
5 |
8 |
|
[URP]C:503 |
9 |
1 |
281 |
f |
C |
x,y,z |
1_555 |
30 |
16 |
16388 |
133.7 |
-1.2 |
0.368 |
10 |
0 |
0 |
0.037 |
9 |
|
[URP]A:503 |
9 |
1 |
276 |
f |
A |
x,y,z |
1_555 |
30 |
15 |
16251 |
132.8 |
-1.4 |
0.355 |
10 |
0 |
0 |
0.037 |
Average: |
133.2 |
-1.3 |
0.361 |
10 |
0 |
0 |
0.037 |
6 |
10 |
|
D |
15 |
4 |
16569 |
◊ |
A |
x,y,z |
1_555 |
14 |
5 |
16251 |
128.3 |
-0.8 |
0.480 |
1 |
0 |
0 |
0.000 |
11 |
|
C |
5 |
4 |
16388 |
◊ |
B |
x-1,y,z |
1_455 |
7 |
2 |
16633 |
45.8 |
-1.1 |
0.276 |
0 |
0 |
0 |
0.000 |
Average: |
87.1 |
-1.0 |
0.378 |
1 |
0 |
0 |
0.000 |
7 |
12 |
|
[EDO]B:502 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
18 |
5 |
16633 |
99.9 |
2.9 |
0.513 |
3 |
0 |
0 |
0.000 |
8 |
13 |
|
[EDO]D:502 |
4 |
1 |
185 |
◊ |
D |
x,y,z |
1_555 |
18 |
5 |
16569 |
97.0 |
2.5 |
0.470 |
2 |
0 |
0 |
0.000 |
9 |
14 |
|
[URP]C:503 |
8 |
1 |
281 |
◊ |
D |
x,y,z |
1_555 |
5 |
2 |
16569 |
53.8 |
-0.7 |
0.517 |
2 |
0 |
0 |
0.010 |
15 |
|
[URP]A:503 |
7 |
1 |
276 |
◊ |
B |
x,y,z |
1_555 |
5 |
2 |
16633 |
51.8 |
-0.5 |
0.541 |
2 |
0 |
0 |
0.010 |
Average: |
52.8 |
-0.6 |
0.529 |
2 |
0 |
0 |
0.010 |
10 |
16 |
|
[ZN]D:501 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
12 |
7 |
16569 |
52.8 |
-38.8 |
0.000 |
0 |
0 |
0 |
0.252 |
17 |
|
[ZN]B:501 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
10 |
7 |
16633 |
52.4 |
-40.1 |
0.000 |
0 |
0 |
0 |
0.252 |
Average: |
52.6 |
-39.5 |
0.000 |
0 |
0 |
0 |
0.252 |
11 |
18 |
|
C |
5 |
2 |
16388 |
◊ |
D |
-x-1,y-1/2,-z+1 |
2_446 |
4 |
3 |
16569 |
51.7 |
0.6 |
0.805 |
1 |
0 |
0 |
0.000 |
12 |
19 |
|
C |
10 |
3 |
16388 |
◊ |
B |
-x,y-1/2,-z |
2_545 |
3 |
1 |
16633 |
48.6 |
1.0 |
0.681 |
0 |
0 |
0 |
0.000 |
13 |
20 |
|
C |
4 |
2 |
16388 |
◊ |
A |
-x,y-1/2,-z |
2_545 |
5 |
2 |
16251 |
44.1 |
-0.2 |
0.540 |
0 |
1 |
0 |
0.000 |
14 |
21 |
|
[EDO]B:502 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
3 |
3 |
16251 |
39.0 |
1.2 |
0.571 |
0 |
0 |
0 |
0.000 |
15 |
22 |
|
[ZN]A:501 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
13 |
8 |
16251 |
35.7 |
-26.2 |
0.000 |
0 |
0 |
0 |
0.166 |
23 |
|
[ZN]C:501 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
12 |
8 |
16388 |
35.6 |
-26.3 |
0.000 |
0 |
0 |
0 |
0.166 |
Average: |
35.6 |
-26.3 |
0.000 |
0 |
0 |
0 |
0.166 |
16 |
24 |
|
[ZN]A:502 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
10 |
6 |
16251 |
30.0 |
-20.5 |
0.000 |
0 |
0 |
0 |
0.130 |
25 |
|
[ZN]C:502 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
8 |
6 |
16388 |
29.5 |
-20.6 |
0.000 |
0 |
0 |
0 |
0.130 |
Average: |
29.7 |
-20.6 |
0.000 |
0 |
0 |
0 |
0.130 |
17 |
26 |
|
[EDO]D:502 |
4 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
1 |
1 |
16388 |
29.1 |
0.6 |
0.218 |
0 |
0 |
0 |
0.000 |
18 |
27 |
|
[URP]A:503 |
2 |
1 |
276 |
f |
[ZN]A:501 |
x,y,z |
1_555 |
1 |
1 |
98 |
23.7 |
-10.1 |
0.000 |
0 |
0 |
0 |
0.064 |
28 |
|
[URP]C:503 |
4 |
1 |
281 |
f |
[ZN]C:501 |
x,y,z |
1_555 |
1 |
1 |
98 |
23.1 |
-10.2 |
0.000 |
0 |
0 |
0 |
0.064 |
Average: |
23.4 |
-10.2 |
0.000 |
0 |
0 |
0 |
0.064 |
19 |
29 |
|
[URP]C:503 |
4 |
1 |
281 |
f |
[ZN]C:502 |
x,y,z |
1_555 |
1 |
1 |
98 |
22.9 |
-10.3 |
0.000 |
0 |
0 |
0 |
0.065 |
30 |
|
[URP]A:503 |
4 |
1 |
276 |
f |
[ZN]A:502 |
x,y,z |
1_555 |
1 |
1 |
98 |
22.1 |
-10.0 |
0.000 |
0 |
0 |
0 |
0.065 |
Average: |
22.5 |
-10.1 |
0.000 |
0 |
0 |
0 |
0.065 |
20 |
31 |
|
A |
1 |
1 |
16251 |
x |
A |
-x,y-1/2,-z |
2_545 |
3 |
1 |
16251 |
14.7 |
0.7 |
0.867 |
0 |
0 |
0 |
0.000 |
21 |
32 |
|
[ZN]A:502 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
3 |
2 |
16633 |
13.4 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.031 |
33 |
|
[ZN]C:502 |
1 |
1 |
98 |
◊ |
D |
x,y,z |
1_555 |
3 |
2 |
16569 |
12.8 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.031 |
Average: |
13.1 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.031 |
22 |
34 |
|
[ZN]A:502 |
1 |
1 |
98 |
f |
[ZN]A:501 |
x,y,z |
1_555 |
1 |
1 |
98 |
8.7 |
-7.0 |
0.000 |
0 |
0 |
0 |
0.044 |
23 |
35 |
|
[ZN]C:502 |
1 |
1 |
98 |
f |
[ZN]C:501 |
x,y,z |
1_555 |
1 |
1 |
98 |
7.9 |
-6.3 |
0.000 |
0 |
0 |
0 |
0.040 |
|