## |
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 |
42 |
11 |
5507 |
◊ |
A |
x,y,z |
1_555 |
35 |
11 |
5503 |
326.1 |
2.8 |
0.833 |
8 |
2 |
0 |
0.002 |
2 |
|
C |
34 |
11 |
5463 |
◊ |
A |
x,y,z |
1_555 |
36 |
11 |
5503 |
316.2 |
3.7 |
0.880 |
7 |
2 |
0 |
0.002 |
3 |
|
C |
34 |
11 |
5463 |
◊ |
B |
x,y,z |
1_555 |
34 |
11 |
5507 |
309.4 |
3.5 |
0.889 |
8 |
2 |
0 |
0.002 |
Average: |
317.2 |
3.3 |
0.868 |
8 |
2 |
0 |
0.002 |
2 |
4 |
|
C |
38 |
13 |
5463 |
◊ |
C |
-y,-x,-z-1/2 |
8_554 |
37 |
13 |
5463 |
308.4 |
-2.6 |
0.398 |
0 |
0 |
0 |
0.000 |
3 |
5 |
|
B |
28 |
11 |
5507 |
◊ |
A |
-y,-x,-z-1/2 |
8_554 |
29 |
9 |
5503 |
233.3 |
0.1 |
0.623 |
3 |
0 |
0 |
0.000 |
4 |
6 |
|
B |
26 |
7 |
5507 |
◊ |
A |
-y+1/2,x+1/2,z-1/4 |
3_554 |
31 |
10 |
5503 |
226.4 |
-2.2 |
0.374 |
1 |
0 |
0 |
0.000 |
5 |
7 |
|
B |
29 |
10 |
5507 |
◊ |
A |
y,x,-z |
7_555 |
21 |
6 |
5503 |
209.3 |
-0.2 |
0.607 |
2 |
0 |
0 |
0.000 |
6 |
8 |
|
A |
20 |
5 |
5503 |
◊ |
C |
-x-1/2,y-1/2,-z-1/4 |
5_444 |
24 |
8 |
5463 |
194.0 |
-2.0 |
0.349 |
2 |
3 |
0 |
0.009 |
7 |
9 |
|
C |
21 |
7 |
5463 |
x |
C |
-y+1/2,x+1/2,z-1/4 |
3_554 |
20 |
6 |
5463 |
176.2 |
-0.4 |
0.584 |
0 |
0 |
0 |
0.000 |
8 |
10 |
|
C |
18 |
5 |
5463 |
◊ |
A |
-y+1/2,x+1/2,z-1/4 |
3_554 |
16 |
5 |
5503 |
152.3 |
-2.9 |
0.188 |
1 |
0 |
0 |
0.000 |
11 |
|
B |
17 |
4 |
5507 |
◊ |
B |
y,x,-z |
7_555 |
17 |
4 |
5507 |
137.4 |
-3.9 |
0.095 |
0 |
0 |
0 |
0.000 |
Average: |
144.9 |
-3.4 |
0.142 |
1 |
0 |
0 |
0.000 |
9 |
12 |
|
[K]C:502 |
1 |
1 |
216 |
f |
C |
x,y,z |
1_555 |
15 |
7 |
5463 |
119.3 |
-99.0 |
0.000 |
0 |
0 |
0 |
0.298 |
13 |
|
[K]B:502 |
1 |
1 |
216 |
f |
B |
x,y,z |
1_555 |
12 |
5 |
5507 |
117.4 |
-97.7 |
0.000 |
0 |
0 |
0 |
0.298 |
Average: |
118.4 |
-98.3 |
0.000 |
0 |
0 |
0 |
0.298 |
10 |
14 |
|
[K]A:501 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
13 |
6 |
5503 |
114.3 |
-98.9 |
0.000 |
0 |
0 |
0 |
0.491 |
15 |
|
[K]C:501 |
1 |
1 |
216 |
f |
C |
x,y,z |
1_555 |
13 |
5 |
5463 |
105.2 |
-89.9 |
0.000 |
0 |
0 |
0 |
0.491 |
Average: |
109.7 |
-94.4 |
0.000 |
0 |
0 |
0 |
0.491 |
11 |
16 |
|
[K]A:502 |
1 |
1 |
216 |
f |
B |
x,y,z |
1_555 |
13 |
4 |
5507 |
88.8 |
-58.3 |
0.000 |
0 |
0 |
0 |
0.088 |
12 |
17 |
|
[K]A:502 |
1 |
1 |
216 |
◊ |
A |
x,y,z |
1_555 |
9 |
4 |
5503 |
82.9 |
-50.5 |
0.000 |
0 |
0 |
0 |
0.077 |
13 |
18 |
|
[ACT]A:601 |
4 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
11 |
4 |
5463 |
71.7 |
0.7 |
0.785 |
1 |
0 |
0 |
0.000 |
14 |
19 |
|
[ACT]A:601 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
12 |
6 |
5503 |
69.1 |
-0.1 |
0.658 |
0 |
0 |
0 |
0.000 |
15 |
20 |
|
[ZN]A:107 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
7 |
3 |
5503 |
40.3 |
-21.4 |
0.000 |
0 |
0 |
0 |
0.104 |
21 |
|
[ZN]B:107 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
5 |
2 |
5507 |
35.0 |
-18.4 |
0.000 |
0 |
0 |
0 |
0.104 |
22 |
|
[ZN]C:107 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
8 |
3 |
5463 |
34.5 |
-18.5 |
0.000 |
0 |
0 |
0 |
0.104 |
Average: |
36.6 |
-19.4 |
0.000 |
0 |
0 |
0 |
0.104 |
16 |
23 |
|
[ZN]B:107 |
1 |
1 |
98 |
◊ |
C |
x,y,z |
1_555 |
8 |
5 |
5463 |
39.7 |
-20.0 |
0.000 |
0 |
0 |
0 |
0.078 |
24 |
|
[ZN]A:107 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
8 |
5 |
5507 |
34.4 |
-16.9 |
0.000 |
0 |
0 |
0 |
0.078 |
25 |
|
[ZN]C:107 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
9 |
5 |
5503 |
30.6 |
-14.7 |
0.000 |
0 |
0 |
0 |
0.078 |
Average: |
34.9 |
-17.2 |
0.000 |
0 |
0 |
0 |
0.078 |
17 |
26 |
|
[ZN]C:108 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
5 |
3 |
5463 |
38.9 |
-21.8 |
0.000 |
0 |
0 |
0 |
0.057 |
18 |
27 |
|
A |
6 |
2 |
5503 |
◊ |
[ZN]C:108 |
-x-1/2,y-1/2,-z-1/4 |
5_444 |
1 |
1 |
98 |
35.2 |
-17.6 |
0.000 |
0 |
0 |
0 |
0.046 |
19 |
28 |
|
[K]C:501 |
1 |
1 |
216 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
5503 |
19.8 |
-9.0 |
0.000 |
0 |
0 |
0 |
0.028 |
29 |
|
[K]A:501 |
1 |
1 |
216 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
5507 |
18.9 |
-9.5 |
0.000 |
0 |
0 |
0 |
0.028 |
Average: |
19.3 |
-9.2 |
0.000 |
0 |
0 |
0 |
0.028 |
20 |
30 |
|
[ACT]A:601 |
2 |
1 |
184 |
f |
[K]C:501 |
x,y,z |
1_555 |
1 |
1 |
216 |
18.7 |
-9.1 |
0.000 |
0 |
0 |
0 |
0.024 |
21 |
31 |
|
[K]B:502 |
1 |
1 |
216 |
◊ |
A |
-y+1/2,x+1/2,z-1/4 |
3_554 |
1 |
1 |
5503 |
14.6 |
-6.3 |
0.000 |
0 |
0 |
0 |
0.002 |
22 |
32 |
|
B |
3 |
2 |
5507 |
◊ |
B |
-y,-x,-z-1/2 |
8_554 |
3 |
2 |
5507 |
12.8 |
0.5 |
0.782 |
0 |
0 |
0 |
0.000 |
23 |
33 |
|
[ACT]A:601 |
1 |
1 |
184 |
f |
[ZN]C:107 |
x,y,z |
1_555 |
1 |
1 |
98 |
12.6 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.014 |
24 |
34 |
|
C |
2 |
1 |
5463 |
◊ |
B |
x-1/2,-y+1/2,-z-3/4 |
6_454 |
3 |
1 |
5507 |
6.8 |
0.1 |
0.647 |
0 |
0 |
0 |
0.000 |
25 |
35 |
|
C |
1 |
1 |
5463 |
◊ |
[K]C:502 |
-y+1/2,x+1/2,z-1/4 |
3_554 |
1 |
1 |
216 |
5.3 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.000 |
26 |
36 |
|
B |
1 |
1 |
5507 |
◊ |
C |
-y+1/2,x+1/2,z-1/4 |
3_554 |
1 |
1 |
5463 |
2.5 |
0.1 |
0.718 |
0 |
0 |
0 |
0.000 |
|