## |
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 |
69 |
19 |
4718 |
◊ |
B |
-x+1,y,-z+1 |
2_656 |
68 |
19 |
4718 |
621.2 |
-2.4 |
0.560 |
6 |
0 |
0 |
0.034 |
2 |
2 |
|
B |
30 |
11 |
4718 |
◊ |
C |
-x+3/2,y-1/2,-z+1 |
4_646 |
33 |
10 |
5023 |
355.3 |
-4.8 |
0.195 |
2 |
3 |
0 |
0.066 |
3 |
3 |
|
D |
39 |
13 |
5007 |
◊ |
A |
x,y,z |
1_555 |
33 |
8 |
5259 |
330.4 |
-0.8 |
0.595 |
2 |
2 |
0 |
0.047 |
4 |
|
C |
35 |
10 |
5023 |
◊ |
A |
x,y,z |
1_555 |
43 |
14 |
5259 |
328.2 |
-0.8 |
0.572 |
2 |
2 |
0 |
0.047 |
5 |
|
C |
42 |
13 |
5023 |
◊ |
B |
x,y,z |
1_555 |
34 |
8 |
4718 |
320.7 |
-1.5 |
0.527 |
3 |
2 |
0 |
0.047 |
Average: |
326.5 |
-1.0 |
0.565 |
2 |
2 |
0 |
0.047 |
4 |
6 |
|
C |
32 |
11 |
5023 |
◊ |
A |
-x+1,y,-z+1 |
2_656 |
33 |
11 |
5259 |
329.6 |
-4.1 |
0.198 |
4 |
0 |
0 |
0.086 |
7 |
|
D |
29 |
10 |
5007 |
◊ |
B |
-x+1,y,-z+1 |
2_656 |
32 |
10 |
4718 |
318.1 |
-4.1 |
0.257 |
7 |
0 |
0 |
0.086 |
Average: |
323.9 |
-4.1 |
0.227 |
6 |
0 |
0 |
0.086 |
5 |
8 |
|
D |
31 |
9 |
5007 |
◊ |
A |
-x+1/2,y-1/2,-z |
4_545 |
31 |
11 |
5259 |
280.7 |
-3.7 |
0.290 |
0 |
0 |
0 |
0.064 |
6 |
9 |
|
A |
17 |
5 |
5259 |
◊ |
A |
-x+1,y,-z+1 |
2_656 |
18 |
5 |
5259 |
188.1 |
0.5 |
0.673 |
2 |
0 |
0 |
0.007 |
10 |
|
D |
19 |
5 |
5007 |
◊ |
C |
-x+1,y,-z+1 |
2_656 |
16 |
4 |
5023 |
178.6 |
0.4 |
0.697 |
3 |
0 |
0 |
0.007 |
Average: |
183.4 |
0.5 |
0.685 |
3 |
0 |
0 |
0.007 |
7 |
11 |
|
[ACT]A:1174 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
10 |
4 |
5259 |
84.3 |
-0.2 |
0.641 |
2 |
0 |
0 |
0.019 |
8 |
12 |
|
[ACT]C:1174 |
4 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
10 |
4 |
5023 |
79.7 |
0.1 |
0.656 |
2 |
0 |
0 |
0.009 |
9 |
13 |
|
[ACT]D:1171 |
4 |
1 |
183 |
◊ |
D |
x,y,z |
1_555 |
8 |
4 |
5007 |
71.9 |
0.4 |
0.764 |
3 |
0 |
0 |
0.011 |
10 |
14 |
|
[ACT]A:1176 |
4 |
1 |
183 |
f |
C |
x,y,z |
1_555 |
11 |
4 |
5023 |
71.5 |
-0.5 |
0.628 |
0 |
0 |
0 |
0.005 |
11 |
15 |
|
[ACT]C:1173 |
4 |
1 |
183 |
f |
C |
x,y,z |
1_555 |
8 |
4 |
5023 |
69.6 |
0.5 |
0.759 |
3 |
0 |
0 |
0.016 |
16 |
|
[ACT]A:1173 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
8 |
4 |
5259 |
68.2 |
0.4 |
0.755 |
3 |
0 |
0 |
0.016 |
Average: |
68.9 |
0.5 |
0.757 |
3 |
0 |
0 |
0.016 |
12 |
17 |
|
[ACT]D:1171 |
3 |
1 |
183 |
f |
B |
-x+1,y,-z+1 |
2_656 |
7 |
4 |
4718 |
55.2 |
-1.4 |
0.414 |
0 |
0 |
0 |
0.018 |
13 |
18 |
|
[ACT]C:1173 |
3 |
1 |
183 |
◊ |
A |
-x+1,y,-z+1 |
2_656 |
7 |
4 |
5259 |
53.4 |
-1.3 |
0.408 |
0 |
0 |
0 |
0.011 |
19 |
|
[ACT]A:1173 |
3 |
1 |
183 |
◊ |
C |
-x+1,y,-z+1 |
2_656 |
8 |
4 |
5023 |
49.0 |
-1.2 |
0.412 |
0 |
0 |
0 |
0.011 |
Average: |
51.2 |
-1.3 |
0.410 |
0 |
0 |
0 |
0.011 |
14 |
20 |
|
[ACT]A:1176 |
4 |
1 |
183 |
◊ |
A |
x,y,z |
1_555 |
10 |
3 |
5259 |
52.6 |
0.8 |
0.836 |
3 |
0 |
0 |
0.003 |
15 |
21 |
|
[ZN]B:1172 |
1 |
1 |
98 |
f |
[ZN]B:1172 |
-x+1,y,-z+1 |
2_656 |
1 |
1 |
98 |
45.6 |
-36.5 |
0.000 |
0 |
0 |
0 |
0.241 |
16 |
22 |
|
[ZN]C:1172 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
9 |
4 |
4718 |
42.8 |
-20.1 |
0.000 |
0 |
0 |
0 |
0.373 |
23 |
|
[ZN]D:1172 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
9 |
4 |
5259 |
41.9 |
-19.8 |
0.000 |
0 |
0 |
0 |
0.373 |
24 |
|
[ZN]A:1172 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
9 |
4 |
5023 |
35.3 |
-14.5 |
0.000 |
0 |
0 |
0 |
0.373 |
Average: |
40.0 |
-18.1 |
0.000 |
0 |
0 |
0 |
0.373 |
17 |
25 |
|
[ZN]B:1173 |
1 |
1 |
98 |
cf |
C |
-x+3/2,y-1/2,-z+1 |
4_646 |
7 |
4 |
5023 |
41.5 |
-25.1 |
0.000 |
0 |
0 |
0 |
0.271 |
18 |
26 |
|
[ZN]D:1172 |
1 |
1 |
98 |
◊ |
D |
x,y,z |
1_555 |
9 |
4 |
5007 |
37.3 |
-18.0 |
0.000 |
0 |
0 |
0 |
0.327 |
27 |
|
[ZN]C:1172 |
1 |
1 |
98 |
◊ |
C |
x,y,z |
1_555 |
9 |
4 |
5023 |
37.1 |
-17.9 |
0.000 |
0 |
0 |
0 |
0.327 |
28 |
|
[ZN]A:1172 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
9 |
4 |
5259 |
29.2 |
-13.7 |
0.000 |
0 |
0 |
0 |
0.327 |
Average: |
34.5 |
-16.5 |
0.000 |
0 |
0 |
0 |
0.327 |
19 |
29 |
|
[ZN]A:1175 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
4 |
2 |
5259 |
35.5 |
-16.7 |
0.000 |
0 |
0 |
0 |
0.561 |
30 |
|
D |
4 |
2 |
5007 |
◊ |
[ZN]A:1175 |
-x+1/2,y-1/2,-z |
4_545 |
1 |
1 |
98 |
35.0 |
-16.0 |
0.000 |
0 |
0 |
0 |
0.561 |
31 |
|
[ZN]B:1173 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
4 |
2 |
4718 |
32.3 |
-13.8 |
0.000 |
0 |
0 |
0 |
0.561 |
Average: |
34.3 |
-15.5 |
0.000 |
0 |
0 |
0 |
0.561 |
20 |
32 |
|
[ZN]B:1172 |
1 |
1 |
98 |
x |
B |
x,y,z |
1_555 |
7 |
3 |
4718 |
34.2 |
-16.7 |
0.000 |
0 |
0 |
0 |
0.442 |
21 |
33 |
|
B |
3 |
1 |
4718 |
◊ |
D |
-x+1/2,y-1/2,-z |
4_545 |
2 |
1 |
5007 |
31.1 |
1.2 |
0.895 |
0 |
0 |
0 |
0.000 |
22 |
34 |
|
[ACT]C:1174 |
3 |
1 |
184 |
◊ |
A |
-x+1,y,-z+1 |
2_656 |
2 |
2 |
5259 |
27.4 |
-0.1 |
0.671 |
0 |
0 |
0 |
0.000 |
23 |
35 |
|
[ACT]C:1174 |
2 |
1 |
184 |
◊ |
[ACT]A:1174 |
-x+1,y,-z+1 |
2_656 |
2 |
1 |
184 |
25.5 |
0.4 |
0.685 |
0 |
0 |
0 |
0.000 |
24 |
36 |
|
[ACT]A:1176 |
3 |
1 |
183 |
f |
[ZN]A:1172 |
x,y,z |
1_555 |
1 |
1 |
98 |
24.7 |
-9.7 |
0.000 |
0 |
0 |
0 |
0.104 |
25 |
37 |
|
[ACT]A:1174 |
3 |
1 |
184 |
◊ |
C |
-x+1,y,-z+1 |
2_656 |
2 |
2 |
5023 |
23.9 |
0.2 |
0.715 |
0 |
0 |
0 |
0.000 |
26 |
38 |
|
[ACT]C:1174 |
1 |
1 |
184 |
◊ |
[ACT]A:1173 |
-x+1,y,-z+1 |
2_656 |
2 |
1 |
183 |
21.7 |
-0.2 |
0.612 |
0 |
0 |
0 |
0.001 |
27 |
39 |
|
[ACT]C:1173 |
2 |
1 |
183 |
◊ |
[ACT]A:1174 |
-x+1,y,-z+1 |
2_656 |
2 |
1 |
184 |
21.4 |
-0.3 |
0.612 |
0 |
0 |
0 |
0.001 |
28 |
40 |
|
[ACT]A:1176 |
1 |
1 |
183 |
◊ |
[ACT]A:1173 |
-x+1,y,-z+1 |
2_656 |
1 |
1 |
183 |
12.7 |
-0.4 |
0.500 |
0 |
0 |
0 |
0.002 |
29 |
41 |
|
[ACT]C:1174 |
1 |
1 |
184 |
f |
[ACT]C:1173 |
x,y,z |
1_555 |
1 |
1 |
183 |
6.8 |
0.2 |
0.500 |
0 |
0 |
0 |
0.000 |
30 |
42 |
|
[ACT]A:1176 |
1 |
1 |
183 |
◊ |
A |
-x+1,y,-z+1 |
2_656 |
1 |
1 |
5259 |
3.0 |
-0.1 |
0.466 |
0 |
0 |
0 |
0.000 |
31 |
43 |
|
[ACT]A:1174 |
1 |
1 |
184 |
f |
[ACT]A:1173 |
x,y,z |
1_555 |
1 |
1 |
183 |
1.0 |
0.0 |
0.500 |
0 |
0 |
0 |
0.000 |
32 |
44 |
|
[ACT]A:1173 |
1 |
1 |
183 |
◊ |
A |
-x+1,y,-z+1 |
2_656 |
1 |
1 |
5259 |
0.2 |
0.0 |
0.558 |
0 |
0 |
0 |
0.000 |
|