## |
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 |
|
D |
96 |
31 |
13211 |
◊ |
C |
x,y,z |
1_555 |
106 |
33 |
12914 |
957.4 |
-6.2 |
0.303 |
10 |
4 |
0 |
0.011 |
2 |
|
B |
103 |
32 |
13017 |
◊ |
A |
x,y,z |
1_555 |
102 |
32 |
13044 |
935.0 |
-6.6 |
0.307 |
11 |
3 |
0 |
0.011 |
3 |
|
F |
98 |
31 |
12973 |
◊ |
E |
x,y,z |
1_555 |
100 |
32 |
12972 |
929.0 |
-5.0 |
0.390 |
11 |
3 |
0 |
0.011 |
Average: |
940.5 |
-5.9 |
0.334 |
11 |
3 |
0 |
0.011 |
2 |
4 |
|
D |
49 |
15 |
13211 |
x |
D |
x,y,z-1 |
1_554 |
41 |
15 |
13211 |
360.9 |
-3.3 |
0.360 |
2 |
0 |
0 |
0.000 |
5 |
|
C |
36 |
13 |
12914 |
x |
C |
x,y,z-1 |
1_554 |
34 |
12 |
12914 |
292.6 |
-2.6 |
0.312 |
1 |
0 |
0 |
0.000 |
6 |
|
B |
31 |
13 |
13017 |
x |
B |
x,y,z-1 |
1_554 |
34 |
12 |
13017 |
292.4 |
-2.0 |
0.379 |
1 |
0 |
0 |
0.000 |
7 |
|
F |
31 |
11 |
12973 |
x |
F |
x,y,z-1 |
1_554 |
33 |
12 |
12973 |
271.9 |
-2.2 |
0.427 |
0 |
0 |
0 |
0.000 |
8 |
|
E |
34 |
16 |
12972 |
x |
E |
x,y,z-1 |
1_554 |
31 |
12 |
12972 |
270.5 |
-1.8 |
0.382 |
2 |
0 |
0 |
0.000 |
9 |
|
A |
30 |
13 |
13044 |
x |
A |
x,y,z-1 |
1_554 |
32 |
13 |
13044 |
248.7 |
-1.6 |
0.395 |
2 |
0 |
0 |
0.000 |
Average: |
289.5 |
-2.2 |
0.376 |
1 |
0 |
0 |
0.000 |
3 |
10 |
|
C |
24 |
8 |
12914 |
◊ |
A |
x,y,z |
1_555 |
34 |
12 |
13044 |
296.9 |
-0.4 |
0.571 |
5 |
5 |
0 |
0.000 |
11 |
|
E |
29 |
11 |
12972 |
◊ |
D |
x,y,z |
1_555 |
24 |
8 |
13211 |
282.8 |
-0.6 |
0.541 |
5 |
5 |
0 |
0.000 |
Average: |
289.9 |
-0.5 |
0.556 |
5 |
5 |
0 |
0.000 |
4 |
12 |
|
B |
31 |
11 |
13017 |
◊ |
E |
-x,y-1/2,-z+1 |
2_546 |
30 |
10 |
12972 |
293.6 |
-0.2 |
0.350 |
4 |
2 |
0 |
0.000 |
13 |
|
A |
29 |
10 |
13044 |
◊ |
F |
-x+1,y-1/2,-z+1 |
2_646 |
34 |
12 |
12973 |
275.5 |
0.6 |
0.493 |
5 |
4 |
0 |
0.000 |
Average: |
284.6 |
0.2 |
0.421 |
5 |
3 |
0 |
0.000 |
5 |
14 |
|
C |
24 |
8 |
12914 |
◊ |
F |
-x+1,y-1/2,-z+1 |
2_646 |
31 |
11 |
12973 |
285.4 |
-4.5 |
0.140 |
2 |
3 |
0 |
0.000 |
15 |
|
B |
31 |
11 |
13017 |
◊ |
D |
-x,y-1/2,-z+1 |
2_546 |
25 |
8 |
13211 |
273.9 |
-4.1 |
0.168 |
2 |
3 |
0 |
0.000 |
Average: |
279.6 |
-4.3 |
0.154 |
2 |
3 |
0 |
0.000 |
6 |
16 |
|
[9C3]C:1001 |
21 |
1 |
504 |
◊ |
C |
x,y,z |
1_555 |
35 |
13 |
12914 |
223.5 |
0.8 |
0.335 |
0 |
0 |
0 |
0.000 |
17 |
|
[9C3]E:1001 |
21 |
1 |
499 |
◊ |
F |
x,y,z |
1_555 |
34 |
12 |
12973 |
219.6 |
0.9 |
0.359 |
0 |
0 |
0 |
0.000 |
18 |
|
[9C3]B:1001 |
22 |
1 |
499 |
◊ |
B |
x,y,z |
1_555 |
34 |
12 |
13017 |
219.4 |
1.0 |
0.343 |
0 |
0 |
0 |
0.000 |
Average: |
220.8 |
0.9 |
0.346 |
0 |
0 |
0 |
0.000 |
7 |
19 |
|
[9C3]E:1001 |
22 |
1 |
499 |
f |
E |
x,y,z |
1_555 |
34 |
12 |
12972 |
220.7 |
0.1 |
0.271 |
1 |
0 |
0 |
0.003 |
20 |
|
[9C3]B:1001 |
22 |
1 |
499 |
f |
A |
x,y,z |
1_555 |
34 |
12 |
13044 |
219.9 |
0.1 |
0.271 |
1 |
0 |
0 |
0.003 |
21 |
|
[9C3]C:1001 |
22 |
1 |
504 |
f |
D |
x,y,z |
1_555 |
35 |
12 |
13211 |
219.3 |
0.2 |
0.284 |
1 |
0 |
0 |
0.003 |
Average: |
220.0 |
0.1 |
0.275 |
1 |
0 |
0 |
0.003 |
8 |
22 |
|
B |
15 |
6 |
13017 |
◊ |
E |
x,y-1,z |
1_545 |
24 |
9 |
12972 |
212.2 |
-3.3 |
0.046 |
1 |
0 |
0 |
0.000 |
23 |
|
A |
25 |
9 |
13044 |
◊ |
F |
x,y-1,z |
1_545 |
13 |
5 |
12973 |
196.5 |
-3.7 |
0.040 |
1 |
0 |
0 |
0.000 |
Average: |
204.3 |
-3.5 |
0.043 |
1 |
0 |
0 |
0.000 |
9 |
24 |
|
A |
10 |
3 |
13044 |
◊ |
C |
-x+1,y-1/2,-z+1 |
2_646 |
13 |
5 |
12914 |
104.6 |
0.8 |
0.715 |
2 |
3 |
0 |
0.000 |
25 |
|
D |
13 |
5 |
13211 |
◊ |
E |
-x,y-1/2,-z+1 |
2_546 |
10 |
3 |
12972 |
103.9 |
0.9 |
0.728 |
2 |
3 |
0 |
0.000 |
Average: |
104.3 |
0.8 |
0.721 |
2 |
3 |
0 |
0.000 |
10 |
26 |
|
[ACT]C:1004 |
4 |
1 |
182 |
f |
C |
x,y,z |
1_555 |
15 |
8 |
12914 |
98.5 |
-0.5 |
0.624 |
2 |
0 |
0 |
0.004 |
27 |
|
[ACT]D:905 |
4 |
1 |
182 |
f |
D |
x,y,z |
1_555 |
15 |
7 |
13211 |
97.0 |
-0.8 |
0.557 |
2 |
0 |
0 |
0.004 |
Average: |
97.8 |
-0.6 |
0.591 |
2 |
0 |
0 |
0.004 |
11 |
28 |
|
[ACT]C:1005 |
4 |
1 |
182 |
◊ |
C |
x,y,z |
1_555 |
7 |
3 |
12914 |
85.8 |
-0.4 |
0.671 |
1 |
0 |
0 |
0.001 |
29 |
|
[ACT]D:907 |
4 |
1 |
182 |
◊ |
D |
x,y,z |
1_555 |
8 |
3 |
13211 |
83.1 |
0.1 |
0.683 |
1 |
0 |
0 |
0.001 |
Average: |
84.5 |
-0.1 |
0.677 |
1 |
0 |
0 |
0.001 |
12 |
30 |
|
[ACT]D:907 |
4 |
1 |
182 |
f |
C |
x,y,z |
1_555 |
10 |
4 |
12914 |
78.5 |
-0.5 |
0.579 |
0 |
0 |
0 |
0.002 |
31 |
|
[ACT]C:1005 |
4 |
1 |
182 |
f |
D |
x,y,z |
1_555 |
7 |
3 |
13211 |
59.1 |
-0.9 |
0.377 |
0 |
0 |
0 |
0.002 |
Average: |
68.8 |
-0.7 |
0.478 |
0 |
0 |
0 |
0.002 |
13 |
32 |
|
C |
8 |
3 |
12914 |
◊ |
B |
x,y,z |
1_555 |
7 |
2 |
13017 |
74.0 |
-0.1 |
0.595 |
0 |
0 |
0 |
0.000 |
33 |
|
F |
8 |
2 |
12973 |
◊ |
D |
x,y,z |
1_555 |
6 |
2 |
13211 |
69.1 |
-0.3 |
0.534 |
0 |
0 |
0 |
0.000 |
Average: |
71.6 |
-0.2 |
0.564 |
0 |
0 |
0 |
0.000 |
14 |
34 |
|
A |
13 |
5 |
13044 |
f |
[ACT]F:906 |
-x+1,y-1/2,-z+1 |
2_646 |
4 |
1 |
182 |
72.5 |
-0.5 |
0.662 |
0 |
0 |
0 |
0.003 |
15 |
35 |
|
B |
11 |
3 |
13017 |
f |
[ACT]D:906 |
-x,y-1/2,-z+1 |
2_546 |
4 |
1 |
182 |
64.9 |
-0.2 |
0.657 |
0 |
0 |
0 |
0.000 |
16 |
36 |
|
[ACT]F:905 |
4 |
1 |
182 |
f |
F |
x,y,z |
1_555 |
11 |
3 |
12973 |
61.7 |
-0.4 |
0.619 |
0 |
0 |
0 |
0.003 |
17 |
37 |
|
[ACT]F:906 |
4 |
1 |
182 |
◊ |
F |
x,y,z |
1_555 |
7 |
3 |
12973 |
58.8 |
-0.2 |
0.595 |
0 |
0 |
0 |
0.000 |
18 |
38 |
|
[ACT]D:906 |
4 |
1 |
182 |
◊ |
D |
x,y,z |
1_555 |
8 |
3 |
13211 |
54.3 |
0.5 |
0.724 |
1 |
0 |
0 |
0.000 |
19 |
39 |
|
[ZN]B:1003 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
9 |
5 |
13017 |
52.3 |
-35.5 |
0.000 |
0 |
0 |
0 |
0.000 |
40 |
|
[ZN]F:902 |
1 |
1 |
98 |
◊ |
F |
x,y,z |
1_555 |
10 |
6 |
12973 |
51.3 |
-32.4 |
0.000 |
0 |
0 |
0 |
0.000 |
41 |
|
[ZN]D:903 |
1 |
1 |
98 |
◊ |
D |
x,y,z |
1_555 |
12 |
6 |
13211 |
44.0 |
-26.0 |
0.000 |
0 |
0 |
0 |
0.000 |
42 |
|
[ZN]C:1003 |
1 |
1 |
98 |
◊ |
C |
x,y,z |
1_555 |
12 |
6 |
12914 |
43.6 |
-26.0 |
0.000 |
0 |
0 |
0 |
0.000 |
43 |
|
[ZN]A:902 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
8 |
5 |
13044 |
39.2 |
-22.8 |
0.000 |
0 |
0 |
0 |
0.000 |
44 |
|
[ZN]E:1003 |
1 |
1 |
98 |
◊ |
E |
x,y,z |
1_555 |
7 |
4 |
12972 |
38.9 |
-22.7 |
0.000 |
0 |
0 |
0 |
0.000 |
Average: |
44.9 |
-27.5 |
0.000 |
0 |
0 |
0 |
0.000 |
20 |
45 |
|
C |
6 |
3 |
12914 |
◊ |
[ACT]F:905 |
-x+1,y-1/2,-z+1 |
2_646 |
4 |
1 |
182 |
51.9 |
0.6 |
0.734 |
2 |
0 |
0 |
0.000 |
21 |
46 |
|
[ZN]B:1004 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
9 |
2 |
13017 |
45.8 |
-23.5 |
0.000 |
0 |
0 |
0 |
0.054 |
22 |
47 |
|
[ZN]D:904 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
7 |
5 |
13211 |
44.4 |
-19.8 |
0.000 |
0 |
0 |
0 |
0.036 |
23 |
48 |
|
B |
6 |
3 |
13017 |
f |
[ZN]E:1004 |
-x,y-1/2,-z+1 |
2_546 |
1 |
1 |
98 |
40.7 |
-19.8 |
0.000 |
0 |
0 |
0 |
0.097 |
49 |
|
[ZN]F:903 |
1 |
1 |
98 |
f |
F |
x,y,z |
1_555 |
6 |
3 |
12973 |
32.2 |
-14.5 |
0.000 |
0 |
0 |
0 |
0.097 |
Average: |
36.5 |
-17.1 |
0.000 |
0 |
0 |
0 |
0.097 |
24 |
50 |
|
[ZN]E:1004 |
1 |
1 |
98 |
◊ |
E |
x,y,z |
1_555 |
6 |
3 |
12972 |
38.1 |
-19.2 |
0.000 |
0 |
0 |
0 |
0.000 |
51 |
|
A |
6 |
3 |
13044 |
◊ |
[ZN]F:903 |
-x+1,y-1/2,-z+1 |
2_646 |
1 |
1 |
98 |
30.2 |
-14.1 |
0.000 |
0 |
0 |
0 |
0.000 |
52 |
|
B |
8 |
3 |
13017 |
◊ |
[ZN]D:902 |
-x,y-1/2,-z+1 |
2_546 |
1 |
1 |
98 |
28.2 |
-12.7 |
0.000 |
0 |
0 |
0 |
0.000 |
53 |
|
[ZN]F:904 |
1 |
1 |
98 |
◊ |
F |
x,y,z |
1_555 |
8 |
3 |
12973 |
27.8 |
-13.5 |
0.000 |
0 |
0 |
0 |
0.000 |
Average: |
31.1 |
-14.9 |
0.000 |
0 |
0 |
0 |
0.000 |
25 |
54 |
|
[ZN]E:1003 |
1 |
1 |
98 |
cf |
D |
x,y,z |
1_555 |
7 |
3 |
13211 |
36.1 |
-16.2 |
0.000 |
0 |
0 |
0 |
0.048 |
55 |
|
[ZN]A:902 |
1 |
1 |
98 |
cf |
C |
x,y,z |
1_555 |
7 |
3 |
12914 |
36.0 |
-16.6 |
0.000 |
0 |
0 |
0 |
0.048 |
Average: |
36.0 |
-16.4 |
0.000 |
0 |
0 |
0 |
0.048 |
26 |
56 |
|
[ZN]D:903 |
1 |
1 |
98 |
f |
E |
-x,y-1/2,-z+1 |
2_546 |
3 |
1 |
12972 |
31.1 |
-12.8 |
0.000 |
0 |
0 |
0 |
0.097 |
57 |
|
A |
3 |
1 |
13044 |
f |
[ZN]C:1003 |
-x+1,y-1/2,-z+1 |
2_646 |
1 |
1 |
98 |
30.9 |
-12.9 |
0.000 |
0 |
0 |
0 |
0.097 |
Average: |
31.0 |
-12.9 |
0.000 |
0 |
0 |
0 |
0.097 |
27 |
58 |
|
[ZN]D:902 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
7 |
3 |
13211 |
30.4 |
-16.8 |
0.000 |
0 |
0 |
0 |
0.047 |
59 |
|
C |
7 |
3 |
12914 |
f |
[ZN]F:904 |
-x+1,y-1/2,-z+1 |
2_646 |
1 |
1 |
98 |
29.9 |
-16.3 |
0.000 |
0 |
0 |
0 |
0.047 |
Average: |
30.2 |
-16.5 |
0.000 |
0 |
0 |
0 |
0.047 |
28 |
60 |
|
[ACT]F:906 |
3 |
1 |
182 |
◊ |
[ZN]F:903 |
x,y,z |
1_555 |
1 |
1 |
98 |
26.9 |
-10.2 |
0.000 |
0 |
0 |
0 |
0.000 |
61 |
|
[ACT]D:906 |
3 |
1 |
182 |
◊ |
[ZN]D:902 |
x,y,z |
1_555 |
1 |
1 |
98 |
26.2 |
-9.4 |
0.000 |
0 |
0 |
0 |
0.000 |
62 |
|
[ACT]F:905 |
3 |
1 |
182 |
◊ |
[ZN]F:904 |
x,y,z |
1_555 |
1 |
1 |
98 |
26.0 |
-9.2 |
0.000 |
0 |
0 |
0 |
0.000 |
Average: |
26.4 |
-9.6 |
0.000 |
0 |
0 |
0 |
0.000 |
29 |
63 |
|
A |
1 |
1 |
13044 |
◊ |
F |
-x+1,y-1/2,-z |
2_645 |
1 |
1 |
12973 |
9.3 |
0.2 |
0.463 |
0 |
0 |
0 |
0.000 |
|