## |
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 |
89 |
22 |
9562 |
◊ |
A |
x,y,z |
1_555 |
98 |
23 |
9549 |
874.5 |
-7.7 |
0.342 |
10 |
11 |
0 |
0.045 |
2 |
2 |
|
D |
75 |
24 |
9497 |
◊ |
C |
-y+2,x+1,z-1/4 |
3_764 |
79 |
27 |
9562 |
798.2 |
-16.8 |
0.018 |
2 |
0 |
0 |
0.064 |
3 |
|
A |
71 |
25 |
9549 |
◊ |
B |
-y+1,x+1,z-1/4 |
3_664 |
67 |
25 |
9522 |
717.4 |
-14.3 |
0.020 |
2 |
0 |
0 |
0.064 |
Average: |
757.8 |
-15.6 |
0.019 |
2 |
0 |
0 |
0.064 |
3 |
4 |
|
D |
64 |
17 |
9497 |
◊ |
C |
x,y,z |
1_555 |
72 |
19 |
9562 |
586.1 |
-5.1 |
0.405 |
6 |
1 |
0 |
0.021 |
5 |
|
B |
52 |
16 |
9522 |
◊ |
A |
x,y,z |
1_555 |
57 |
17 |
9549 |
482.4 |
-1.9 |
0.565 |
6 |
2 |
0 |
0.021 |
Average: |
534.3 |
-3.5 |
0.485 |
6 |
2 |
0 |
0.021 |
4 |
6 |
|
A |
44 |
10 |
9549 |
◊ |
D |
x-1,y,z |
1_455 |
43 |
14 |
9497 |
416.6 |
5.3 |
0.880 |
10 |
9 |
0 |
0.002 |
7 |
|
B |
39 |
14 |
9522 |
◊ |
C |
x,y-1,z |
1_545 |
48 |
11 |
9562 |
372.2 |
4.4 |
0.792 |
2 |
12 |
0 |
0.002 |
Average: |
394.4 |
4.8 |
0.836 |
6 |
11 |
0 |
0.002 |
5 |
8 |
|
B |
31 |
8 |
9522 |
◊ |
C |
-y+1,x,z-1/4 |
3_654 |
26 |
11 |
9562 |
255.6 |
2.2 |
0.844 |
3 |
2 |
0 |
0.000 |
9 |
|
A |
32 |
12 |
9549 |
◊ |
D |
-y+2,x,z-1/4 |
3_754 |
23 |
7 |
9497 |
241.4 |
1.0 |
0.705 |
0 |
1 |
0 |
0.000 |
Average: |
248.5 |
1.6 |
0.775 |
2 |
2 |
0 |
0.000 |
6 |
10 |
|
B |
28 |
11 |
9522 |
◊ |
D |
x,y-1,z |
1_545 |
22 |
7 |
9497 |
245.4 |
0.1 |
0.666 |
0 |
0 |
0 |
0.000 |
11 |
|
B |
8 |
3 |
9522 |
◊ |
D |
x-1,y,z |
1_455 |
9 |
3 |
9497 |
63.1 |
0.8 |
0.747 |
1 |
1 |
0 |
0.000 |
Average: |
154.3 |
0.4 |
0.706 |
1 |
1 |
0 |
0.000 |
7 |
12 |
|
B |
4 |
3 |
9522 |
◊ |
A |
x-1,y,z |
1_455 |
7 |
3 |
9549 |
54.4 |
0.6 |
0.659 |
0 |
0 |
0 |
0.000 |
8 |
13 |
|
B |
10 |
5 |
9522 |
f |
[ZN]C:407 |
x,y-1,z |
1_545 |
1 |
1 |
98 |
49.3 |
-24.0 |
0.000 |
0 |
0 |
0 |
0.202 |
14 |
|
[ZN]C:425 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
4 |
3 |
9562 |
40.2 |
-20.6 |
0.000 |
0 |
0 |
0 |
0.202 |
15 |
|
[ZN]A:401 |
1 |
1 |
98 |
f |
D |
x-1,y,z |
1_455 |
2 |
1 |
9497 |
34.4 |
-17.2 |
0.000 |
0 |
0 |
0 |
0.202 |
Average: |
41.3 |
-20.6 |
0.000 |
0 |
0 |
0 |
0.202 |
9 |
16 |
|
[ZN]D:418 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
8 |
2 |
9497 |
49.3 |
-28.6 |
0.000 |
0 |
0 |
0 |
0.113 |
17 |
|
[ZN]B:420 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
8 |
3 |
9522 |
47.3 |
-24.9 |
0.000 |
0 |
0 |
0 |
0.113 |
Average: |
48.3 |
-26.8 |
0.000 |
0 |
0 |
0 |
0.113 |
10 |
18 |
|
[ZN]A:403 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
10 |
6 |
9549 |
47.5 |
-23.3 |
0.000 |
0 |
0 |
0 |
0.159 |
19 |
|
[ZN]C:409 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
7 |
5 |
9562 |
46.2 |
-25.9 |
0.000 |
0 |
0 |
0 |
0.159 |
Average: |
46.8 |
-24.6 |
0.000 |
0 |
0 |
0 |
0.159 |
11 |
20 |
|
[ZN]A:419 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
8 |
5 |
9549 |
46.6 |
-24.6 |
0.000 |
0 |
0 |
0 |
0.099 |
12 |
21 |
|
[ZN]C:406 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
9 |
5 |
9549 |
44.5 |
-19.3 |
0.000 |
0 |
0 |
0 |
0.127 |
22 |
|
[ZN]C:406 |
1 |
1 |
98 |
◊ |
C |
x,y,z |
1_555 |
8 |
5 |
9562 |
42.6 |
-20.0 |
0.000 |
0 |
0 |
0 |
0.127 |
Average: |
43.6 |
-19.6 |
0.000 |
0 |
0 |
0 |
0.127 |
13 |
23 |
|
[ZN]A:401 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
7 |
3 |
9549 |
43.3 |
-19.5 |
0.000 |
0 |
0 |
0 |
0.072 |
24 |
|
[ZN]C:407 |
1 |
1 |
98 |
◊ |
C |
x,y,z |
1_555 |
4 |
2 |
9562 |
33.0 |
-14.8 |
0.000 |
0 |
0 |
0 |
0.072 |
Average: |
38.1 |
-17.1 |
0.000 |
0 |
0 |
0 |
0.072 |
14 |
25 |
|
[ZN]A:404 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
6 |
3 |
9549 |
40.4 |
-22.5 |
0.000 |
0 |
0 |
0 |
0.129 |
26 |
|
[ZN]C:400 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
7 |
3 |
9562 |
36.4 |
-17.3 |
0.000 |
0 |
0 |
0 |
0.129 |
Average: |
38.4 |
-19.9 |
0.000 |
0 |
0 |
0 |
0.129 |
15 |
27 |
|
[ZN]A:424 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
6 |
2 |
9549 |
39.5 |
-21.2 |
0.000 |
0 |
0 |
0 |
0.105 |
28 |
|
[ZN]C:412 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
5 |
3 |
9562 |
24.9 |
-11.2 |
0.000 |
0 |
0 |
0 |
0.105 |
Average: |
32.2 |
-16.2 |
0.000 |
0 |
0 |
0 |
0.105 |
16 |
29 |
|
[ZN]C:423 |
1 |
1 |
98 |
◊ |
C |
x,y,z |
1_555 |
8 |
4 |
9562 |
37.6 |
-18.9 |
0.000 |
0 |
0 |
0 |
0.173 |
30 |
|
[ZN]B:405 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
8 |
4 |
9522 |
35.7 |
-17.8 |
0.000 |
0 |
0 |
0 |
0.173 |
31 |
|
[ZN]C:408 |
1 |
1 |
98 |
◊ |
C |
x,y,z |
1_555 |
6 |
3 |
9562 |
34.5 |
-18.7 |
0.000 |
0 |
0 |
0 |
0.173 |
32 |
|
[ZN]A:413 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
8 |
4 |
9522 |
33.7 |
-18.0 |
0.000 |
0 |
0 |
0 |
0.173 |
33 |
|
[ZN]A:416 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
10 |
5 |
9549 |
32.2 |
-15.9 |
0.000 |
0 |
0 |
0 |
0.173 |
34 |
|
[ZN]A:402 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
5 |
3 |
9549 |
31.7 |
-15.6 |
0.000 |
0 |
0 |
0 |
0.173 |
35 |
|
[ZN]C:421 |
1 |
1 |
98 |
◊ |
D |
x,y,z |
1_555 |
7 |
4 |
9497 |
30.0 |
-15.7 |
0.000 |
0 |
0 |
0 |
0.173 |
36 |
|
[ZN]C:411 |
1 |
1 |
98 |
◊ |
D |
x,y,z |
1_555 |
6 |
4 |
9497 |
26.4 |
-11.1 |
0.000 |
0 |
0 |
0 |
0.173 |
Average: |
32.7 |
-16.5 |
0.000 |
0 |
0 |
0 |
0.173 |
17 |
37 |
|
D |
8 |
4 |
9497 |
◊ |
[ZN]C:412 |
-y+2,x+1,z-1/4 |
3_764 |
1 |
1 |
98 |
35.8 |
-16.5 |
0.000 |
0 |
0 |
0 |
0.068 |
38 |
|
[ZN]A:424 |
1 |
1 |
98 |
◊ |
B |
-y+1,x+1,z-1/4 |
3_664 |
6 |
2 |
9522 |
33.9 |
-16.9 |
0.000 |
0 |
0 |
0 |
0.068 |
Average: |
34.8 |
-16.7 |
0.000 |
0 |
0 |
0 |
0.068 |
18 |
39 |
|
[ZN]B:414 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
9522 |
34.7 |
-16.8 |
0.000 |
0 |
0 |
0 |
0.069 |
40 |
|
[ZN]B:414 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
9549 |
22.5 |
-10.0 |
0.000 |
0 |
0 |
0 |
0.069 |
41 |
|
[ZN]D:422 |
1 |
1 |
98 |
◊ |
C |
x,y,z |
1_555 |
3 |
1 |
9562 |
16.9 |
-7.2 |
0.000 |
0 |
0 |
0 |
0.069 |
Average: |
24.7 |
-11.3 |
0.000 |
0 |
0 |
0 |
0.069 |
19 |
42 |
|
[ZN]D:422 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
4 |
2 |
9497 |
34.7 |
-17.2 |
0.000 |
0 |
0 |
0 |
0.110 |
43 |
|
[ZN]C:415 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
6 |
2 |
9497 |
26.7 |
-11.7 |
0.000 |
0 |
0 |
0 |
0.110 |
Average: |
30.7 |
-14.4 |
0.000 |
0 |
0 |
0 |
0.110 |
20 |
44 |
|
[ZN]A:417 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
9 |
3 |
9549 |
33.5 |
-18.0 |
0.000 |
0 |
0 |
0 |
0.091 |
45 |
|
[ZN]C:415 |
1 |
1 |
98 |
◊ |
C |
x,y,z |
1_555 |
8 |
2 |
9562 |
33.1 |
-15.7 |
0.000 |
0 |
0 |
0 |
0.091 |
46 |
|
[ZN]A:417 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
8 |
3 |
9522 |
32.7 |
-17.3 |
0.000 |
0 |
0 |
0 |
0.091 |
Average: |
33.1 |
-17.0 |
0.000 |
0 |
0 |
0 |
0.091 |
21 |
47 |
|
[ZN]A:413 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
7 |
4 |
9549 |
31.8 |
-14.1 |
0.000 |
0 |
0 |
0 |
0.246 |
48 |
|
[ZN]A:416 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
4 |
3 |
9522 |
31.4 |
-14.9 |
0.000 |
0 |
0 |
0 |
0.246 |
49 |
|
[ZN]C:421 |
1 |
1 |
98 |
cf |
C |
x,y,z |
1_555 |
8 |
3 |
9562 |
30.1 |
-15.6 |
0.000 |
0 |
0 |
0 |
0.246 |
50 |
|
[ZN]C:408 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
6 |
3 |
9497 |
29.9 |
-13.3 |
0.000 |
0 |
0 |
0 |
0.246 |
51 |
|
[ZN]A:402 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
5 |
3 |
9522 |
26.6 |
-12.1 |
0.000 |
0 |
0 |
0 |
0.246 |
52 |
|
[ZN]C:411 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
5 |
3 |
9562 |
26.3 |
-11.6 |
0.000 |
0 |
0 |
0 |
0.246 |
53 |
|
[ZN]C:423 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
6 |
2 |
9497 |
14.1 |
-6.1 |
0.000 |
0 |
0 |
0 |
0.246 |
54 |
|
[ZN]B:405 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
3 |
2 |
9549 |
9.3 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.246 |
Average: |
24.9 |
-11.4 |
0.000 |
0 |
0 |
0 |
0.246 |
22 |
55 |
|
[ZN]C:400 |
1 |
1 |
98 |
◊ |
D |
x,y,z |
1_555 |
4 |
2 |
9497 |
31.8 |
-13.7 |
0.000 |
0 |
0 |
0 |
0.037 |
56 |
|
[ZN]A:404 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
9522 |
21.7 |
-8.8 |
0.000 |
0 |
0 |
0 |
0.037 |
Average: |
26.7 |
-11.3 |
0.000 |
0 |
0 |
0 |
0.037 |
23 |
57 |
|
[ZN]A:403 |
1 |
1 |
98 |
◊ |
D |
-y+2,x,z-1/4 |
3_754 |
3 |
1 |
9497 |
31.0 |
-13.5 |
0.000 |
0 |
0 |
0 |
0.059 |
58 |
|
B |
3 |
2 |
9522 |
◊ |
[ZN]C:409 |
-y+1,x,z-1/4 |
3_654 |
1 |
1 |
98 |
30.1 |
-13.0 |
0.000 |
0 |
0 |
0 |
0.059 |
Average: |
30.6 |
-13.3 |
0.000 |
0 |
0 |
0 |
0.059 |
24 |
59 |
|
B |
4 |
2 |
9522 |
◊ |
A |
x,y-1,z |
1_545 |
7 |
3 |
9549 |
30.2 |
-0.2 |
0.470 |
0 |
0 |
0 |
0.001 |
60 |
|
C |
2 |
1 |
9562 |
◊ |
D |
x-1,y,z |
1_455 |
3 |
1 |
9497 |
19.6 |
-0.6 |
0.277 |
0 |
0 |
0 |
0.001 |
Average: |
24.9 |
-0.4 |
0.374 |
0 |
0 |
0 |
0.001 |
25 |
61 |
|
B |
6 |
2 |
9522 |
◊ |
D |
x-1,y-1,z |
1_445 |
5 |
2 |
9497 |
29.8 |
-0.5 |
0.451 |
0 |
0 |
0 |
0.000 |
26 |
62 |
|
D |
4 |
2 |
9497 |
◊ |
A |
x,y,z |
1_555 |
4 |
2 |
9549 |
29.3 |
0.8 |
0.702 |
0 |
0 |
0 |
0.000 |
27 |
63 |
|
[ZN]B:414 |
1 |
1 |
98 |
◊ |
[ZN]B:405 |
x,y,z |
1_555 |
1 |
1 |
98 |
23.3 |
-18.6 |
0.000 |
0 |
0 |
0 |
0.048 |
28 |
64 |
|
[ZN]C:400 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
9549 |
21.5 |
-7.9 |
0.000 |
0 |
0 |
0 |
0.052 |
65 |
|
[ZN]A:404 |
1 |
1 |
98 |
◊ |
C |
x,y,z |
1_555 |
3 |
1 |
9562 |
20.0 |
-8.3 |
0.000 |
0 |
0 |
0 |
0.052 |
Average: |
20.7 |
-8.1 |
0.000 |
0 |
0 |
0 |
0.052 |
29 |
66 |
|
[ZN]A:416 |
1 |
1 |
98 |
f |
[ZN]A:402 |
x,y,z |
1_555 |
1 |
1 |
98 |
21.3 |
-17.1 |
0.000 |
0 |
0 |
0 |
0.077 |
30 |
67 |
|
[ZN]C:423 |
1 |
1 |
98 |
f |
[ZN]C:408 |
x,y,z |
1_555 |
1 |
1 |
98 |
19.7 |
-15.8 |
0.000 |
0 |
0 |
0 |
0.060 |
31 |
68 |
|
[ZN]D:422 |
1 |
1 |
98 |
f |
[ZN]C:415 |
x,y,z |
1_555 |
1 |
1 |
98 |
19.0 |
-15.2 |
0.000 |
0 |
0 |
0 |
0.058 |
32 |
69 |
|
[ZN]B:405 |
1 |
1 |
98 |
f |
[ZN]A:413 |
x,y,z |
1_555 |
1 |
1 |
98 |
18.5 |
-14.8 |
0.000 |
0 |
0 |
0 |
0.059 |
33 |
70 |
|
[ZN]C:421 |
1 |
1 |
98 |
f |
[ZN]C:411 |
x,y,z |
1_555 |
1 |
1 |
98 |
16.9 |
-13.5 |
0.000 |
0 |
0 |
0 |
0.061 |
34 |
71 |
|
B |
3 |
2 |
9522 |
◊ |
[ZN]A:419 |
x-1,y,z |
1_455 |
1 |
1 |
98 |
14.4 |
-5.9 |
0.000 |
0 |
0 |
0 |
0.000 |
72 |
|
[ZN]C:425 |
1 |
1 |
98 |
◊ |
D |
x,y-1,z |
1_545 |
1 |
1 |
9497 |
0.3 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.000 |
Average: |
7.4 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.000 |
35 |
73 |
|
[ZN]D:422 |
1 |
1 |
98 |
◊ |
[ZN]C:411 |
x,y,z |
1_555 |
1 |
1 |
98 |
13.6 |
-10.9 |
0.000 |
0 |
0 |
0 |
0.029 |
36 |
74 |
|
[ZN]C:415 |
1 |
1 |
98 |
◊ |
[ZN]C:411 |
x,y,z |
1_555 |
1 |
1 |
98 |
11.1 |
-8.9 |
0.000 |
0 |
0 |
0 |
0.024 |
37 |
75 |
|
[ZN]B:414 |
1 |
1 |
98 |
f |
[ZN]A:417 |
x,y,z |
1_555 |
1 |
1 |
98 |
5.4 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.100 |
38 |
76 |
|
[ZN]A:417 |
1 |
1 |
98 |
◊ |
[ZN]A:402 |
x,y,z |
1_555 |
1 |
1 |
98 |
4.9 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.010 |
39 |
77 |
|
[ZN]C:421 |
1 |
1 |
98 |
◊ |
[ZN]C:415 |
x,y,z |
1_555 |
1 |
1 |
98 |
3.1 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.007 |
40 |
78 |
|
A |
1 |
1 |
9549 |
x |
A |
-y+2,x+1,z-1/4 |
3_764 |
1 |
1 |
9549 |
1.8 |
-0.0 |
0.581 |
0 |
0 |
0 |
0.000 |
79 |
|
C |
1 |
1 |
9562 |
x |
C |
-y+1,x+1,z-1/4 |
3_664 |
1 |
1 |
9562 |
1.6 |
-0.0 |
0.589 |
0 |
0 |
0 |
0.000 |
Average: |
1.7 |
-0.0 |
0.585 |
0 |
0 |
0 |
0.000 |
41 |
80 |
|
[ZN]B:405 |
1 |
1 |
98 |
◊ |
[ZN]A:417 |
x,y,z |
1_555 |
1 |
1 |
98 |
0.6 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.001 |
42 |
81 |
|
[ZN]B:414 |
1 |
1 |
98 |
◊ |
[ZN]A:413 |
x,y,z |
1_555 |
1 |
1 |
98 |
0.6 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.001 |
|