## |
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 |
257 |
66 |
19054 |
◊ |
A |
x,y,z |
1_555 |
255 |
63 |
18954 |
2542.5 |
-31.4 |
0.004 |
26 |
14 |
0 |
0.081 |
2 |
|
D |
239 |
61 |
18851 |
◊ |
C |
x,y,z |
1_555 |
247 |
61 |
19130 |
2387.6 |
-29.9 |
0.007 |
19 |
13 |
0 |
0.081 |
Average: |
2465.1 |
-30.6 |
0.006 |
23 |
14 |
0 |
0.081 |
2 |
3 |
|
A |
92 |
22 |
18954 |
◊ |
B |
-y+1,x-y+1,z |
2_665 |
94 |
24 |
19054 |
731.6 |
5.3 |
0.888 |
12 |
18 |
0 |
0.005 |
3 |
4 |
|
C |
53 |
17 |
19130 |
◊ |
B |
x,y,z |
1_555 |
54 |
16 |
19054 |
536.0 |
-4.2 |
0.264 |
4 |
4 |
0 |
0.000 |
5 |
|
D |
48 |
14 |
18851 |
◊ |
A |
x,y,z |
1_555 |
51 |
14 |
18954 |
510.5 |
-3.9 |
0.292 |
2 |
4 |
0 |
0.000 |
Average: |
523.3 |
-4.1 |
0.278 |
3 |
4 |
0 |
0.000 |
4 |
6 |
|
C |
24 |
5 |
19130 |
◊ |
B |
-x+4/3,-x+y+2/3,-z+2/3 |
18_655 |
27 |
7 |
19054 |
206.0 |
-0.7 |
0.506 |
1 |
3 |
0 |
0.003 |
7 |
|
D |
22 |
5 |
18851 |
◊ |
A |
y,x,-z+1 |
4_556 |
26 |
7 |
18954 |
197.9 |
-0.8 |
0.499 |
1 |
3 |
0 |
0.003 |
Average: |
202.0 |
-0.7 |
0.502 |
1 |
3 |
0 |
0.003 |
5 |
8 |
|
B |
15 |
5 |
19054 |
◊ |
D |
-y+1,x-y,z |
2_655 |
13 |
6 |
18851 |
114.8 |
1.4 |
0.789 |
2 |
4 |
0 |
0.000 |
6 |
9 |
|
D |
14 |
3 |
18851 |
x |
D |
-y+1,x-y,z |
2_655 |
10 |
4 |
18851 |
93.0 |
-0.9 |
0.370 |
0 |
0 |
0 |
0.000 |
7 |
10 |
|
C |
13 |
6 |
19130 |
◊ |
A |
x,y,z |
1_555 |
9 |
4 |
18954 |
79.4 |
0.6 |
0.709 |
0 |
0 |
0 |
0.000 |
8 |
11 |
|
[ZN]B:1007 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
12 |
7 |
19054 |
58.8 |
-27.4 |
0.000 |
0 |
0 |
0 |
0.118 |
12 |
|
[ZN]A:1008 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
9 |
5 |
18954 |
55.8 |
-28.4 |
0.000 |
0 |
0 |
0 |
0.118 |
13 |
|
[ZN]D:505 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
11 |
6 |
18851 |
51.2 |
-28.1 |
0.000 |
0 |
0 |
0 |
0.118 |
Average: |
55.3 |
-28.0 |
0.000 |
0 |
0 |
0 |
0.118 |
9 |
14 |
|
[ZN]B:1004 |
1 |
1 |
98 |
cf |
B |
x,y,z |
1_555 |
8 |
6 |
19054 |
50.8 |
-31.2 |
0.000 |
0 |
0 |
0 |
0.139 |
15 |
|
[ZN]A:1004 |
1 |
1 |
98 |
cf |
A |
x,y,z |
1_555 |
8 |
4 |
18954 |
50.5 |
-34.8 |
0.000 |
0 |
0 |
0 |
0.139 |
16 |
|
[ZN]C:1005 |
1 |
1 |
98 |
cf |
C |
x,y,z |
1_555 |
8 |
4 |
19130 |
49.2 |
-32.0 |
0.000 |
0 |
0 |
0 |
0.139 |
17 |
|
[ZN]D:504 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
10 |
4 |
18851 |
48.4 |
-31.7 |
0.000 |
0 |
0 |
0 |
0.139 |
Average: |
49.7 |
-32.5 |
0.000 |
0 |
0 |
0 |
0.139 |
10 |
18 |
|
[ZN]A:1001 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
5 |
5 |
18954 |
50.6 |
-37.0 |
0.000 |
0 |
0 |
0 |
0.153 |
19 |
|
[ZN]D:501 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
7 |
5 |
18851 |
50.4 |
-36.2 |
0.000 |
0 |
0 |
0 |
0.153 |
20 |
|
[ZN]B:1001 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
8 |
5 |
19054 |
50.4 |
-37.1 |
0.000 |
0 |
0 |
0 |
0.153 |
21 |
|
[ZN]C:1002 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
5 |
4 |
19130 |
49.7 |
-35.9 |
0.000 |
0 |
0 |
0 |
0.153 |
Average: |
50.3 |
-36.6 |
0.000 |
0 |
0 |
0 |
0.153 |
11 |
22 |
|
[ZN]B:1002 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
6 |
2 |
19054 |
48.7 |
-30.0 |
0.000 |
0 |
0 |
0 |
0.125 |
23 |
|
[ZN]A:1002 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
6 |
2 |
18954 |
48.6 |
-30.1 |
0.000 |
0 |
0 |
0 |
0.125 |
24 |
|
[ZN]C:1003 |
1 |
1 |
98 |
cf |
C |
x,y,z |
1_555 |
6 |
2 |
19130 |
48.5 |
-29.9 |
0.000 |
0 |
0 |
0 |
0.125 |
25 |
|
[ZN]D:502 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
5 |
2 |
18851 |
48.4 |
-29.9 |
0.000 |
0 |
0 |
0 |
0.125 |
Average: |
48.6 |
-30.0 |
0.000 |
0 |
0 |
0 |
0.125 |
12 |
26 |
|
[ZN]B:1008 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
9 |
5 |
19054 |
48.6 |
-27.1 |
0.000 |
0 |
0 |
0 |
0.054 |
13 |
27 |
|
C |
8 |
3 |
19130 |
◊ |
A |
-y+2,x-y+1,z |
2_765 |
8 |
2 |
18954 |
48.2 |
0.6 |
0.724 |
0 |
0 |
0 |
0.000 |
14 |
28 |
|
[ZN]A:1007 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
9 |
4 |
18954 |
46.7 |
-25.6 |
0.000 |
0 |
0 |
0 |
0.104 |
29 |
|
[ZN]D:507 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
7 |
4 |
18851 |
45.4 |
-24.3 |
0.000 |
0 |
0 |
0 |
0.104 |
30 |
|
[ZN]B:1006 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
10 |
4 |
19054 |
44.9 |
-23.5 |
0.000 |
0 |
0 |
0 |
0.104 |
31 |
|
[ZN]C:1008 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
8 |
4 |
19130 |
40.8 |
-20.7 |
0.000 |
0 |
0 |
0 |
0.104 |
Average: |
44.4 |
-23.5 |
0.000 |
0 |
0 |
0 |
0.104 |
15 |
32 |
|
[ZN]A:1010 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
7 |
4 |
19054 |
45.3 |
-25.3 |
0.000 |
0 |
0 |
0 |
0.098 |
33 |
|
[ZN]C:1009 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
8 |
4 |
18851 |
43.4 |
-23.9 |
0.000 |
0 |
0 |
0 |
0.098 |
34 |
|
[ZN]C:1001 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
10 |
4 |
19130 |
42.6 |
-23.0 |
0.000 |
0 |
0 |
0 |
0.098 |
35 |
|
[ZN]A:1006 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
6 |
4 |
18954 |
41.6 |
-22.7 |
0.000 |
0 |
0 |
0 |
0.098 |
Average: |
43.2 |
-23.7 |
0.000 |
0 |
0 |
0 |
0.098 |
16 |
36 |
|
[ZN]A:1003 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
7 |
4 |
18954 |
44.2 |
-24.6 |
0.000 |
0 |
0 |
0 |
0.137 |
37 |
|
[ZN]D:503 |
1 |
1 |
98 |
cf |
D |
x,y,z |
1_555 |
6 |
4 |
18851 |
43.7 |
-25.2 |
0.000 |
0 |
0 |
0 |
0.137 |
38 |
|
[ZN]B:1003 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
8 |
4 |
19054 |
43.0 |
-22.8 |
0.000 |
0 |
0 |
0 |
0.137 |
39 |
|
[ZN]C:1004 |
1 |
1 |
98 |
cf |
C |
x,y,z |
1_555 |
7 |
4 |
19130 |
39.7 |
-22.6 |
0.000 |
0 |
0 |
0 |
0.137 |
40 |
|
[ZN]C:1006 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
6 |
3 |
19130 |
38.9 |
-20.5 |
0.000 |
0 |
0 |
0 |
0.137 |
Average: |
41.9 |
-23.1 |
0.000 |
0 |
0 |
0 |
0.137 |
17 |
41 |
|
[ZN]B:1005 |
1 |
1 |
98 |
cf |
B |
x,y,z |
1_555 |
7 |
4 |
19054 |
43.0 |
-24.0 |
0.000 |
0 |
0 |
0 |
0.087 |
42 |
|
[ZN]A:1005 |
1 |
1 |
98 |
cf |
A |
x,y,z |
1_555 |
7 |
4 |
18954 |
42.0 |
-23.9 |
0.000 |
0 |
0 |
0 |
0.087 |
Average: |
42.5 |
-24.0 |
0.000 |
0 |
0 |
0 |
0.087 |
18 |
43 |
|
[ZN]B:1009 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
9 |
3 |
19054 |
41.4 |
-21.2 |
0.000 |
0 |
0 |
0 |
0.075 |
44 |
|
[ZN]D:506 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
7 |
3 |
18851 |
38.2 |
-18.6 |
0.000 |
0 |
0 |
0 |
0.075 |
45 |
|
[ZN]A:1009 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
6 |
2 |
18954 |
35.1 |
-17.1 |
0.000 |
0 |
0 |
0 |
0.075 |
46 |
|
[ZN]C:1007 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
4 |
2 |
19130 |
34.7 |
-16.0 |
0.000 |
0 |
0 |
0 |
0.075 |
Average: |
37.3 |
-18.2 |
0.000 |
0 |
0 |
0 |
0.075 |
19 |
47 |
|
[ZN]A:1005 |
1 |
1 |
98 |
◊ |
B |
-y+1,x-y+1,z |
2_665 |
9 |
3 |
19054 |
35.4 |
-15.1 |
0.000 |
0 |
0 |
0 |
0.054 |
48 |
|
A |
7 |
3 |
18954 |
◊ |
[ZN]B:1005 |
-y+1,x-y+1,z |
2_665 |
1 |
1 |
98 |
34.6 |
-14.6 |
0.000 |
0 |
0 |
0 |
0.054 |
Average: |
35.0 |
-14.8 |
0.000 |
0 |
0 |
0 |
0.054 |
20 |
49 |
|
[ZN]A:1006 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
19054 |
35.2 |
-15.7 |
0.000 |
0 |
0 |
0 |
0.059 |
50 |
|
[ZN]C:1001 |
1 |
1 |
98 |
◊ |
D |
x,y,z |
1_555 |
2 |
1 |
18851 |
34.2 |
-15.4 |
0.000 |
0 |
0 |
0 |
0.059 |
51 |
|
[ZN]C:1009 |
1 |
1 |
98 |
◊ |
C |
x,y,z |
1_555 |
4 |
2 |
19130 |
33.0 |
-14.2 |
0.000 |
0 |
0 |
0 |
0.059 |
52 |
|
[ZN]A:1010 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
18954 |
30.8 |
-12.8 |
0.000 |
0 |
0 |
0 |
0.059 |
Average: |
33.3 |
-14.5 |
0.000 |
0 |
0 |
0 |
0.059 |
21 |
53 |
|
[ZN]D:503 |
1 |
1 |
98 |
◊ |
A |
y,x,-z+1 |
4_556 |
3 |
1 |
18954 |
32.0 |
-13.4 |
0.000 |
0 |
0 |
0 |
0.028 |
54 |
|
[ZN]C:1004 |
1 |
1 |
98 |
◊ |
B |
-x+4/3,-x+y+2/3,-z+2/3 |
18_655 |
3 |
1 |
19054 |
30.6 |
-11.8 |
0.000 |
0 |
0 |
0 |
0.028 |
Average: |
31.3 |
-12.6 |
0.000 |
0 |
0 |
0 |
0.028 |
22 |
55 |
|
D |
6 |
2 |
18851 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
19054 |
29.9 |
0.1 |
0.585 |
0 |
0 |
0 |
0.000 |
23 |
56 |
|
[ZN]B:1008 |
1 |
1 |
98 |
◊ |
D |
-y+1,x-y,z |
2_655 |
3 |
1 |
18851 |
27.8 |
-11.5 |
0.000 |
0 |
0 |
0 |
0.011 |
24 |
57 |
|
B |
4 |
2 |
19054 |
◊ |
B |
-x+4/3,-x+y+2/3,-z+2/3 |
18_655 |
4 |
2 |
19054 |
18.6 |
-0.2 |
0.499 |
0 |
0 |
0 |
0.000 |
25 |
58 |
|
[ZN]C:1006 |
1 |
1 |
98 |
◊ |
B |
-x+4/3,-x+y+2/3,-z+2/3 |
18_655 |
4 |
1 |
19054 |
15.1 |
-6.5 |
0.000 |
0 |
0 |
0 |
0.013 |
26 |
59 |
|
[ZN]C:1006 |
1 |
1 |
98 |
f |
[ZN]C:1004 |
x,y,z |
1_555 |
1 |
1 |
98 |
11.3 |
-9.1 |
0.000 |
0 |
0 |
0 |
0.018 |
27 |
60 |
|
A |
3 |
1 |
18954 |
◊ |
A |
y,x,-z+1 |
4_556 |
3 |
1 |
18954 |
8.6 |
-0.0 |
0.596 |
0 |
0 |
0 |
0.000 |
28 |
61 |
|
[ZN]A:1008 |
1 |
1 |
98 |
f |
[ZN]A:1001 |
x,y,z |
1_555 |
1 |
1 |
98 |
1.5 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.003 |
|