## |
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 |
|
F |
199 |
52 |
11957 |
◊ |
A |
x,y,z |
1_555 |
199 |
52 |
12083 |
1841.5 |
-23.7 |
0.110 |
27 |
4 |
0 |
0.223 |
2 |
|
C |
199 |
52 |
11974 |
◊ |
B |
x,y,z |
1_555 |
199 |
52 |
12020 |
1840.7 |
-24.6 |
0.079 |
27 |
4 |
0 |
0.223 |
3 |
|
E |
196 |
52 |
11884 |
◊ |
D |
x,y,z |
1_555 |
198 |
52 |
11826 |
1835.3 |
-23.9 |
0.122 |
25 |
4 |
0 |
0.223 |
Average: |
1839.2 |
-24.1 |
0.104 |
26 |
4 |
0 |
0.223 |
2 |
4 |
|
B |
147 |
40 |
12020 |
◊ |
A |
x,y,z |
1_555 |
146 |
40 |
12083 |
1451.0 |
-13.5 |
0.307 |
26 |
22 |
0 |
0.182 |
5 |
|
F |
148 |
41 |
11957 |
◊ |
E |
x,y,z |
1_555 |
151 |
39 |
11884 |
1437.2 |
-12.7 |
0.386 |
26 |
21 |
0 |
0.182 |
6 |
|
D |
147 |
39 |
11826 |
◊ |
C |
x,y,z |
1_555 |
148 |
38 |
11974 |
1422.2 |
-14.1 |
0.310 |
26 |
22 |
0 |
0.182 |
Average: |
1436.8 |
-13.5 |
0.334 |
26 |
22 |
0 |
0.182 |
3 |
7 |
|
F |
37 |
9 |
11957 |
◊ |
D |
-x+1/2,-y,z-1/2 |
2_554 |
32 |
9 |
11826 |
320.9 |
-3.2 |
0.433 |
1 |
0 |
0 |
0.000 |
8 |
|
E |
33 |
10 |
11884 |
◊ |
C |
-x+1/2,-y,z-1/2 |
2_554 |
33 |
9 |
11974 |
292.3 |
-2.6 |
0.475 |
1 |
0 |
0 |
0.000 |
Average: |
306.6 |
-2.9 |
0.454 |
1 |
0 |
0 |
0.000 |
4 |
9 |
|
B |
22 |
7 |
12020 |
◊ |
A |
x-1/2,-y+1/2,-z |
4_455 |
24 |
9 |
12083 |
213.2 |
-1.2 |
0.507 |
2 |
4 |
0 |
0.000 |
5 |
10 |
|
D |
18 |
6 |
11826 |
◊ |
A |
x-1/2,-y+1/2,-z |
4_455 |
21 |
5 |
12083 |
192.7 |
0.7 |
0.810 |
2 |
2 |
0 |
0.000 |
6 |
11 |
|
E |
20 |
4 |
11884 |
◊ |
C |
x,y,z |
1_555 |
21 |
3 |
11974 |
177.5 |
-0.5 |
0.652 |
0 |
0 |
0 |
0.005 |
12 |
|
E |
21 |
3 |
11884 |
◊ |
A |
x,y,z |
1_555 |
21 |
4 |
12083 |
174.1 |
-0.7 |
0.612 |
0 |
0 |
0 |
0.005 |
13 |
|
F |
21 |
3 |
11957 |
◊ |
D |
x,y,z |
1_555 |
20 |
5 |
11826 |
164.8 |
-0.3 |
0.656 |
0 |
0 |
0 |
0.005 |
14 |
|
C |
19 |
4 |
11974 |
◊ |
A |
x,y,z |
1_555 |
20 |
3 |
12083 |
164.6 |
-0.8 |
0.583 |
1 |
0 |
0 |
0.005 |
15 |
|
F |
19 |
4 |
11957 |
◊ |
B |
x,y,z |
1_555 |
19 |
3 |
12020 |
157.7 |
-0.3 |
0.644 |
0 |
0 |
0 |
0.005 |
16 |
|
D |
18 |
3 |
11826 |
◊ |
B |
x,y,z |
1_555 |
20 |
4 |
12020 |
149.8 |
-0.2 |
0.659 |
0 |
0 |
0 |
0.005 |
Average: |
164.7 |
-0.5 |
0.634 |
0 |
0 |
0 |
0.005 |
7 |
17 |
|
[CRN]B:304 |
9 |
1 |
276 |
f |
B |
x,y,z |
1_555 |
38 |
16 |
12020 |
170.4 |
4.8 |
0.551 |
5 |
0 |
0 |
0.000 |
18 |
|
[CRN]A:303 |
9 |
1 |
278 |
f |
A |
x,y,z |
1_555 |
36 |
13 |
12083 |
167.9 |
4.7 |
0.545 |
5 |
0 |
0 |
0.000 |
19 |
|
[CRN]C:305 |
9 |
1 |
276 |
f |
C |
x,y,z |
1_555 |
37 |
15 |
11974 |
167.8 |
4.8 |
0.598 |
5 |
0 |
0 |
0.000 |
20 |
|
[CRN]E:306 |
9 |
1 |
276 |
f |
E |
x,y,z |
1_555 |
35 |
14 |
11884 |
164.9 |
4.5 |
0.558 |
5 |
0 |
0 |
0.000 |
Average: |
167.8 |
4.7 |
0.563 |
5 |
0 |
0 |
0.000 |
8 |
21 |
|
[CRN]F:307 |
9 |
1 |
276 |
f |
F |
x,y,z |
1_555 |
37 |
16 |
11957 |
169.0 |
4.7 |
0.598 |
5 |
0 |
0 |
0.000 |
9 |
22 |
|
F |
22 |
8 |
11957 |
◊ |
C |
-x+1/2,-y,z-1/2 |
2_554 |
16 |
8 |
11974 |
167.5 |
-1.6 |
0.478 |
1 |
0 |
0 |
0.000 |
10 |
23 |
|
F |
16 |
6 |
11957 |
◊ |
A |
x-1/2,-y+1/2,-z |
4_455 |
14 |
5 |
12083 |
130.1 |
-0.5 |
0.625 |
2 |
0 |
0 |
0.000 |
11 |
24 |
|
[SO4]E:413 |
5 |
1 |
186 |
f |
E |
x,y,z |
1_555 |
11 |
5 |
11884 |
102.5 |
-13.3 |
0.938 |
4 |
0 |
0 |
0.095 |
12 |
25 |
|
[SO4]B:410 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
11 |
5 |
12020 |
102.1 |
-13.2 |
0.933 |
4 |
0 |
0 |
0.089 |
13 |
26 |
|
[SO4]D:412 |
5 |
1 |
187 |
f |
D |
x,y,z |
1_555 |
12 |
5 |
11826 |
101.7 |
-13.1 |
0.939 |
4 |
0 |
0 |
0.094 |
14 |
27 |
|
[SO4]C:411 |
5 |
1 |
187 |
f |
C |
x,y,z |
1_555 |
11 |
5 |
11974 |
101.5 |
-13.2 |
0.934 |
4 |
0 |
0 |
0.094 |
28 |
|
[SO4]A:409 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
11 |
5 |
12083 |
100.0 |
-12.9 |
0.937 |
4 |
0 |
0 |
0.094 |
Average: |
100.7 |
-13.0 |
0.936 |
4 |
0 |
0 |
0.094 |
15 |
29 |
|
[SO4]F:414 |
5 |
1 |
186 |
f |
F |
x,y,z |
1_555 |
11 |
5 |
11957 |
100.6 |
-12.9 |
0.937 |
4 |
0 |
0 |
0.093 |
16 |
30 |
|
[SO4]A:403 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
13 |
7 |
12083 |
86.6 |
-12.5 |
0.867 |
2 |
0 |
0 |
0.078 |
17 |
31 |
|
[SO4]A:415 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
13 |
4 |
12083 |
79.3 |
-10.5 |
0.907 |
4 |
0 |
0 |
0.072 |
18 |
32 |
|
[SO4]C:417 |
5 |
1 |
187 |
f |
C |
x,y,z |
1_555 |
12 |
4 |
11974 |
79.1 |
-10.3 |
0.943 |
6 |
0 |
0 |
0.082 |
19 |
33 |
|
[SO4]B:416 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
12 |
4 |
12020 |
78.5 |
-11.3 |
0.881 |
5 |
0 |
0 |
0.081 |
20 |
34 |
|
[SO4]E:401 |
5 |
1 |
185 |
f |
E |
x,y,z |
1_555 |
11 |
3 |
11884 |
78.0 |
-10.6 |
0.907 |
4 |
0 |
0 |
0.079 |
21 |
35 |
|
[SO4]D:400 |
5 |
1 |
186 |
f |
D |
x,y,z |
1_555 |
12 |
3 |
11826 |
77.5 |
-12.2 |
0.652 |
2 |
0 |
0 |
0.082 |
22 |
36 |
|
[SO4]F:402 |
5 |
1 |
186 |
f |
F |
x,y,z |
1_555 |
12 |
4 |
11957 |
75.5 |
-11.2 |
0.682 |
6 |
0 |
0 |
0.088 |
23 |
37 |
|
[ZN]D:301 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
7 |
4 |
11826 |
50.5 |
-37.1 |
0.000 |
0 |
0 |
0 |
0.409 |
38 |
|
[ZN]B:301 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
8 |
5 |
12020 |
37.6 |
-28.1 |
0.000 |
0 |
0 |
0 |
0.409 |
39 |
|
[ZN]A:301 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
8 |
5 |
12083 |
37.6 |
-27.9 |
0.000 |
0 |
0 |
0 |
0.409 |
40 |
|
[ZN]C:301 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
8 |
5 |
11974 |
37.4 |
-27.8 |
0.000 |
0 |
0 |
0 |
0.409 |
41 |
|
[ZN]F:301 |
1 |
1 |
98 |
f |
F |
x,y,z |
1_555 |
9 |
6 |
11957 |
37.2 |
-27.9 |
0.000 |
0 |
0 |
0 |
0.409 |
42 |
|
[ZN]E:301 |
1 |
1 |
98 |
f |
E |
x,y,z |
1_555 |
7 |
4 |
11884 |
37.0 |
-27.9 |
0.000 |
0 |
0 |
0 |
0.409 |
Average: |
39.5 |
-29.5 |
0.000 |
0 |
0 |
0 |
0.409 |
24 |
43 |
|
F |
5 |
3 |
11957 |
◊ |
B |
x-1/2,-y+1/2,-z |
4_455 |
4 |
1 |
12020 |
36.3 |
-0.3 |
0.453 |
0 |
0 |
0 |
0.000 |
25 |
44 |
|
[CRN]A:303 |
3 |
1 |
278 |
f |
[ZN]A:301 |
x,y,z |
1_555 |
1 |
1 |
98 |
28.1 |
-11.5 |
0.000 |
0 |
0 |
0 |
0.146 |
45 |
|
[CRN]F:307 |
3 |
1 |
276 |
f |
[ZN]F:301 |
x,y,z |
1_555 |
1 |
1 |
98 |
28.0 |
-11.6 |
0.000 |
0 |
0 |
0 |
0.146 |
46 |
|
[CRN]C:305 |
3 |
1 |
276 |
f |
[ZN]C:301 |
x,y,z |
1_555 |
1 |
1 |
98 |
27.9 |
-11.5 |
0.000 |
0 |
0 |
0 |
0.146 |
47 |
|
[CRN]E:306 |
3 |
1 |
276 |
f |
[ZN]E:301 |
x,y,z |
1_555 |
1 |
1 |
98 |
27.6 |
-11.5 |
0.000 |
0 |
0 |
0 |
0.146 |
48 |
|
[CRN]B:304 |
3 |
1 |
276 |
f |
[ZN]B:301 |
x,y,z |
1_555 |
1 |
1 |
98 |
27.4 |
-11.3 |
0.000 |
0 |
0 |
0 |
0.146 |
Average: |
27.8 |
-11.5 |
0.000 |
0 |
0 |
0 |
0.146 |
|