## |
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 |
167 |
43 |
15903 |
◊ |
A |
x,y,z |
1_555 |
170 |
45 |
15895 |
1638.5 |
-17.9 |
0.034 |
30 |
6 |
0 |
0.176 |
2 |
|
D |
167 |
43 |
15827 |
◊ |
C |
x,y,z |
1_555 |
167 |
45 |
15931 |
1635.9 |
-17.5 |
0.036 |
29 |
5 |
0 |
0.176 |
Average: |
1637.2 |
-17.7 |
0.035 |
30 |
6 |
0 |
0.176 |
2 |
3 |
|
D |
84 |
24 |
15827 |
◊ |
B |
x,y,z |
1_555 |
87 |
25 |
15903 |
815.2 |
1.7 |
0.745 |
5 |
4 |
0 |
0.005 |
4 |
|
C |
86 |
23 |
15931 |
◊ |
A |
x,y,z |
1_555 |
86 |
24 |
15895 |
810.5 |
2.7 |
0.797 |
7 |
4 |
0 |
0.005 |
Average: |
812.8 |
2.2 |
0.771 |
6 |
4 |
0 |
0.005 |
3 |
5 |
|
D |
78 |
23 |
15827 |
◊ |
A |
x,y,z |
1_555 |
82 |
24 |
15895 |
763.2 |
-6.6 |
0.210 |
6 |
0 |
0 |
0.051 |
6 |
|
C |
85 |
25 |
15931 |
◊ |
B |
x,y,z |
1_555 |
82 |
23 |
15903 |
758.8 |
-7.4 |
0.173 |
7 |
0 |
0 |
0.051 |
Average: |
761.0 |
-7.0 |
0.192 |
7 |
0 |
0 |
0.051 |
4 |
7 |
|
[NAD]A:403 |
42 |
1 |
840 |
f |
A |
x,y,z |
1_555 |
85 |
40 |
15895 |
591.4 |
-5.2 |
0.469 |
15 |
0 |
0 |
0.140 |
8 |
|
[NAD]C:403 |
44 |
1 |
830 |
f |
C |
x,y,z |
1_555 |
86 |
37 |
15931 |
587.2 |
-4.6 |
0.508 |
17 |
0 |
0 |
0.140 |
9 |
|
[NAD]D:403 |
43 |
1 |
851 |
f |
D |
x,y,z |
1_555 |
84 |
38 |
15827 |
585.9 |
-5.4 |
0.483 |
18 |
0 |
0 |
0.140 |
10 |
|
[NAD]B:403 |
42 |
1 |
830 |
f |
B |
x,y,z |
1_555 |
86 |
38 |
15903 |
583.5 |
-5.0 |
0.486 |
14 |
0 |
0 |
0.140 |
Average: |
587.0 |
-5.0 |
0.487 |
16 |
0 |
0 |
0.140 |
5 |
11 |
|
B |
35 |
10 |
15903 |
x |
B |
-x,y-1/2,-z |
2_545 |
33 |
10 |
15903 |
313.2 |
-3.8 |
0.188 |
0 |
1 |
0 |
0.000 |
12 |
|
C |
33 |
9 |
15931 |
x |
C |
-x,y-1/2,-z+1 |
2_546 |
36 |
11 |
15931 |
308.6 |
-3.4 |
0.227 |
0 |
3 |
0 |
0.000 |
Average: |
310.9 |
-3.6 |
0.207 |
0 |
2 |
0 |
0.000 |
6 |
13 |
|
B |
41 |
12 |
15903 |
◊ |
C |
-x,y-1/2,-z |
2_545 |
37 |
10 |
15931 |
307.7 |
1.8 |
0.762 |
3 |
2 |
0 |
0.000 |
14 |
|
B |
37 |
12 |
15903 |
◊ |
C |
-x,y-1/2,-z+1 |
2_546 |
41 |
12 |
15931 |
297.7 |
0.1 |
0.537 |
3 |
0 |
0 |
0.000 |
Average: |
302.7 |
1.0 |
0.649 |
3 |
1 |
0 |
0.000 |
7 |
15 |
|
D |
33 |
8 |
15827 |
◊ |
C |
-x,y-1/2,-z+1 |
2_546 |
32 |
11 |
15931 |
276.6 |
-3.6 |
0.193 |
2 |
0 |
0 |
0.000 |
16 |
|
B |
31 |
11 |
15903 |
◊ |
A |
-x,y-1/2,-z |
2_545 |
36 |
12 |
15895 |
267.8 |
-4.2 |
0.143 |
1 |
0 |
0 |
0.000 |
Average: |
272.2 |
-3.9 |
0.168 |
2 |
0 |
0 |
0.000 |
8 |
17 |
|
D |
26 |
10 |
15827 |
x |
D |
-x+1,y-1/2,-z+1 |
2_646 |
23 |
6 |
15827 |
201.2 |
0.2 |
0.610 |
1 |
0 |
0 |
0.000 |
9 |
18 |
|
A |
12 |
5 |
15895 |
x |
A |
-x+1,y-1/2,-z |
2_645 |
22 |
9 |
15895 |
120.9 |
2.4 |
0.859 |
0 |
0 |
0 |
0.000 |
10 |
19 |
|
[SO4]B:404 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
14 |
5 |
15903 |
98.3 |
-14.9 |
0.806 |
4 |
0 |
0 |
0.092 |
11 |
20 |
|
[SO4]C:404 |
5 |
1 |
187 |
f |
C |
x,y,z |
1_555 |
10 |
5 |
15931 |
97.8 |
-14.8 |
0.799 |
4 |
0 |
0 |
0.091 |
12 |
21 |
|
[SO4]A:404 |
5 |
1 |
187 |
f |
A |
x,y,z |
1_555 |
11 |
6 |
15895 |
96.0 |
-13.9 |
0.819 |
6 |
0 |
0 |
0.091 |
13 |
22 |
|
[SO4]D:404 |
5 |
1 |
186 |
f |
D |
x,y,z |
1_555 |
14 |
6 |
15827 |
93.4 |
-13.7 |
0.763 |
6 |
0 |
0 |
0.090 |
14 |
23 |
|
[SO4]B:405 |
5 |
1 |
187 |
f |
B |
x,y,z |
1_555 |
13 |
4 |
15903 |
81.2 |
-12.2 |
0.723 |
2 |
0 |
0 |
0.072 |
15 |
24 |
|
[SO4]C:405 |
5 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
11 |
4 |
15931 |
80.7 |
-11.3 |
0.790 |
2 |
0 |
0 |
0.067 |
16 |
25 |
|
[ZN]B:402 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
8 |
6 |
15903 |
42.4 |
-31.7 |
0.000 |
0 |
0 |
0 |
0.342 |
26 |
|
[ZN]C:402 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
9 |
6 |
15931 |
41.9 |
-30.6 |
0.000 |
0 |
0 |
0 |
0.342 |
27 |
|
[ZN]A:402 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
5 |
4 |
15895 |
40.7 |
-30.7 |
0.000 |
0 |
0 |
0 |
0.342 |
28 |
|
[ZN]D:402 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
5 |
4 |
15827 |
39.9 |
-30.0 |
0.000 |
0 |
0 |
0 |
0.342 |
Average: |
41.2 |
-30.7 |
0.000 |
0 |
0 |
0 |
0.342 |
17 |
29 |
|
[NAD]B:403 |
3 |
1 |
830 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
15895 |
34.8 |
-0.4 |
0.187 |
0 |
0 |
0 |
0.005 |
30 |
|
[NAD]C:403 |
4 |
1 |
830 |
◊ |
D |
x,y,z |
1_555 |
2 |
1 |
15827 |
32.8 |
-0.4 |
0.199 |
0 |
0 |
0 |
0.005 |
31 |
|
[NAD]D:403 |
4 |
1 |
851 |
◊ |
C |
x,y,z |
1_555 |
2 |
1 |
15931 |
29.6 |
-0.5 |
0.216 |
0 |
0 |
0 |
0.005 |
32 |
|
[NAD]A:403 |
4 |
1 |
840 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
15903 |
28.6 |
-0.5 |
0.226 |
0 |
0 |
0 |
0.005 |
Average: |
31.5 |
-0.4 |
0.207 |
0 |
0 |
0 |
0.005 |
18 |
33 |
|
[NAD]D:403 |
3 |
1 |
851 |
f |
[ZN]D:402 |
x,y,z |
1_555 |
1 |
1 |
98 |
23.0 |
-9.5 |
0.000 |
0 |
0 |
0 |
0.101 |
34 |
|
[NAD]C:403 |
3 |
1 |
830 |
f |
[ZN]C:402 |
x,y,z |
1_555 |
1 |
1 |
98 |
21.5 |
-8.8 |
0.000 |
0 |
0 |
0 |
0.101 |
35 |
|
[NAD]A:403 |
3 |
1 |
840 |
f |
[ZN]A:402 |
x,y,z |
1_555 |
1 |
1 |
98 |
21.3 |
-8.7 |
0.000 |
0 |
0 |
0 |
0.101 |
36 |
|
[NAD]B:403 |
3 |
1 |
830 |
f |
[ZN]B:402 |
x,y,z |
1_555 |
1 |
1 |
98 |
21.0 |
-8.8 |
0.000 |
0 |
0 |
0 |
0.101 |
Average: |
21.7 |
-9.0 |
0.000 |
0 |
0 |
0 |
0.101 |
19 |
37 |
|
B |
1 |
1 |
15903 |
◊ |
[SO4]B:404 |
-x,y-1/2,-z |
2_545 |
1 |
1 |
186 |
2.5 |
-0.3 |
0.863 |
0 |
0 |
0 |
0.000 |
|