## |
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 |
91 |
25 |
15532 |
◊ |
B |
x,y,z |
1_555 |
96 |
25 |
15079 |
844.7 |
1.4 |
0.766 |
16 |
17 |
0 |
0.000 |
2 |
|
C |
94 |
24 |
15358 |
◊ |
A |
x,y,z |
1_555 |
91 |
25 |
15693 |
812.8 |
0.8 |
0.752 |
15 |
18 |
0 |
0.000 |
Average: |
828.8 |
1.1 |
0.759 |
16 |
18 |
0 |
0.000 |
2 |
3 |
|
B |
81 |
24 |
15079 |
◊ |
A |
x,y,z |
1_555 |
81 |
24 |
15693 |
804.6 |
-1.9 |
0.568 |
19 |
8 |
0 |
0.000 |
4 |
|
D |
79 |
23 |
15532 |
◊ |
C |
x,y,z |
1_555 |
80 |
23 |
15358 |
785.5 |
-2.2 |
0.507 |
18 |
8 |
0 |
0.000 |
Average: |
795.0 |
-2.0 |
0.537 |
19 |
8 |
0 |
0.000 |
3 |
5 |
|
D |
55 |
16 |
15532 |
◊ |
A |
x-1/2,-y+1/2,-z |
4_455 |
51 |
13 |
15693 |
495.5 |
-4.1 |
0.259 |
2 |
2 |
0 |
0.000 |
4 |
6 |
|
[D71]D:904 |
28 |
1 |
567 |
f |
D |
x,y,z |
1_555 |
55 |
19 |
15532 |
397.4 |
-0.6 |
0.177 |
1 |
0 |
0 |
0.002 |
7 |
|
[D71]C:903 |
28 |
1 |
570 |
f |
C |
x,y,z |
1_555 |
55 |
19 |
15358 |
395.8 |
-0.3 |
0.198 |
1 |
0 |
0 |
0.002 |
8 |
|
[D71]A:901 |
28 |
1 |
569 |
f |
A |
x,y,z |
1_555 |
57 |
19 |
15693 |
394.9 |
-0.3 |
0.217 |
1 |
0 |
0 |
0.002 |
9 |
|
[D71]B:902 |
28 |
1 |
568 |
f |
B |
x,y,z |
1_555 |
57 |
20 |
15079 |
387.3 |
0.1 |
0.238 |
1 |
0 |
0 |
0.002 |
Average: |
393.9 |
-0.3 |
0.207 |
1 |
0 |
0 |
0.002 |
5 |
10 |
|
C |
54 |
17 |
15358 |
◊ |
A |
-x,y-1/2,-z+1/2 |
3_545 |
31 |
8 |
15693 |
384.3 |
-1.9 |
0.461 |
5 |
2 |
0 |
0.000 |
6 |
11 |
|
B |
33 |
10 |
15079 |
◊ |
A |
-x+1/2,-y,z-1/2 |
2_554 |
24 |
6 |
15693 |
262.4 |
-0.6 |
0.494 |
5 |
0 |
0 |
0.000 |
7 |
12 |
|
D |
28 |
9 |
15532 |
◊ |
C |
-x-1/2,-y,z-1/2 |
2_454 |
28 |
7 |
15358 |
260.2 |
-0.4 |
0.560 |
7 |
0 |
0 |
0.000 |
8 |
13 |
|
C |
18 |
8 |
15358 |
◊ |
B |
x-1/2,-y-1/2,-z |
4_445 |
27 |
12 |
15079 |
222.2 |
-1.6 |
0.399 |
1 |
1 |
0 |
0.000 |
9 |
14 |
|
D |
22 |
7 |
15532 |
◊ |
A |
x,y,z |
1_555 |
23 |
7 |
15693 |
210.9 |
3.6 |
0.917 |
8 |
10 |
0 |
0.000 |
15 |
|
C |
16 |
6 |
15358 |
◊ |
B |
x,y,z |
1_555 |
19 |
7 |
15079 |
182.2 |
2.8 |
0.899 |
5 |
8 |
0 |
0.000 |
Average: |
196.5 |
3.2 |
0.908 |
7 |
9 |
0 |
0.000 |
10 |
16 |
|
[SO4]C:2 |
5 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
13 |
6 |
15358 |
108.1 |
-18.4 |
0.706 |
4 |
0 |
0 |
0.029 |
11 |
17 |
|
[EOH]A:12 |
3 |
1 |
174 |
◊ |
A |
x,y,z |
1_555 |
20 |
7 |
15693 |
106.8 |
3.3 |
0.371 |
0 |
0 |
0 |
0.000 |
12 |
18 |
|
[SO4]B:4 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
14 |
6 |
15079 |
104.5 |
-19.1 |
0.631 |
4 |
0 |
0 |
0.032 |
13 |
19 |
|
[EOH]B:8 |
3 |
1 |
173 |
f |
B |
x,y,z |
1_555 |
16 |
7 |
15079 |
103.9 |
2.8 |
0.201 |
1 |
0 |
0 |
0.000 |
14 |
20 |
|
[SO4]A:3 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
16 |
7 |
15693 |
99.7 |
-16.6 |
0.665 |
3 |
0 |
0 |
0.028 |
15 |
21 |
|
[EOH]B:10 |
3 |
1 |
173 |
◊ |
D |
x,y,z |
1_555 |
12 |
8 |
15532 |
84.7 |
3.2 |
0.312 |
1 |
0 |
0 |
0.000 |
16 |
22 |
|
[EOH]D:7 |
3 |
1 |
173 |
◊ |
D |
x,y,z |
1_555 |
11 |
4 |
15532 |
81.3 |
3.3 |
0.166 |
2 |
0 |
0 |
0.000 |
23 |
|
[EOH]A:5 |
3 |
1 |
173 |
◊ |
A |
x,y,z |
1_555 |
12 |
4 |
15693 |
80.4 |
3.2 |
0.167 |
2 |
0 |
0 |
0.000 |
24 |
|
[EOH]B:11 |
3 |
1 |
172 |
◊ |
B |
x,y,z |
1_555 |
10 |
4 |
15079 |
80.4 |
3.2 |
0.168 |
2 |
0 |
0 |
0.000 |
Average: |
80.7 |
3.2 |
0.167 |
2 |
0 |
0 |
0.000 |
17 |
25 |
|
[EOH]A:9 |
3 |
1 |
172 |
◊ |
C |
x,y,z |
1_555 |
11 |
7 |
15358 |
81.1 |
3.5 |
0.325 |
0 |
0 |
0 |
0.000 |
18 |
26 |
|
[EOH]C:6 |
3 |
1 |
172 |
◊ |
C |
x,y,z |
1_555 |
11 |
4 |
15358 |
80.1 |
3.2 |
0.168 |
2 |
0 |
0 |
0.000 |
19 |
27 |
|
D |
9 |
4 |
15532 |
◊ |
B |
x-1/2,-y-1/2,-z |
4_445 |
8 |
3 |
15079 |
67.2 |
-0.6 |
0.427 |
1 |
0 |
0 |
0.000 |
20 |
28 |
|
[MG]C:806 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
15 |
8 |
15358 |
62.8 |
-8.8 |
0.000 |
0 |
0 |
0 |
0.016 |
29 |
|
[MG]B:804 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
16 |
8 |
15079 |
62.8 |
-7.8 |
0.000 |
0 |
0 |
0 |
0.016 |
30 |
|
[MG]D:808 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
16 |
8 |
15532 |
62.1 |
-7.9 |
0.000 |
0 |
0 |
0 |
0.016 |
31 |
|
[MG]A:802 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
15 |
8 |
15693 |
61.9 |
-7.8 |
0.000 |
0 |
0 |
0 |
0.016 |
Average: |
62.4 |
-8.1 |
0.000 |
0 |
0 |
0 |
0.016 |
21 |
32 |
|
[EOH]B:10 |
3 |
1 |
173 |
f |
B |
x,y,z |
1_555 |
10 |
4 |
15079 |
59.3 |
1.8 |
0.000 |
1 |
0 |
0 |
0.000 |
22 |
33 |
|
[EOH]A:9 |
3 |
1 |
172 |
f |
A |
x,y,z |
1_555 |
10 |
4 |
15693 |
58.9 |
1.5 |
0.000 |
1 |
0 |
0 |
0.000 |
23 |
34 |
|
D |
4 |
1 |
15532 |
◊ |
B |
x-1/2,-y+1/2,-z |
4_455 |
8 |
4 |
15079 |
49.8 |
-0.4 |
0.439 |
0 |
0 |
0 |
0.000 |
24 |
35 |
|
[EOH]B:11 |
2 |
1 |
172 |
f |
A |
x,y,z |
1_555 |
8 |
4 |
15693 |
47.1 |
1.8 |
0.266 |
0 |
0 |
0 |
0.000 |
36 |
|
[EOH]A:5 |
2 |
1 |
173 |
f |
B |
x,y,z |
1_555 |
9 |
4 |
15079 |
45.7 |
1.7 |
0.265 |
0 |
0 |
0 |
0.000 |
37 |
|
[EOH]D:7 |
2 |
1 |
173 |
f |
C |
x,y,z |
1_555 |
8 |
4 |
15358 |
45.5 |
1.7 |
0.265 |
0 |
0 |
0 |
0.000 |
Average: |
46.1 |
1.7 |
0.265 |
0 |
0 |
0 |
0.000 |
25 |
38 |
|
[ZN]B:803 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
8 |
4 |
15079 |
46.7 |
-35.1 |
0.000 |
0 |
0 |
0 |
0.073 |
39 |
|
[ZN]A:801 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
9 |
6 |
15693 |
46.7 |
-35.1 |
0.000 |
0 |
0 |
0 |
0.073 |
40 |
|
[ZN]C:805 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
7 |
4 |
15358 |
46.7 |
-35.3 |
0.000 |
0 |
0 |
0 |
0.073 |
41 |
|
[ZN]D:807 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
7 |
4 |
15532 |
46.6 |
-35.2 |
0.000 |
0 |
0 |
0 |
0.073 |
Average: |
46.7 |
-35.2 |
0.000 |
0 |
0 |
0 |
0.073 |
26 |
42 |
|
[EOH]C:6 |
2 |
1 |
172 |
f |
D |
x,y,z |
1_555 |
8 |
3 |
15532 |
43.0 |
1.6 |
0.262 |
0 |
0 |
0 |
0.000 |
27 |
43 |
|
D |
5 |
3 |
15532 |
x |
D |
x-1/2,-y+1/2,-z |
4_455 |
6 |
3 |
15532 |
41.9 |
-0.1 |
0.467 |
0 |
0 |
0 |
0.000 |
28 |
44 |
|
B |
4 |
2 |
15079 |
x |
B |
x-1/2,-y-1/2,-z |
4_445 |
3 |
2 |
15079 |
22.7 |
-0.1 |
0.572 |
0 |
0 |
0 |
0.000 |
29 |
45 |
|
[MG]A:802 |
1 |
1 |
98 |
f |
[ZN]A:801 |
x,y,z |
1_555 |
1 |
1 |
98 |
12.9 |
-6.3 |
0.000 |
0 |
0 |
0 |
0.010 |
30 |
46 |
|
[MG]B:804 |
1 |
1 |
98 |
f |
[ZN]B:803 |
x,y,z |
1_555 |
1 |
1 |
98 |
12.8 |
-6.2 |
0.000 |
0 |
0 |
0 |
0.010 |
31 |
47 |
|
[MG]C:806 |
1 |
1 |
98 |
f |
[ZN]C:805 |
x,y,z |
1_555 |
1 |
1 |
98 |
12.5 |
-6.0 |
0.000 |
0 |
0 |
0 |
0.009 |
32 |
48 |
|
[MG]D:808 |
1 |
1 |
98 |
f |
[ZN]D:807 |
x,y,z |
1_555 |
1 |
1 |
98 |
12.3 |
-6.0 |
0.000 |
0 |
0 |
0 |
0.012 |
33 |
49 |
|
[EOH]B:8 |
2 |
1 |
173 |
f |
[D71]B:902 |
x,y,z |
1_555 |
1 |
1 |
568 |
10.7 |
0.2 |
0.500 |
0 |
0 |
0 |
0.000 |
34 |
50 |
|
A |
2 |
1 |
15693 |
x |
A |
-x,y-1/2,-z+1/2 |
3_545 |
1 |
1 |
15693 |
6.9 |
-0.1 |
0.417 |
0 |
0 |
0 |
0.000 |
35 |
51 |
|
[EOH]A:12 |
1 |
1 |
174 |
f |
B |
x,y,z |
1_555 |
1 |
1 |
15079 |
6.1 |
0.1 |
0.551 |
0 |
0 |
0 |
0.000 |
|