## |
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 |
130 |
40 |
17382 |
◊ |
A |
x,y,z |
1_555 |
125 |
42 |
17278 |
1197.0 |
-8.7 |
0.109 |
8 |
0 |
0 |
0.020 |
2 |
2 |
|
A |
54 |
16 |
17278 |
x |
A |
x-y,x-1,z-1/6 |
2_544 |
52 |
18 |
17278 |
450.1 |
-1.8 |
0.368 |
3 |
0 |
0 |
0.000 |
3 |
|
B |
51 |
17 |
17382 |
x |
B |
x-y,x-1,z-1/6 |
2_544 |
50 |
14 |
17382 |
430.4 |
-3.1 |
0.245 |
2 |
0 |
0 |
0.000 |
Average: |
440.3 |
-2.5 |
0.307 |
3 |
0 |
0 |
0.000 |
3 |
4 |
|
[MAL]A:506 |
18 |
1 |
458 |
f |
A |
x,y,z |
1_555 |
35 |
8 |
17278 |
218.7 |
0.5 |
0.319 |
2 |
0 |
0 |
0.000 |
5 |
|
[MAL]B:503 |
18 |
1 |
456 |
f |
B |
x,y,z |
1_555 |
35 |
8 |
17382 |
214.9 |
0.2 |
0.326 |
0 |
0 |
0 |
0.000 |
Average: |
216.8 |
0.3 |
0.323 |
1 |
0 |
0 |
0.000 |
4 |
6 |
|
B |
26 |
9 |
17382 |
◊ |
A |
-y,x-y-1,z-1/3 |
3_544 |
21 |
8 |
17278 |
206.2 |
-0.2 |
0.458 |
2 |
2 |
0 |
0.000 |
5 |
7 |
|
[K]B:502 |
1 |
1 |
216 |
f |
B |
x,y,z |
1_555 |
12 |
7 |
17382 |
116.2 |
-106.5 |
0.000 |
0 |
0 |
0 |
0.343 |
8 |
|
[K]A:505 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
12 |
7 |
17278 |
116.0 |
-106.9 |
0.000 |
0 |
0 |
0 |
0.343 |
Average: |
116.1 |
-106.7 |
0.000 |
0 |
0 |
0 |
0.343 |
6 |
9 |
|
[K]A:503 |
1 |
1 |
216 |
f |
B |
x,y,z |
1_555 |
16 |
6 |
17382 |
104.0 |
-63.7 |
0.000 |
0 |
0 |
0 |
0.204 |
10 |
|
[K]A:504 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
15 |
6 |
17278 |
102.8 |
-63.5 |
0.000 |
0 |
0 |
0 |
0.204 |
Average: |
103.4 |
-63.6 |
0.000 |
0 |
0 |
0 |
0.204 |
7 |
11 |
|
[SO4]A:510 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
13 |
6 |
17278 |
85.9 |
-8.4 |
0.948 |
2 |
0 |
0 |
0.015 |
8 |
12 |
|
[SO4]B:510 |
5 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
12 |
5 |
17382 |
83.8 |
-12.5 |
0.556 |
5 |
0 |
0 |
0.024 |
9 |
13 |
|
[SO4]B:506 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
9 |
3 |
17382 |
79.0 |
-11.9 |
0.633 |
4 |
0 |
0 |
0.022 |
10 |
14 |
|
[SO4]B:507 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
11 |
7 |
17382 |
79.0 |
-10.1 |
0.837 |
2 |
0 |
0 |
0.018 |
11 |
15 |
|
[SO4]A:509 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
9 |
3 |
17278 |
77.3 |
-10.9 |
0.748 |
4 |
0 |
0 |
0.020 |
12 |
16 |
|
[K]A:503 |
1 |
1 |
216 |
◊ |
A |
x,y,z |
1_555 |
8 |
3 |
17278 |
76.5 |
-45.4 |
0.000 |
0 |
0 |
0 |
0.146 |
17 |
|
[K]A:504 |
1 |
1 |
216 |
◊ |
B |
x,y,z |
1_555 |
9 |
3 |
17382 |
76.1 |
-45.6 |
0.000 |
0 |
0 |
0 |
0.146 |
Average: |
76.3 |
-45.5 |
0.000 |
0 |
0 |
0 |
0.146 |
13 |
18 |
|
[SO4]A:508 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
11 |
5 |
17278 |
76.3 |
-11.4 |
0.592 |
2 |
0 |
0 |
0.020 |
14 |
19 |
|
[SO4]B:508 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
11 |
5 |
17382 |
76.2 |
-11.2 |
0.590 |
2 |
0 |
0 |
0.019 |
15 |
20 |
|
[CL]B:501 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
14 |
7 |
17382 |
75.8 |
-10.8 |
0.000 |
0 |
0 |
0 |
0.034 |
21 |
|
[CL]A:501 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
17 |
7 |
17278 |
72.8 |
-10.6 |
0.000 |
0 |
0 |
0 |
0.034 |
Average: |
74.3 |
-10.7 |
0.000 |
0 |
0 |
0 |
0.034 |
16 |
22 |
|
[SO4]A:507 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
11 |
7 |
17278 |
72.6 |
-9.8 |
0.802 |
3 |
0 |
0 |
0.018 |
17 |
23 |
|
[SO4]B:504 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
13 |
9 |
17382 |
72.3 |
-9.7 |
0.783 |
3 |
0 |
0 |
0.018 |
18 |
24 |
|
[SO4]B:505 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
10 |
4 |
17382 |
70.8 |
-10.2 |
0.555 |
1 |
0 |
0 |
0.017 |
19 |
25 |
|
[SO4]A:511 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
11 |
4 |
17278 |
70.3 |
-10.0 |
0.548 |
1 |
0 |
0 |
0.017 |
20 |
26 |
|
[SO4]A:513 |
5 |
1 |
185 |
f |
[MAL]A:506 |
x,y,z |
1_555 |
7 |
1 |
458 |
63.4 |
-7.1 |
0.627 |
0 |
0 |
0 |
0.011 |
21 |
27 |
|
[SO4]B:509 |
4 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
6 |
2 |
17382 |
56.6 |
-6.8 |
0.863 |
1 |
0 |
0 |
0.012 |
22 |
28 |
|
[SO4]A:512 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
6 |
3 |
17278 |
53.2 |
-6.5 |
0.802 |
1 |
0 |
0 |
0.000 |
23 |
29 |
|
[CL]A:502 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
6 |
3 |
17278 |
43.6 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.008 |
24 |
30 |
|
B |
3 |
2 |
17382 |
◊ |
[SO4]A:510 |
-y,x-y-1,z-1/3 |
3_544 |
4 |
1 |
185 |
34.1 |
-3.3 |
0.892 |
1 |
0 |
0 |
0.000 |
25 |
31 |
|
[SO4]B:508 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
4 |
2 |
17278 |
30.6 |
-2.9 |
0.886 |
0 |
0 |
0 |
0.005 |
26 |
32 |
|
[SO4]A:513 |
3 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
6 |
4 |
17278 |
29.2 |
-3.5 |
0.774 |
0 |
0 |
0 |
0.006 |
27 |
33 |
|
[SO4]A:508 |
4 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
6 |
2 |
17382 |
27.2 |
-2.7 |
0.850 |
0 |
0 |
0 |
0.004 |
28 |
34 |
|
B |
2 |
2 |
17382 |
◊ |
A |
x-y,x,z-1/6 |
2_554 |
2 |
1 |
17278 |
22.1 |
0.4 |
0.408 |
0 |
0 |
0 |
0.000 |
29 |
35 |
|
B |
1 |
1 |
17382 |
◊ |
[SO4]A:511 |
x-y,x,z-1/6 |
2_554 |
1 |
1 |
185 |
16.4 |
-1.4 |
0.875 |
1 |
0 |
0 |
0.000 |
30 |
36 |
|
B |
2 |
1 |
17382 |
◊ |
[CL]A:501 |
-y,x-y-1,z-1/3 |
3_544 |
1 |
1 |
125 |
4.1 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.000 |
31 |
37 |
|
B |
1 |
1 |
17382 |
◊ |
[SO4]A:509 |
-y,x-y-1,z-1/3 |
3_544 |
1 |
1 |
185 |
0.4 |
-0.0 |
0.815 |
0 |
0 |
0 |
0.000 |
|