| ## |
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 |
54 |
17 |
27022 |
◊ |
A |
x,y,z |
1_555 |
53 |
19 |
27068 |
536.7 |
-7.0 |
0.077 |
4 |
0 |
0 |
0.000 |
2 |
|
B |
56 |
19 |
27022 |
◊ |
A |
x-1,y,z |
1_455 |
53 |
17 |
27068 |
527.3 |
-5.8 |
0.131 |
5 |
1 |
0 |
0.000 |
| Average: |
532.0 |
-6.4 |
0.104 |
5 |
1 |
0 |
0.000 |
| 2 |
3 |
|
A |
41 |
16 |
27068 |
◊ |
B |
-x,y-1/2,-z |
2_545 |
39 |
14 |
27022 |
397.8 |
-1.8 |
0.405 |
9 |
0 |
0 |
0.000 |
4 |
|
A |
38 |
12 |
27068 |
◊ |
B |
-x,y-1/2,-z+1 |
2_546 |
41 |
14 |
27022 |
392.5 |
-1.4 |
0.456 |
8 |
1 |
0 |
0.000 |
| Average: |
395.2 |
-1.6 |
0.430 |
9 |
1 |
0 |
0.000 |
| 3 |
5 |
|
A |
40 |
12 |
27068 |
x |
A |
x,y,z-1 |
1_554 |
40 |
14 |
27068 |
354.4 |
1.0 |
0.713 |
4 |
2 |
0 |
0.000 |
6 |
|
B |
38 |
13 |
27022 |
x |
B |
x,y,z-1 |
1_554 |
33 |
10 |
27022 |
335.1 |
1.3 |
0.740 |
4 |
3 |
0 |
0.000 |
| Average: |
344.8 |
1.1 |
0.726 |
4 |
3 |
0 |
0.000 |
| 4 |
7 |
|
B |
34 |
12 |
27022 |
x |
B |
x-1,y,z |
1_455 |
38 |
14 |
27022 |
325.6 |
1.3 |
0.669 |
3 |
0 |
0 |
0.000 |
8 |
|
A |
36 |
12 |
27068 |
x |
A |
x-1,y,z |
1_455 |
35 |
13 |
27068 |
301.9 |
2.0 |
0.775 |
5 |
0 |
0 |
0.000 |
| Average: |
313.8 |
1.7 |
0.722 |
4 |
0 |
0 |
0.000 |
| 5 |
9 |
|
[TRS]B:810 |
7 |
1 |
256 |
f |
B |
x,y,z |
1_555 |
24 |
12 |
27022 |
179.1 |
4.1 |
0.336 |
4 |
0 |
0 |
0.000 |
10 |
|
[TRS]A:811 |
7 |
1 |
255 |
f |
A |
x,y,z |
1_555 |
25 |
12 |
27068 |
178.5 |
4.0 |
0.290 |
5 |
0 |
0 |
0.000 |
| Average: |
178.8 |
4.1 |
0.313 |
5 |
0 |
0 |
0.000 |
| 6 |
11 |
|
[SO4]A:805 |
5 |
1 |
187 |
f |
A |
x,y,z |
1_555 |
16 |
7 |
27068 |
109.8 |
-13.3 |
0.879 |
3 |
0 |
0 |
0.013 |
| 7 |
12 |
|
[SO4]B:806 |
5 |
1 |
188 |
f |
B |
x,y,z |
1_555 |
16 |
7 |
27022 |
108.2 |
-13.4 |
0.880 |
3 |
0 |
0 |
0.014 |
| 8 |
13 |
|
[SO4]B:807 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
15 |
6 |
27022 |
102.7 |
-13.0 |
0.832 |
2 |
0 |
0 |
0.013 |
| 9 |
14 |
|
[SO4]A:804 |
5 |
1 |
188 |
f |
A |
x,y,z |
1_555 |
15 |
8 |
27068 |
102.2 |
-16.4 |
0.740 |
4 |
0 |
0 |
0.016 |
| 10 |
15 |
|
[SO4]A:807 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
15 |
6 |
27068 |
101.9 |
-12.2 |
0.925 |
1 |
0 |
0 |
0.011 |
| 11 |
16 |
|
[SO4]B:803 |
5 |
1 |
187 |
f |
B |
x,y,z |
1_555 |
16 |
8 |
27022 |
99.7 |
-16.4 |
0.799 |
5 |
0 |
0 |
0.018 |
| 12 |
17 |
|
[GOL]A:810 |
6 |
1 |
223 |
◊ |
A |
x,y,z |
1_555 |
10 |
5 |
27068 |
86.9 |
1.7 |
0.805 |
4 |
0 |
0 |
0.000 |
18 |
|
[GOL]B:809 |
6 |
1 |
224 |
◊ |
B |
x,y,z |
1_555 |
10 |
5 |
27022 |
86.6 |
1.7 |
0.774 |
4 |
0 |
0 |
0.000 |
| Average: |
86.7 |
1.7 |
0.789 |
4 |
0 |
0 |
0.000 |
| 13 |
19 |
|
[SO4]A:803 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
12 |
7 |
27068 |
81.1 |
-11.8 |
0.769 |
2 |
0 |
0 |
0.011 |
| 14 |
20 |
|
[SO4]B:804 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
12 |
7 |
27022 |
80.9 |
-11.7 |
0.773 |
2 |
0 |
0 |
0.012 |
| 15 |
21 |
|
[CL]A:809 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
12 |
7 |
27068 |
79.0 |
-11.8 |
0.000 |
0 |
0 |
0 |
0.011 |
22 |
|
[CL]B:808 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
12 |
7 |
27022 |
78.5 |
-11.8 |
0.000 |
0 |
0 |
0 |
0.011 |
| Average: |
78.7 |
-11.8 |
0.000 |
0 |
0 |
0 |
0.011 |
| 16 |
23 |
|
[SO4]A:801 |
4 |
1 |
187 |
f |
A |
x,y,z |
1_555 |
13 |
5 |
27068 |
76.6 |
-11.9 |
0.603 |
2 |
0 |
0 |
0.012 |
| 17 |
24 |
|
[GOL]B:809 |
6 |
1 |
224 |
f |
B |
x-1,y,z |
1_455 |
9 |
7 |
27022 |
76.5 |
-0.2 |
0.529 |
2 |
0 |
0 |
0.001 |
25 |
|
[GOL]A:810 |
6 |
1 |
223 |
f |
A |
x-1,y,z |
1_455 |
9 |
7 |
27068 |
75.1 |
-0.0 |
0.564 |
3 |
0 |
0 |
0.001 |
| Average: |
75.8 |
-0.1 |
0.546 |
3 |
0 |
0 |
0.001 |
| 18 |
26 |
|
[SO4]B:801 |
4 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
13 |
5 |
27022 |
76.0 |
-11.8 |
0.607 |
2 |
0 |
0 |
0.012 |
| 19 |
27 |
|
[SO4]A:806 |
5 |
1 |
187 |
f |
A |
x,y,z |
1_555 |
11 |
5 |
27068 |
75.2 |
-9.5 |
0.930 |
3 |
0 |
0 |
0.010 |
| 20 |
28 |
|
[SO4]B:802 |
4 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
9 |
3 |
27022 |
71.7 |
-9.0 |
0.893 |
3 |
0 |
0 |
0.010 |
| 21 |
29 |
|
[SO4]A:802 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
8 |
3 |
27068 |
67.6 |
-8.3 |
0.899 |
2 |
0 |
0 |
0.008 |
| 22 |
30 |
|
[SO4]B:805 |
5 |
1 |
187 |
f |
B |
x,y,z |
1_555 |
7 |
4 |
27022 |
60.6 |
-7.6 |
0.679 |
3 |
0 |
0 |
0.009 |
| 23 |
31 |
|
B |
7 |
2 |
27022 |
◊ |
A |
x-1,y,z+1 |
1_456 |
8 |
2 |
27068 |
52.6 |
-0.4 |
0.458 |
0 |
0 |
0 |
0.000 |
32 |
|
A |
7 |
2 |
27068 |
◊ |
B |
x,y,z-1 |
1_554 |
8 |
2 |
27022 |
52.3 |
-0.4 |
0.463 |
0 |
0 |
0 |
0.000 |
| Average: |
52.5 |
-0.4 |
0.461 |
0 |
0 |
0 |
0.000 |
| 24 |
33 |
|
[CL]A:808 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
5 |
2 |
27068 |
44.5 |
-5.6 |
0.000 |
0 |
0 |
0 |
0.005 |
| 25 |
34 |
|
A |
2 |
1 |
27068 |
◊ |
[SO4]B:805 |
-x+1,y-1/2,-z+1 |
2_646 |
1 |
1 |
187 |
21.3 |
-3.0 |
0.360 |
0 |
0 |
0 |
0.000 |
| 26 |
35 |
|
[SO4]A:803 |
1 |
1 |
186 |
f |
[SO4]A:802 |
x,y,z |
1_555 |
1 |
1 |
186 |
11.5 |
-2.8 |
0.800 |
0 |
0 |
0 |
0.002 |
| 27 |
36 |
|
[CL]A:808 |
1 |
1 |
125 |
◊ |
B |
-x+1,y-1/2,-z |
2_645 |
1 |
1 |
27022 |
9.6 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.000 |
| 28 |
37 |
|
[SO4]B:804 |
1 |
1 |
185 |
f |
[SO4]B:802 |
x,y,z |
1_555 |
1 |
1 |
186 |
8.9 |
-2.1 |
0.800 |
0 |
0 |
0 |
0.002 |
| 29 |
38 |
|
A |
2 |
1 |
27068 |
◊ |
B |
-x+1,y-1/2,-z+1 |
2_646 |
2 |
2 |
27022 |
1.8 |
0.1 |
0.690 |
0 |
0 |
0 |
0.000 |
|