## |
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 |
|
I |
63 |
15 |
3966 |
◊ |
B |
x,y,z |
1_555 |
95 |
31 |
9724 |
701.1 |
-7.1 |
0.181 |
13 |
1 |
0 |
0.070 |
2 |
|
C |
63 |
16 |
4025 |
◊ |
A |
x,y,z |
1_555 |
90 |
29 |
9766 |
689.9 |
-6.7 |
0.203 |
13 |
1 |
0 |
0.070 |
Average: |
695.5 |
-6.9 |
0.192 |
13 |
1 |
0 |
0.070 |
2 |
3 |
|
B |
65 |
20 |
9724 |
◊ |
B |
x,-y,-z |
4_555 |
65 |
20 |
9724 |
678.5 |
-3.2 |
0.359 |
2 |
0 |
0 |
0.014 |
3 |
4 |
|
B |
47 |
18 |
9724 |
◊ |
A |
x,y,z |
1_555 |
42 |
13 |
9766 |
466.1 |
-2.0 |
0.397 |
7 |
0 |
0 |
0.019 |
4 |
5 |
|
I |
35 |
14 |
3966 |
◊ |
C |
-x+1/2,-y-1/2,z-1/2 |
6_544 |
38 |
14 |
4025 |
404.5 |
-2.5 |
0.393 |
10 |
0 |
0 |
0.020 |
5 |
6 |
|
I |
40 |
11 |
3966 |
◊ |
B |
-x,y,-z-1/2 |
3_554 |
39 |
13 |
9724 |
367.9 |
-1.1 |
0.475 |
6 |
0 |
0 |
0.020 |
7 |
|
C |
36 |
11 |
4025 |
◊ |
A |
-x+1,y,-z+1/2 |
3_655 |
33 |
12 |
9766 |
352.5 |
2.2 |
0.739 |
5 |
0 |
0 |
0.020 |
Average: |
360.2 |
0.5 |
0.607 |
6 |
0 |
0 |
0.020 |
6 |
8 |
|
B |
43 |
14 |
9724 |
◊ |
A |
-x,y,-z+1/2 |
3_555 |
35 |
9 |
9766 |
354.8 |
-3.6 |
0.160 |
1 |
0 |
0 |
0.016 |
7 |
9 |
|
I |
35 |
11 |
3966 |
◊ |
A |
-x+1/2,-y-1/2,z-1/2 |
6_544 |
37 |
10 |
9766 |
340.8 |
0.9 |
0.638 |
5 |
8 |
0 |
0.015 |
10 |
|
B |
29 |
8 |
9724 |
◊ |
C |
-x+1/2,-y-1/2,z-1/2 |
6_544 |
27 |
7 |
4025 |
257.2 |
-0.3 |
0.550 |
4 |
6 |
0 |
0.015 |
Average: |
299.0 |
0.3 |
0.594 |
5 |
7 |
0 |
0.015 |
8 |
11 |
|
B |
23 |
7 |
9724 |
◊ |
A |
x-1/2,-y-1/2,-z |
8_445 |
21 |
8 |
9766 |
159.3 |
-3.5 |
0.134 |
0 |
0 |
0 |
0.009 |
9 |
12 |
|
[SO4]C:60 |
5 |
1 |
187 |
f |
C |
x,y,z |
1_555 |
17 |
5 |
4025 |
105.2 |
-15.0 |
0.721 |
4 |
0 |
0 |
0.093 |
10 |
13 |
|
[SO4]I:59 |
5 |
1 |
185 |
f |
I |
x,y,z |
1_555 |
19 |
5 |
3966 |
105.0 |
-15.6 |
0.675 |
3 |
0 |
0 |
0.098 |
11 |
14 |
|
[SO4]B:249 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
16 |
5 |
9724 |
102.8 |
-13.5 |
0.806 |
1 |
0 |
0 |
0.094 |
12 |
15 |
|
[SO4]B:250 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
14 |
5 |
9724 |
102.4 |
-14.1 |
0.824 |
1 |
0 |
0 |
0.098 |
13 |
16 |
|
[SO4]A:249 |
5 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
17 |
6 |
9766 |
98.5 |
-14.4 |
0.643 |
0 |
0 |
0 |
0.083 |
14 |
17 |
|
[SO4]B:4 |
5 |
1 |
187 |
f |
B |
x,y,z |
1_555 |
14 |
6 |
9724 |
87.2 |
-13.3 |
0.588 |
3 |
0 |
0 |
0.099 |
15 |
18 |
|
[SO4]C:59 |
5 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
12 |
8 |
4025 |
82.2 |
-11.5 |
0.806 |
3 |
0 |
0 |
0.071 |
16 |
19 |
|
[SO4]I:61 |
5 |
1 |
186 |
f |
B |
-x,y,-z-1/2 |
3_554 |
12 |
5 |
9724 |
82.1 |
-11.8 |
0.794 |
3 |
0 |
0 |
0.089 |
17 |
20 |
|
[SO4]I:60 |
5 |
1 |
186 |
f |
I |
x,y,z |
1_555 |
13 |
8 |
3966 |
81.6 |
-11.2 |
0.797 |
3 |
0 |
0 |
0.073 |
18 |
21 |
|
[SO4]B:5 |
5 |
1 |
187 |
f |
A |
-x,y,-z+1/2 |
3_555 |
11 |
6 |
9766 |
81.0 |
-10.6 |
0.868 |
3 |
0 |
0 |
0.069 |
19 |
22 |
|
[SO4]A:14 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
10 |
5 |
9766 |
79.0 |
-9.9 |
0.840 |
3 |
0 |
0 |
0.065 |
20 |
23 |
|
[SO4]I:63 |
5 |
1 |
186 |
f |
A |
-x+1/2,-y-1/2,z-1/2 |
6_544 |
17 |
8 |
9766 |
79.0 |
-9.9 |
0.603 |
0 |
0 |
0 |
0.057 |
21 |
24 |
|
[SO4]I:62 |
5 |
1 |
186 |
f |
I |
x,y,z |
1_555 |
12 |
4 |
3966 |
74.9 |
-10.8 |
0.689 |
2 |
0 |
0 |
0.068 |
22 |
25 |
|
[SO4]A:247 |
4 |
1 |
187 |
f |
A |
x,y,z |
1_555 |
10 |
6 |
9766 |
73.7 |
-9.6 |
0.876 |
3 |
0 |
0 |
0.063 |
23 |
26 |
|
A |
10 |
6 |
9766 |
◊ |
C |
-x+1/2,-y-1/2,z-1/2 |
6_544 |
7 |
4 |
4025 |
71.2 |
-1.1 |
0.320 |
0 |
0 |
0 |
0.000 |
24 |
27 |
|
[SO4]A:248 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
9 |
3 |
9766 |
70.0 |
-9.7 |
0.636 |
2 |
0 |
0 |
0.061 |
25 |
28 |
|
[SO4]A:10 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
10 |
4 |
9766 |
69.1 |
-9.3 |
0.682 |
2 |
0 |
0 |
0.059 |
26 |
29 |
|
[SO4]B:15 |
5 |
1 |
179 |
f |
B |
x,y,z |
1_555 |
11 |
4 |
9724 |
68.5 |
-7.4 |
0.591 |
0 |
0 |
0 |
0.050 |
27 |
30 |
|
[SO4]B:7 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
12 |
4 |
9724 |
66.9 |
-8.9 |
0.775 |
2 |
0 |
0 |
0.066 |
28 |
31 |
|
[SO4]A:6 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
12 |
4 |
9766 |
66.7 |
-9.5 |
0.700 |
2 |
0 |
0 |
0.060 |
29 |
32 |
|
[SO4]A:12 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
11 |
5 |
9766 |
66.0 |
-9.1 |
0.674 |
2 |
0 |
0 |
0.058 |
30 |
33 |
|
[SO4]B:248 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
9 |
5 |
9724 |
65.5 |
-8.8 |
0.728 |
3 |
0 |
0 |
0.069 |
31 |
34 |
|
[SO4]B:248 |
5 |
1 |
185 |
◊ |
B |
x,-y,-z |
4_555 |
9 |
4 |
9724 |
64.1 |
-8.5 |
0.683 |
2 |
0 |
0 |
0.064 |
32 |
35 |
|
[SO4]B:11 |
5 |
1 |
187 |
f |
B |
x,y,z |
1_555 |
7 |
5 |
9724 |
63.6 |
-7.4 |
0.919 |
4 |
0 |
0 |
0.062 |
33 |
36 |
|
[SO4]I:63 |
5 |
1 |
186 |
◊ |
I |
x,y,z |
1_555 |
8 |
5 |
3966 |
61.1 |
-7.7 |
0.785 |
1 |
0 |
0 |
0.047 |
34 |
37 |
|
[SO4]B:247 |
5 |
1 |
181 |
f |
B |
x,y,z |
1_555 |
8 |
4 |
9724 |
60.4 |
-7.5 |
0.808 |
3 |
0 |
0 |
0.060 |
35 |
38 |
|
[SO4]A:249 |
5 |
1 |
183 |
◊ |
C |
x,y,z |
1_555 |
6 |
3 |
4025 |
58.0 |
-7.0 |
0.709 |
1 |
0 |
0 |
0.041 |
36 |
39 |
|
[SO4]B:5 |
5 |
1 |
187 |
◊ |
B |
x,y,z |
1_555 |
8 |
4 |
9724 |
57.9 |
-8.1 |
0.565 |
2 |
0 |
0 |
0.034 |
37 |
40 |
|
[SO4]B:249 |
4 |
1 |
185 |
◊ |
I |
x,y,z |
1_555 |
6 |
3 |
3966 |
56.9 |
-7.3 |
0.686 |
2 |
0 |
0 |
0.042 |
38 |
41 |
|
[SO4]B:11 |
5 |
1 |
187 |
◊ |
B |
x,-y,-z |
4_555 |
7 |
3 |
9724 |
55.7 |
-7.1 |
0.765 |
2 |
0 |
0 |
0.054 |
39 |
42 |
|
[SO4]I:61 |
4 |
1 |
186 |
◊ |
I |
x,y,z |
1_555 |
9 |
3 |
3966 |
54.3 |
-7.5 |
0.688 |
1 |
0 |
0 |
0.041 |
40 |
43 |
|
[SO4]B:8 |
4 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
7 |
3 |
9724 |
52.0 |
-6.4 |
0.808 |
0 |
0 |
0 |
0.044 |
41 |
44 |
|
[CA]A:1 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
5 |
4 |
9766 |
43.3 |
-12.5 |
0.000 |
0 |
0 |
0 |
0.095 |
45 |
|
[CA]B:1 |
1 |
1 |
85 |
f |
B |
x,y,z |
1_555 |
6 |
5 |
9724 |
43.2 |
-12.4 |
0.000 |
0 |
0 |
0 |
0.095 |
Average: |
43.3 |
-12.5 |
0.000 |
0 |
0 |
0 |
0.095 |
42 |
46 |
|
[SO4]B:7 |
4 |
1 |
185 |
◊ |
I |
-x,y,-z-1/2 |
3_554 |
4 |
2 |
3966 |
42.0 |
-4.4 |
0.888 |
2 |
0 |
0 |
0.028 |
43 |
47 |
|
[SO4]B:8 |
4 |
1 |
186 |
◊ |
I |
-x,y,-z-1/2 |
3_554 |
3 |
1 |
3966 |
40.5 |
-3.5 |
0.951 |
2 |
0 |
0 |
0.023 |
44 |
48 |
|
[SO4]A:247 |
4 |
1 |
187 |
f |
[SO4]A:12 |
x,y,z |
1_555 |
4 |
1 |
184 |
37.3 |
-8.3 |
0.998 |
0 |
0 |
0 |
0.048 |
45 |
49 |
|
[SO4]A:6 |
3 |
1 |
184 |
◊ |
C |
-x+1,y,-z+1/2 |
3_655 |
3 |
1 |
4025 |
37.1 |
-3.8 |
0.907 |
2 |
0 |
0 |
0.013 |
46 |
50 |
|
[SO4]B:248 |
3 |
1 |
185 |
f |
[SO4]B:11 |
x,y,z |
1_555 |
4 |
1 |
187 |
34.7 |
-7.8 |
0.995 |
0 |
0 |
0 |
0.053 |
47 |
51 |
|
[SO4]I:63 |
4 |
1 |
186 |
◊ |
C |
-x+1/2,-y-1/2,z-1/2 |
6_544 |
2 |
1 |
4025 |
34.1 |
-2.9 |
0.968 |
2 |
0 |
0 |
0.021 |
48 |
52 |
|
I |
5 |
2 |
3966 |
◊ |
C |
x-1/2,-y-1/2,-z |
8_445 |
4 |
2 |
4025 |
30.5 |
-0.4 |
0.473 |
0 |
0 |
0 |
0.001 |
49 |
53 |
|
[SO4]B:7 |
2 |
1 |
185 |
◊ |
I |
x,y,z |
1_555 |
3 |
1 |
3966 |
28.9 |
-3.4 |
0.897 |
1 |
0 |
0 |
0.020 |
50 |
54 |
|
[SO4]B:247 |
3 |
1 |
181 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
9766 |
20.6 |
-2.7 |
0.417 |
0 |
0 |
0 |
0.010 |
51 |
55 |
|
[SO4]C:59 |
4 |
1 |
185 |
◊ |
[SO4]A:14 |
x,y,z |
1_555 |
1 |
1 |
185 |
18.9 |
-4.1 |
0.894 |
0 |
0 |
0 |
0.023 |
52 |
56 |
|
[SO4]C:59 |
3 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
9766 |
17.9 |
-1.9 |
0.932 |
0 |
0 |
0 |
0.010 |
53 |
57 |
|
[SO4]I:61 |
1 |
1 |
186 |
◊ |
A |
-x+1/2,-y-1/2,z-1/2 |
6_544 |
1 |
1 |
9766 |
15.5 |
-1.6 |
0.850 |
0 |
0 |
0 |
0.004 |
54 |
58 |
|
I |
2 |
1 |
3966 |
◊ |
I |
-x,y,-z-1/2 |
3_554 |
2 |
1 |
3966 |
11.8 |
0.7 |
0.860 |
0 |
0 |
0 |
0.000 |
55 |
59 |
|
[SO4]A:6 |
1 |
1 |
184 |
◊ |
C |
x,y,z |
1_555 |
3 |
1 |
4025 |
9.6 |
-0.9 |
0.795 |
0 |
0 |
0 |
0.005 |
56 |
60 |
|
[SO4]B:7 |
1 |
1 |
185 |
◊ |
[SO4]B:7 |
-x,y,-z-1/2 |
3_554 |
1 |
1 |
185 |
9.3 |
-2.2 |
0.800 |
0 |
0 |
0 |
0.005 |
57 |
61 |
|
A |
1 |
1 |
9766 |
x |
A |
-x+1/2,-y-1/2,z-1/2 |
6_544 |
2 |
1 |
9766 |
8.5 |
-0.2 |
0.318 |
0 |
0 |
0 |
0.000 |
58 |
62 |
|
[SO4]I:59 |
1 |
1 |
185 |
◊ |
[SO4]B:8 |
-x,y,-z-1/2 |
3_554 |
1 |
1 |
186 |
6.7 |
-1.6 |
0.800 |
0 |
0 |
0 |
0.008 |
|