## |
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 |
245 |
71 |
20307 |
◊ |
C |
x,y,z |
1_555 |
253 |
72 |
20097 |
2477.1 |
-21.0 |
0.101 |
38 |
9 |
0 |
0.216 |
2 |
|
B |
246 |
70 |
20093 |
◊ |
A |
x,y,z |
1_555 |
245 |
69 |
20239 |
2461.2 |
-20.5 |
0.111 |
43 |
11 |
0 |
0.216 |
Average: |
2469.1 |
-20.8 |
0.106 |
41 |
10 |
0 |
0.216 |
2 |
3 |
|
D |
125 |
28 |
20307 |
◊ |
B |
x,y,z |
1_555 |
125 |
28 |
20093 |
1161.8 |
-3.4 |
0.582 |
12 |
10 |
0 |
0.065 |
4 |
|
C |
120 |
28 |
20097 |
◊ |
A |
x,y,z |
1_555 |
129 |
28 |
20239 |
1156.4 |
-1.7 |
0.682 |
13 |
13 |
0 |
0.065 |
Average: |
1159.1 |
-2.6 |
0.632 |
13 |
12 |
0 |
0.065 |
3 |
5 |
|
C |
112 |
34 |
20097 |
◊ |
B |
x,y,z |
1_555 |
116 |
34 |
20093 |
1042.8 |
-5.8 |
0.412 |
12 |
0 |
0 |
0.043 |
6 |
|
D |
118 |
35 |
20307 |
◊ |
A |
x,y,z |
1_555 |
116 |
36 |
20239 |
1020.3 |
-5.2 |
0.440 |
10 |
0 |
0 |
0.043 |
Average: |
1031.5 |
-5.5 |
0.426 |
11 |
0 |
0 |
0.043 |
4 |
7 |
|
B |
61 |
16 |
20093 |
◊ |
D |
-x+1/2,y-1/2,-z+1 |
4_546 |
54 |
16 |
20307 |
514.6 |
-8.2 |
0.081 |
4 |
0 |
0 |
0.000 |
5 |
8 |
|
C |
53 |
15 |
20097 |
◊ |
C |
-x+1,y,-z+2 |
2_657 |
53 |
15 |
20097 |
471.9 |
-3.3 |
0.414 |
6 |
0 |
0 |
0.022 |
6 |
9 |
|
C |
38 |
8 |
20097 |
◊ |
A |
-x+1,y,-z+1 |
2_656 |
31 |
9 |
20239 |
289.2 |
-3.0 |
0.332 |
3 |
0 |
0 |
0.032 |
7 |
10 |
|
A |
22 |
7 |
20239 |
◊ |
C |
x,y,z-1 |
1_554 |
27 |
9 |
20097 |
183.7 |
-1.0 |
0.467 |
0 |
1 |
0 |
0.009 |
8 |
11 |
|
[GOL]D:5 |
6 |
1 |
222 |
f |
D |
x,y,z |
1_555 |
28 |
14 |
20307 |
155.0 |
-1.0 |
0.460 |
5 |
0 |
0 |
0.019 |
9 |
12 |
|
[GOL]A:7 |
6 |
1 |
217 |
f |
A |
x,y,z |
1_555 |
28 |
14 |
20239 |
149.0 |
-0.7 |
0.487 |
3 |
0 |
0 |
0.020 |
13 |
|
[GOL]B:10 |
6 |
1 |
218 |
f |
B |
x,y,z |
1_555 |
29 |
14 |
20093 |
148.3 |
-0.8 |
0.461 |
3 |
0 |
0 |
0.020 |
Average: |
148.7 |
-0.8 |
0.474 |
3 |
0 |
0 |
0.020 |
10 |
14 |
|
[GOL]C:8 |
6 |
1 |
217 |
f |
C |
x,y,z |
1_555 |
29 |
14 |
20097 |
148.7 |
-0.8 |
0.545 |
3 |
0 |
0 |
0.016 |
11 |
15 |
|
[SO4]A:4 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
11 |
6 |
20239 |
80.3 |
-10.7 |
0.887 |
2 |
0 |
0 |
0.087 |
12 |
16 |
|
[SO4]C:6 |
5 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
11 |
6 |
20307 |
79.8 |
-11.5 |
0.573 |
2 |
0 |
0 |
0.072 |
13 |
17 |
|
[SO4]A:6 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
10 |
4 |
20239 |
79.1 |
-11.6 |
0.634 |
2 |
0 |
0 |
0.093 |
14 |
18 |
|
[SO4]A:5 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
11 |
5 |
20093 |
78.8 |
-11.3 |
0.636 |
1 |
0 |
0 |
0.068 |
15 |
19 |
|
[SO4]D:4 |
5 |
1 |
184 |
◊ |
C |
x,y,z |
1_555 |
14 |
6 |
20097 |
78.4 |
-11.0 |
0.618 |
1 |
0 |
0 |
0.063 |
16 |
20 |
|
[SO4]A:5 |
5 |
1 |
186 |
◊ |
A |
x,y,z |
1_555 |
13 |
6 |
20239 |
77.5 |
-10.5 |
0.682 |
1 |
0 |
0 |
0.052 |
17 |
21 |
|
[SO4]B:9 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
11 |
5 |
20093 |
77.4 |
-9.8 |
0.871 |
3 |
0 |
0 |
0.065 |
18 |
22 |
|
[SO4]D:4 |
5 |
1 |
184 |
f |
D |
x,y,z |
1_555 |
11 |
5 |
20307 |
76.9 |
-10.8 |
0.708 |
2 |
0 |
0 |
0.068 |
19 |
23 |
|
[SO4]A:6 |
5 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
13 |
6 |
20093 |
75.8 |
-10.3 |
0.740 |
2 |
0 |
0 |
0.054 |
20 |
24 |
|
[SO4]C:6 |
4 |
1 |
185 |
◊ |
C |
x,y,z |
1_555 |
9 |
4 |
20097 |
75.7 |
-10.7 |
0.663 |
2 |
0 |
0 |
0.064 |
21 |
25 |
|
[SO4]D:3 |
5 |
1 |
187 |
f |
D |
x,y,z |
1_555 |
11 |
5 |
20307 |
75.5 |
-10.1 |
0.883 |
2 |
0 |
0 |
0.064 |
22 |
26 |
|
[SO4]B:6 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
8 |
3 |
20093 |
74.7 |
-8.6 |
0.957 |
4 |
0 |
0 |
0.060 |
23 |
27 |
|
[SO4]B:7 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
10 |
5 |
20093 |
74.3 |
-7.5 |
0.952 |
1 |
0 |
0 |
0.046 |
24 |
28 |
|
[SO4]C:5 |
5 |
1 |
187 |
f |
C |
x,y,z |
1_555 |
10 |
5 |
20097 |
73.8 |
-9.1 |
0.930 |
3 |
0 |
0 |
0.078 |
25 |
29 |
|
[SO4]D:2 |
4 |
1 |
183 |
f |
D |
x,y,z |
1_555 |
9 |
3 |
20307 |
71.5 |
-8.6 |
0.945 |
3 |
0 |
0 |
0.057 |
26 |
30 |
|
[SO4]C:3 |
4 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
7 |
3 |
20097 |
71.3 |
-8.5 |
0.960 |
4 |
0 |
0 |
0.077 |
27 |
31 |
|
[SO4]B:8 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
9 |
4 |
20239 |
70.9 |
-6.8 |
0.964 |
2 |
0 |
0 |
0.058 |
28 |
32 |
|
[SO4]A:3 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
8 |
3 |
20239 |
69.6 |
-8.3 |
0.951 |
4 |
0 |
0 |
0.076 |
29 |
33 |
|
[SO4]C:7 |
5 |
1 |
185 |
◊ |
C |
x,y,z |
1_555 |
10 |
3 |
20097 |
67.6 |
-7.3 |
0.958 |
3 |
0 |
0 |
0.065 |
30 |
34 |
|
[SO4]B:4 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
10 |
3 |
20093 |
67.4 |
-9.4 |
0.685 |
0 |
0 |
0 |
0.054 |
31 |
35 |
|
[SO4]B:3 |
4 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
10 |
3 |
20307 |
66.8 |
-9.0 |
0.748 |
0 |
0 |
0 |
0.052 |
32 |
36 |
|
[SO4]A:2 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
8 |
4 |
20239 |
66.4 |
-8.3 |
0.862 |
2 |
0 |
0 |
0.069 |
33 |
37 |
|
[SO4]C:1 |
5 |
1 |
187 |
f |
C |
x,y,z |
1_555 |
9 |
4 |
20097 |
65.5 |
-8.3 |
0.835 |
2 |
0 |
0 |
0.069 |
34 |
38 |
|
[SO4]D:1 |
4 |
1 |
186 |
f |
D |
x,y,z |
1_555 |
9 |
4 |
20307 |
65.3 |
-8.1 |
0.857 |
2 |
0 |
0 |
0.052 |
35 |
39 |
|
[SO4]B:5 |
5 |
1 |
187 |
f |
B |
x,y,z |
1_555 |
9 |
4 |
20093 |
63.8 |
-7.9 |
0.861 |
2 |
0 |
0 |
0.051 |
36 |
40 |
|
[SO4]A:1 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
10 |
3 |
20239 |
63.7 |
-7.9 |
0.870 |
1 |
0 |
0 |
0.062 |
37 |
41 |
|
[SO4]C:2 |
4 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
9 |
3 |
20097 |
63.0 |
-8.5 |
0.700 |
0 |
0 |
0 |
0.064 |
38 |
42 |
|
[SO4]C:4 |
5 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
8 |
4 |
20307 |
56.0 |
-5.1 |
0.958 |
1 |
0 |
0 |
0.032 |
39 |
43 |
|
[SO4]C:7 |
4 |
1 |
185 |
f |
A |
-x+1,y,-z+1 |
2_656 |
9 |
4 |
20239 |
55.5 |
-7.7 |
0.735 |
3 |
0 |
0 |
0.067 |
40 |
44 |
|
[SO4]B:8 |
4 |
1 |
186 |
◊ |
B |
x,y,z |
1_555 |
6 |
3 |
20093 |
46.2 |
-5.6 |
0.842 |
0 |
0 |
0 |
0.027 |
41 |
45 |
|
[SO4]C:3 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
6 |
2 |
20239 |
44.3 |
-5.1 |
0.845 |
1 |
0 |
0 |
0.038 |
42 |
46 |
|
[SO4]A:3 |
4 |
1 |
185 |
◊ |
C |
x,y,z |
1_555 |
7 |
3 |
20097 |
44.0 |
-5.6 |
0.645 |
1 |
0 |
0 |
0.041 |
43 |
47 |
|
[SO4]B:3 |
3 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
20093 |
43.1 |
-4.3 |
0.975 |
2 |
0 |
0 |
0.030 |
44 |
48 |
|
[SO4]B:7 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
7 |
2 |
20239 |
42.6 |
-5.4 |
0.790 |
2 |
0 |
0 |
0.030 |
45 |
49 |
|
[SO4]B:6 |
4 |
1 |
185 |
◊ |
D |
x,y,z |
1_555 |
6 |
2 |
20307 |
42.3 |
-4.9 |
0.837 |
0 |
0 |
0 |
0.028 |
46 |
50 |
|
[SO4]B:4 |
4 |
1 |
185 |
◊ |
D |
x,y,z |
1_555 |
2 |
1 |
20307 |
41.2 |
-3.8 |
0.986 |
2 |
0 |
0 |
0.027 |
47 |
51 |
|
[SO4]D:2 |
4 |
1 |
183 |
◊ |
B |
x,y,z |
1_555 |
6 |
2 |
20093 |
40.8 |
-5.0 |
0.702 |
0 |
0 |
0 |
0.029 |
48 |
52 |
|
[SO4]C:4 |
5 |
1 |
185 |
◊ |
C |
x,y,z |
1_555 |
4 |
2 |
20097 |
39.1 |
-4.6 |
0.832 |
1 |
0 |
0 |
0.028 |
49 |
53 |
|
[SO4]C:2 |
4 |
1 |
186 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
20239 |
37.2 |
-3.2 |
0.983 |
2 |
0 |
0 |
0.028 |
50 |
54 |
|
[SO4]A:1 |
4 |
1 |
185 |
◊ |
C |
x,y,z |
1_555 |
3 |
1 |
20097 |
36.9 |
-3.4 |
0.977 |
2 |
0 |
0 |
0.029 |
51 |
55 |
|
[SO4]A:4 |
4 |
1 |
185 |
◊ |
C |
x,y,z-1 |
1_554 |
5 |
3 |
20097 |
35.8 |
-4.4 |
0.762 |
0 |
0 |
0 |
0.033 |
52 |
56 |
|
[SO4]B:7 |
3 |
1 |
185 |
◊ |
D |
x,y,z |
1_555 |
3 |
3 |
20307 |
24.8 |
-2.4 |
0.956 |
0 |
0 |
0 |
0.014 |
53 |
57 |
|
[SO4]B:8 |
4 |
1 |
186 |
◊ |
C |
x,y,z |
1_555 |
2 |
2 |
20097 |
22.8 |
-2.2 |
0.967 |
0 |
0 |
0 |
0.015 |
54 |
58 |
|
[SO4]C:4 |
3 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
3 |
3 |
20093 |
20.3 |
-1.8 |
0.939 |
0 |
0 |
0 |
0.011 |
55 |
59 |
|
[SO4]C:5 |
3 |
1 |
187 |
◊ |
A |
-x+1,y,-z+1 |
2_656 |
2 |
1 |
20239 |
12.8 |
-1.0 |
0.955 |
0 |
0 |
0 |
0.007 |
56 |
60 |
|
[SO4]C:2 |
1 |
1 |
186 |
◊ |
D |
x,y,z |
1_555 |
1 |
1 |
20307 |
11.7 |
-1.3 |
0.827 |
0 |
0 |
0 |
0.007 |
57 |
61 |
|
[SO4]B:6 |
1 |
1 |
185 |
◊ |
[SO4]B:3 |
x,y,z |
1_555 |
1 |
1 |
185 |
11.0 |
-2.6 |
0.800 |
0 |
0 |
0 |
0.015 |
58 |
62 |
|
[SO4]D:2 |
2 |
1 |
183 |
◊ |
[SO4]B:4 |
x,y,z |
1_555 |
1 |
1 |
185 |
10.1 |
-2.4 |
0.876 |
0 |
0 |
0 |
0.014 |
59 |
63 |
|
[SO4]A:1 |
3 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
20093 |
9.9 |
-0.9 |
0.916 |
0 |
0 |
0 |
0.005 |
60 |
64 |
|
[SO4]B:4 |
1 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
20239 |
9.7 |
-1.1 |
0.822 |
0 |
0 |
0 |
0.005 |
61 |
65 |
|
[SO4]C:3 |
1 |
1 |
184 |
◊ |
[SO4]A:1 |
x,y,z |
1_555 |
1 |
1 |
185 |
8.8 |
-2.1 |
0.800 |
0 |
0 |
0 |
0.015 |
62 |
66 |
|
[SO4]B:3 |
1 |
1 |
185 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
20097 |
6.9 |
-0.7 |
0.807 |
0 |
0 |
0 |
0.004 |
63 |
67 |
|
[SO4]D:2 |
1 |
1 |
183 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
20239 |
6.1 |
-0.9 |
0.591 |
0 |
0 |
0 |
0.002 |
64 |
68 |
|
[SO4]B:6 |
1 |
1 |
185 |
◊ |
C |
x,y,z |
1_555 |
2 |
1 |
20097 |
5.4 |
-0.7 |
0.599 |
0 |
0 |
0 |
0.001 |
65 |
69 |
|
[SO4]C:2 |
1 |
1 |
186 |
◊ |
[SO4]A:3 |
x,y,z |
1_555 |
1 |
1 |
185 |
4.1 |
-1.0 |
1.000 |
0 |
0 |
0 |
0.007 |
66 |
70 |
|
[SO4]A:3 |
1 |
1 |
185 |
◊ |
D |
x,y,z |
1_555 |
1 |
1 |
20307 |
0.8 |
-0.1 |
0.860 |
0 |
0 |
0 |
0.000 |
|