## |
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 |
|
C |
218 |
63 |
13215 |
◊ |
A |
x,y,z |
1_555 |
204 |
57 |
13280 |
2053.6 |
-9.6 |
0.448 |
39 |
6 |
0 |
0.336 |
2 |
|
B |
204 |
57 |
13180 |
◊ |
A |
x,y,z |
1_555 |
216 |
62 |
13280 |
2049.9 |
-8.6 |
0.509 |
39 |
6 |
0 |
0.336 |
3 |
|
C |
208 |
57 |
13215 |
◊ |
B |
x,y,z |
1_555 |
217 |
63 |
13180 |
2022.9 |
-10.5 |
0.425 |
36 |
6 |
0 |
0.336 |
Average: |
2042.1 |
-9.6 |
0.461 |
38 |
6 |
0 |
0.336 |
2 |
4 |
|
A |
54 |
16 |
13280 |
◊ |
B |
x-1/2,-y-1/2,-z |
8_445 |
47 |
15 |
13180 |
446.3 |
-1.5 |
0.592 |
3 |
3 |
0 |
0.000 |
3 |
5 |
|
B |
38 |
15 |
13180 |
◊ |
A |
x,-y,-z |
4_555 |
38 |
15 |
13280 |
390.1 |
-1.3 |
0.566 |
5 |
0 |
0 |
0.032 |
6 |
|
C |
38 |
15 |
13215 |
◊ |
C |
x,-y,-z |
4_555 |
38 |
15 |
13215 |
390.0 |
-1.3 |
0.562 |
6 |
0 |
0 |
0.032 |
Average: |
390.1 |
-1.3 |
0.564 |
6 |
0 |
0 |
0.032 |
4 |
7 |
|
A |
40 |
12 |
13280 |
◊ |
A |
-x+1,y,-z-1/2 |
3_654 |
40 |
12 |
13280 |
380.3 |
4.3 |
0.948 |
11 |
6 |
0 |
0.000 |
5 |
8 |
|
B |
29 |
7 |
13180 |
◊ |
A |
-x,y,-z-1/2 |
3_554 |
17 |
5 |
13280 |
192.1 |
-2.2 |
0.186 |
0 |
0 |
0 |
0.000 |
6 |
9 |
|
[MRD]C:258 |
7 |
1 |
271 |
f |
C |
x,y,z |
1_555 |
22 |
7 |
13215 |
151.8 |
2.7 |
0.494 |
3 |
0 |
0 |
0.000 |
7 |
10 |
|
[MRD]B:258 |
7 |
1 |
278 |
◊ |
C |
x,y,z |
1_555 |
28 |
10 |
13215 |
150.1 |
3.3 |
0.477 |
1 |
0 |
0 |
0.000 |
8 |
11 |
|
[MPD]B:256 |
7 |
1 |
279 |
f |
B |
x,y,z |
1_555 |
23 |
7 |
13180 |
134.8 |
-7.8 |
0.889 |
3 |
0 |
0 |
0.167 |
12 |
|
[MPD]A:256 |
7 |
1 |
278 |
f |
A |
x,y,z |
1_555 |
23 |
7 |
13280 |
134.4 |
-7.6 |
0.898 |
3 |
0 |
0 |
0.167 |
13 |
|
[MPD]C:256 |
7 |
1 |
280 |
f |
C |
x,y,z |
1_555 |
23 |
7 |
13215 |
131.5 |
-7.7 |
0.894 |
3 |
0 |
0 |
0.167 |
Average: |
133.6 |
-7.7 |
0.894 |
3 |
0 |
0 |
0.167 |
9 |
14 |
|
[MPD]A:258 |
7 |
1 |
274 |
f |
A |
x,y,z |
1_555 |
26 |
8 |
13280 |
132.0 |
-7.1 |
0.883 |
1 |
0 |
0 |
0.070 |
10 |
15 |
|
[NGA]A:254 |
12 |
1 |
371 |
f |
A |
x,y,z |
1_555 |
13 |
4 |
13280 |
128.7 |
2.2 |
0.188 |
6 |
0 |
0 |
0.008 |
16 |
|
[NGA]B:254 |
12 |
1 |
370 |
f |
B |
x,y,z |
1_555 |
14 |
4 |
13180 |
126.6 |
2.3 |
0.189 |
6 |
0 |
0 |
0.008 |
17 |
|
[NGA]C:254 |
13 |
1 |
371 |
f |
C |
x,y,z |
1_555 |
13 |
4 |
13215 |
124.6 |
2.2 |
0.158 |
6 |
0 |
0 |
0.008 |
Average: |
126.6 |
2.2 |
0.178 |
6 |
0 |
0 |
0.008 |
11 |
18 |
|
[MRD]C:255 |
6 |
1 |
274 |
◊ |
C |
x,y,z |
1_555 |
18 |
4 |
13215 |
94.6 |
0.7 |
0.325 |
0 |
0 |
0 |
0.000 |
12 |
19 |
|
[SO4]A:257 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
12 |
5 |
13280 |
90.5 |
-11.8 |
0.908 |
6 |
0 |
0 |
0.134 |
13 |
20 |
|
[SO4]B:257 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
11 |
5 |
13180 |
90.1 |
-11.8 |
0.922 |
6 |
0 |
0 |
0.059 |
14 |
21 |
|
[SO4]C:257 |
5 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
10 |
5 |
13215 |
89.1 |
-11.7 |
0.921 |
5 |
0 |
0 |
0.223 |
15 |
22 |
|
[NGA]C:254 |
9 |
1 |
371 |
◊ |
B |
x,y,z |
1_555 |
13 |
4 |
13180 |
84.6 |
1.8 |
0.356 |
0 |
0 |
0 |
0.000 |
23 |
|
[NGA]B:254 |
9 |
1 |
370 |
◊ |
A |
x,y,z |
1_555 |
12 |
4 |
13280 |
81.1 |
1.6 |
0.317 |
0 |
0 |
0 |
0.000 |
24 |
|
[NGA]A:254 |
9 |
1 |
371 |
◊ |
C |
x,y,z |
1_555 |
13 |
4 |
13215 |
80.9 |
1.7 |
0.315 |
0 |
0 |
0 |
0.000 |
Average: |
82.2 |
1.7 |
0.329 |
0 |
0 |
0 |
0.000 |
16 |
25 |
|
[SO4]B:259 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
13 |
6 |
13180 |
82.1 |
-12.5 |
0.723 |
4 |
0 |
0 |
0.058 |
17 |
26 |
|
[MPD]C:256 |
7 |
1 |
280 |
◊ |
C |
x,-y,-z |
4_555 |
10 |
4 |
13215 |
74.2 |
-3.6 |
0.000 |
4 |
0 |
0 |
0.086 |
27 |
|
[MPD]A:256 |
6 |
1 |
278 |
◊ |
B |
x,-y,-z |
4_555 |
9 |
3 |
13180 |
68.0 |
-3.3 |
0.000 |
3 |
0 |
0 |
0.086 |
28 |
|
[MPD]B:256 |
6 |
1 |
279 |
◊ |
A |
x,-y,-z |
4_555 |
10 |
4 |
13280 |
66.6 |
-3.4 |
0.879 |
3 |
0 |
0 |
0.086 |
Average: |
69.6 |
-3.4 |
0.293 |
3 |
0 |
0 |
0.086 |
18 |
29 |
|
B |
8 |
3 |
13180 |
◊ |
B |
-x+1,y,-z-1/2 |
3_654 |
8 |
3 |
13180 |
70.6 |
0.5 |
0.717 |
0 |
0 |
0 |
0.000 |
19 |
30 |
|
C |
10 |
4 |
13215 |
f |
[SO4]A:259 |
-x+1/2,-y-1/2,z-1/2 |
6_544 |
5 |
1 |
184 |
66.7 |
-8.6 |
0.825 |
2 |
0 |
0 |
0.152 |
20 |
31 |
|
[MPD]A:258 |
4 |
1 |
274 |
◊ |
C |
x,y,z |
1_555 |
9 |
3 |
13215 |
62.2 |
-3.4 |
0.818 |
0 |
0 |
0 |
0.014 |
21 |
32 |
|
C |
4 |
2 |
13215 |
◊ |
A |
-x+1,y,-z-1/2 |
3_654 |
8 |
2 |
13280 |
60.3 |
-1.3 |
0.118 |
0 |
0 |
0 |
0.000 |
22 |
33 |
|
[SO4]C:259 |
4 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
8 |
3 |
13215 |
58.8 |
-7.5 |
0.862 |
2 |
0 |
0 |
0.134 |
23 |
34 |
|
C |
5 |
3 |
13215 |
◊ |
C |
-x+1,y,-z+1/2 |
3_655 |
5 |
3 |
13215 |
57.3 |
-1.7 |
0.117 |
0 |
0 |
0 |
0.000 |
24 |
35 |
|
[SO4]C:259 |
4 |
1 |
184 |
◊ |
A |
-x+1/2,-y-1/2,z-1/2 |
6_544 |
8 |
3 |
13280 |
54.3 |
-7.2 |
0.694 |
1 |
0 |
0 |
0.071 |
25 |
36 |
|
[SO4]B:255 |
5 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
8 |
3 |
13180 |
51.8 |
-6.6 |
0.837 |
3 |
0 |
0 |
0.032 |
26 |
37 |
|
[SO4]B:255 |
5 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
9 |
3 |
13215 |
51.7 |
-6.7 |
0.840 |
3 |
0 |
0 |
0.128 |
27 |
38 |
|
[SO4]B:255 |
5 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
9 |
3 |
13280 |
51.6 |
-6.5 |
0.838 |
3 |
0 |
0 |
0.032 |
28 |
39 |
|
[SO4]A:259 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
7 |
2 |
13280 |
49.0 |
-6.2 |
0.721 |
1 |
0 |
0 |
0.062 |
29 |
40 |
|
[MRD]C:255 |
5 |
1 |
274 |
f |
B |
x,y,z |
1_555 |
5 |
3 |
13180 |
48.9 |
0.2 |
0.364 |
1 |
0 |
0 |
0.000 |
30 |
41 |
|
[MRD]C:255 |
3 |
1 |
274 |
f |
[MRD]B:258 |
x,y,z |
1_555 |
4 |
1 |
278 |
48.3 |
1.5 |
0.299 |
0 |
0 |
0 |
0.000 |
31 |
42 |
|
[MRD]C:258 |
4 |
1 |
271 |
◊ |
B |
x,y,z |
1_555 |
7 |
2 |
13180 |
47.1 |
1.6 |
0.520 |
0 |
0 |
0 |
0.000 |
32 |
43 |
|
[MPD]A:258 |
3 |
1 |
274 |
◊ |
A |
-x+1,y,-z-1/2 |
3_654 |
4 |
1 |
13280 |
37.7 |
-2.0 |
0.751 |
0 |
0 |
0 |
0.000 |
33 |
44 |
|
[NI]B:261 |
1 |
1 |
115 |
◊ |
B |
x,y,z |
1_555 |
7 |
3 |
13180 |
36.5 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.035 |
45 |
|
[NI]B:261 |
1 |
1 |
115 |
◊ |
C |
x,y,z |
1_555 |
7 |
3 |
13215 |
35.4 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.035 |
46 |
|
[NI]B:261 |
1 |
1 |
115 |
◊ |
A |
x,y,z |
1_555 |
7 |
3 |
13280 |
34.6 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.035 |
Average: |
35.5 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.035 |
34 |
47 |
|
[CA]B:260 |
1 |
1 |
85 |
◊ |
C |
x,y,z |
1_555 |
10 |
7 |
13215 |
33.7 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.062 |
48 |
|
[CA]C:260 |
1 |
1 |
85 |
◊ |
A |
x,y,z |
1_555 |
10 |
7 |
13280 |
33.4 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.062 |
49 |
|
[CA]A:260 |
1 |
1 |
85 |
◊ |
B |
x,y,z |
1_555 |
10 |
7 |
13180 |
33.4 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.062 |
Average: |
33.5 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.062 |
35 |
50 |
|
[CA]C:260 |
1 |
1 |
85 |
f |
C |
x,y,z |
1_555 |
6 |
5 |
13215 |
32.4 |
-7.2 |
0.000 |
0 |
0 |
0 |
0.135 |
51 |
|
[CA]A:260 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
7 |
5 |
13280 |
32.2 |
-7.3 |
0.000 |
0 |
0 |
0 |
0.135 |
52 |
|
[CA]B:260 |
1 |
1 |
85 |
f |
B |
x,y,z |
1_555 |
7 |
5 |
13180 |
32.0 |
-7.1 |
0.000 |
0 |
0 |
0 |
0.135 |
Average: |
32.2 |
-7.2 |
0.000 |
0 |
0 |
0 |
0.135 |
36 |
53 |
|
A |
2 |
1 |
13280 |
◊ |
A |
x,-y,-z |
4_555 |
2 |
1 |
13280 |
31.8 |
-1.0 |
0.086 |
0 |
0 |
0 |
0.006 |
54 |
|
C |
2 |
1 |
13215 |
◊ |
B |
x,-y,-z |
4_555 |
2 |
1 |
13180 |
30.4 |
-1.0 |
0.092 |
0 |
0 |
0 |
0.006 |
Average: |
31.1 |
-1.0 |
0.089 |
0 |
0 |
0 |
0.006 |
37 |
55 |
|
B |
4 |
2 |
13180 |
◊ |
B |
x,-y,-z |
4_555 |
4 |
2 |
13180 |
25.1 |
0.2 |
0.678 |
1 |
0 |
0 |
0.001 |
56 |
|
C |
4 |
2 |
13215 |
◊ |
A |
x,-y,-z |
4_555 |
4 |
2 |
13280 |
23.3 |
0.2 |
0.679 |
1 |
0 |
0 |
0.001 |
Average: |
24.2 |
0.2 |
0.678 |
1 |
0 |
0 |
0.001 |
38 |
57 |
|
[MRD]B:258 |
1 |
1 |
278 |
f |
B |
x,y,z |
1_555 |
3 |
2 |
13180 |
12.2 |
0.1 |
0.483 |
0 |
0 |
0 |
0.000 |
39 |
58 |
|
[NGA]C:254 |
3 |
1 |
371 |
◊ |
B |
-x+1,y,-z-1/2 |
3_654 |
1 |
1 |
13180 |
11.2 |
0.4 |
0.448 |
0 |
0 |
0 |
0.000 |
40 |
59 |
|
C |
2 |
1 |
13215 |
◊ |
C |
-x,y,-z-1/2 |
3_554 |
2 |
1 |
13215 |
9.7 |
0.1 |
0.684 |
0 |
0 |
0 |
0.000 |
41 |
60 |
|
[SO4]B:259 |
1 |
1 |
185 |
◊ |
[SO4]B:259 |
-x,y,-z+1/2 |
3_555 |
1 |
1 |
185 |
5.9 |
-1.4 |
0.800 |
0 |
0 |
0 |
0.000 |
42 |
61 |
|
C |
2 |
2 |
13215 |
◊ |
A |
-x+1/2,-y-1/2,z-1/2 |
6_544 |
3 |
2 |
13280 |
5.6 |
0.1 |
0.637 |
0 |
0 |
0 |
0.000 |
43 |
62 |
|
[NGA]C:254 |
1 |
1 |
371 |
◊ |
A |
-x+1/2,-y-1/2,z-1/2 |
6_544 |
1 |
1 |
13280 |
4.9 |
0.3 |
0.531 |
0 |
0 |
0 |
0.000 |
44 |
63 |
|
[MPD]B:256 |
1 |
1 |
279 |
◊ |
B |
x,-y,-z |
4_555 |
2 |
1 |
13180 |
3.7 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.002 |
64 |
|
[MPD]A:256 |
1 |
1 |
278 |
◊ |
C |
x,-y,-z |
4_555 |
2 |
1 |
13215 |
2.2 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.002 |
65 |
|
[MPD]C:256 |
1 |
1 |
280 |
◊ |
A |
x,-y,-z |
4_555 |
1 |
1 |
13280 |
1.1 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.002 |
Average: |
2.3 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.002 |
45 |
66 |
|
[MRD]C:255 |
1 |
1 |
274 |
◊ |
[NGA]C:254 |
x,y,z |
1_555 |
1 |
1 |
371 |
3.6 |
-0.0 |
0.195 |
0 |
0 |
0 |
0.000 |
|