## |
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 |
287 |
67 |
16166 |
◊ |
B |
x,y,z |
1_555 |
283 |
66 |
16156 |
2654.0 |
-24.7 |
0.214 |
33 |
4 |
0 |
1.000 |
2 |
|
D |
275 |
65 |
15925 |
◊ |
A |
x,y,z |
1_555 |
273 |
63 |
15947 |
2569.0 |
-21.8 |
0.391 |
30 |
4 |
0 |
1.000 |
Average: |
2611.5 |
-23.3 |
0.303 |
32 |
4 |
0 |
1.000 |
2 |
3 |
|
B |
279 |
66 |
16156 |
◊ |
A |
x,y,z |
1_555 |
279 |
66 |
15947 |
2495.3 |
-30.8 |
0.076 |
28 |
4 |
0 |
1.000 |
4 |
|
D |
281 |
67 |
15925 |
◊ |
C |
x,y,z |
1_555 |
283 |
65 |
16166 |
2484.5 |
-30.7 |
0.090 |
29 |
4 |
0 |
1.000 |
Average: |
2489.9 |
-30.7 |
0.083 |
29 |
4 |
0 |
1.000 |
3 |
5 |
|
C |
48 |
15 |
16166 |
◊ |
B |
-x,-y+1,z |
2_565 |
49 |
16 |
16156 |
430.8 |
-1.7 |
0.610 |
0 |
0 |
0 |
0.007 |
4 |
6 |
|
C |
47 |
13 |
16166 |
◊ |
C |
-x,-y+1,z |
2_565 |
46 |
13 |
16166 |
389.7 |
-3.1 |
0.481 |
4 |
0 |
0 |
0.021 |
7 |
|
B |
48 |
13 |
16156 |
◊ |
B |
-x,-y+1,z |
2_565 |
48 |
13 |
16156 |
385.1 |
-3.4 |
0.453 |
4 |
0 |
0 |
0.021 |
Average: |
387.4 |
-3.2 |
0.467 |
4 |
0 |
0 |
0.021 |
5 |
8 |
|
B |
48 |
17 |
16156 |
◊ |
C |
x,y,z-1 |
1_554 |
44 |
17 |
16166 |
379.6 |
2.0 |
0.865 |
1 |
4 |
0 |
0.000 |
6 |
9 |
|
D |
39 |
10 |
15925 |
◊ |
A |
-x,-y,z |
2_555 |
35 |
12 |
15947 |
296.5 |
-1.2 |
0.656 |
2 |
0 |
0 |
0.000 |
7 |
10 |
|
C |
24 |
7 |
16166 |
◊ |
A |
x,y,z |
1_555 |
25 |
7 |
15947 |
265.9 |
-0.5 |
0.659 |
4 |
4 |
0 |
0.042 |
11 |
|
D |
26 |
7 |
15925 |
◊ |
B |
x,y,z |
1_555 |
25 |
7 |
16156 |
263.1 |
-0.6 |
0.650 |
4 |
4 |
0 |
0.042 |
Average: |
264.5 |
-0.5 |
0.655 |
4 |
4 |
0 |
0.042 |
8 |
12 |
|
B |
18 |
5 |
16156 |
◊ |
A |
x-1/2,-y+1/2,-z-1 |
4_454 |
21 |
4 |
15947 |
142.2 |
-1.2 |
0.524 |
0 |
0 |
0 |
0.000 |
13 |
|
D |
18 |
3 |
15925 |
◊ |
C |
x-1/2,-y+1/2,-z |
4_455 |
17 |
4 |
16166 |
133.1 |
-1.3 |
0.496 |
0 |
0 |
0 |
0.000 |
Average: |
137.6 |
-1.3 |
0.510 |
0 |
0 |
0 |
0.000 |
9 |
14 |
|
[AZA]A:401 |
11 |
1 |
271 |
◊ |
A |
x,y,z |
1_555 |
19 |
9 |
15947 |
126.5 |
2.1 |
0.400 |
3 |
0 |
0 |
0.000 |
15 |
|
[AZA]D:402 |
11 |
1 |
269 |
◊ |
D |
x,y,z |
1_555 |
18 |
9 |
15925 |
126.5 |
2.1 |
0.422 |
3 |
0 |
0 |
0.000 |
16 |
|
[AZA]B:401 |
11 |
1 |
273 |
◊ |
B |
x,y,z |
1_555 |
19 |
9 |
16156 |
126.4 |
2.2 |
0.390 |
3 |
0 |
0 |
0.000 |
17 |
|
[AZA]C:401 |
11 |
1 |
270 |
◊ |
C |
x,y,z |
1_555 |
20 |
9 |
16166 |
125.3 |
2.1 |
0.394 |
3 |
0 |
0 |
0.000 |
Average: |
126.2 |
2.1 |
0.402 |
3 |
0 |
0 |
0.000 |
10 |
18 |
|
B |
13 |
5 |
16156 |
◊ |
D |
x-1/2,-y+1/2,-z |
4_455 |
11 |
3 |
15925 |
117.8 |
-2.0 |
0.258 |
0 |
1 |
0 |
0.000 |
19 |
|
A |
11 |
3 |
15947 |
◊ |
C |
x-1/2,-y+1/2,-z-1 |
4_454 |
14 |
5 |
16166 |
115.5 |
-2.1 |
0.253 |
0 |
1 |
0 |
0.000 |
Average: |
116.7 |
-2.1 |
0.255 |
0 |
1 |
0 |
0.000 |
11 |
20 |
|
[EDO]A:404 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
23 |
10 |
15947 |
117.7 |
3.9 |
0.728 |
1 |
0 |
0 |
0.000 |
21 |
|
[EDO]D:405 |
4 |
1 |
182 |
◊ |
D |
x,y,z |
1_555 |
22 |
10 |
15925 |
116.9 |
4.0 |
0.736 |
1 |
0 |
0 |
0.000 |
22 |
|
[EDO]B:403 |
4 |
1 |
183 |
◊ |
B |
x,y,z |
1_555 |
22 |
10 |
16156 |
109.6 |
3.7 |
0.716 |
1 |
0 |
0 |
0.000 |
Average: |
114.7 |
3.9 |
0.727 |
1 |
0 |
0 |
0.000 |
12 |
23 |
|
[EDO]B:405 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
19 |
8 |
16156 |
114.5 |
3.4 |
0.488 |
2 |
0 |
0 |
0.000 |
13 |
24 |
|
[EDO]C:405 |
4 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
18 |
7 |
16166 |
113.5 |
3.5 |
0.490 |
2 |
0 |
0 |
0.000 |
14 |
25 |
|
[EDO]D:401 |
4 |
1 |
184 |
f |
D |
x,y,z |
1_555 |
17 |
7 |
15925 |
111.3 |
3.4 |
0.502 |
2 |
0 |
0 |
0.000 |
15 |
26 |
|
[EDO]C:403 |
4 |
1 |
184 |
◊ |
C |
x,y,z |
1_555 |
23 |
10 |
16166 |
110.8 |
3.7 |
0.713 |
1 |
0 |
0 |
0.000 |
16 |
27 |
|
A |
11 |
5 |
15947 |
x |
A |
x-1/2,-y+1/2,-z-1 |
4_454 |
22 |
8 |
15947 |
101.0 |
1.0 |
0.813 |
0 |
0 |
0 |
0.000 |
28 |
|
D |
16 |
7 |
15925 |
x |
D |
x-1/2,-y+1/2,-z |
4_455 |
10 |
5 |
15925 |
91.8 |
1.4 |
0.815 |
0 |
0 |
0 |
0.000 |
Average: |
96.4 |
1.2 |
0.814 |
0 |
0 |
0 |
0.000 |
17 |
29 |
|
[EDO]C:404 |
4 |
1 |
184 |
◊ |
C |
x,y,z |
1_555 |
16 |
8 |
16166 |
100.8 |
3.1 |
0.513 |
1 |
0 |
0 |
0.000 |
30 |
|
[EDO]B:406 |
4 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
13 |
7 |
16156 |
100.4 |
3.1 |
0.516 |
1 |
0 |
0 |
0.000 |
Average: |
100.6 |
3.1 |
0.514 |
1 |
0 |
0 |
0.000 |
18 |
31 |
|
[EDO]B:404 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
14 |
5 |
16156 |
89.7 |
2.5 |
0.423 |
0 |
0 |
0 |
0.000 |
19 |
32 |
|
[EDO]C:406 |
4 |
1 |
183 |
◊ |
D |
x,y,z |
1_555 |
15 |
5 |
15925 |
89.4 |
2.5 |
0.430 |
0 |
0 |
0 |
0.000 |
20 |
33 |
|
A |
9 |
4 |
15947 |
◊ |
A |
-x,-y,z |
2_555 |
9 |
4 |
15947 |
87.2 |
2.7 |
0.951 |
0 |
0 |
0 |
0.000 |
21 |
34 |
|
[AZA]B:401 |
8 |
1 |
273 |
f |
A |
x,y,z |
1_555 |
11 |
6 |
15947 |
69.4 |
0.5 |
0.111 |
1 |
0 |
0 |
0.001 |
35 |
|
[AZA]C:401 |
7 |
1 |
270 |
f |
D |
x,y,z |
1_555 |
10 |
5 |
15925 |
67.9 |
0.5 |
0.173 |
1 |
0 |
0 |
0.001 |
36 |
|
[AZA]A:401 |
7 |
1 |
271 |
f |
B |
x,y,z |
1_555 |
11 |
6 |
16156 |
67.4 |
0.4 |
0.159 |
1 |
0 |
0 |
0.001 |
37 |
|
[AZA]D:402 |
7 |
1 |
269 |
f |
C |
x,y,z |
1_555 |
10 |
5 |
16166 |
67.0 |
0.4 |
0.162 |
1 |
0 |
0 |
0.001 |
Average: |
67.9 |
0.5 |
0.151 |
1 |
0 |
0 |
0.001 |
22 |
38 |
|
[EDO]C:406 |
4 |
1 |
183 |
f |
C |
x,y,z |
1_555 |
7 |
4 |
16166 |
56.6 |
1.6 |
0.933 |
2 |
0 |
0 |
0.000 |
23 |
39 |
|
A |
8 |
4 |
15947 |
◊ |
C |
x,y,z-1 |
1_554 |
10 |
5 |
16166 |
54.4 |
-0.3 |
0.559 |
0 |
0 |
0 |
0.000 |
40 |
|
B |
8 |
4 |
16156 |
◊ |
D |
x,y,z-1 |
1_554 |
8 |
3 |
15925 |
53.2 |
-0.2 |
0.579 |
0 |
0 |
0 |
0.000 |
Average: |
53.8 |
-0.3 |
0.569 |
0 |
0 |
0 |
0.000 |
24 |
41 |
|
[OXY]C:402 |
2 |
1 |
118 |
f |
C |
x,y,z |
1_555 |
6 |
4 |
16166 |
43.5 |
0.8 |
0.833 |
2 |
0 |
0 |
0.008 |
25 |
42 |
|
[OXY]D:403 |
2 |
1 |
119 |
f |
D |
x,y,z |
1_555 |
6 |
4 |
15925 |
43.2 |
0.7 |
0.842 |
2 |
0 |
0 |
0.009 |
26 |
43 |
|
[OXY]A:402 |
2 |
1 |
118 |
f |
A |
x,y,z |
1_555 |
6 |
4 |
15947 |
42.6 |
0.8 |
0.835 |
2 |
0 |
0 |
0.004 |
27 |
44 |
|
[OXY]B:402 |
2 |
1 |
117 |
◊ |
B |
x,y,z |
1_555 |
6 |
5 |
16156 |
42.5 |
0.7 |
0.824 |
1 |
0 |
0 |
0.000 |
28 |
45 |
|
[SO4]A:403 |
4 |
1 |
185 |
◊ |
C |
x,y,z |
1_555 |
2 |
1 |
16166 |
42.4 |
-3.6 |
0.987 |
1 |
0 |
0 |
0.029 |
29 |
46 |
|
[SO4]D:404 |
4 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
2 |
1 |
15925 |
41.6 |
-3.5 |
0.990 |
1 |
0 |
0 |
0.247 |
30 |
47 |
|
[SO4]A:403 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
2 |
1 |
15947 |
40.3 |
-3.5 |
0.986 |
2 |
0 |
0 |
0.139 |
31 |
48 |
|
[SO4]D:404 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
16156 |
38.0 |
-3.4 |
0.983 |
1 |
0 |
0 |
0.027 |
32 |
49 |
|
[EDO]B:404 |
3 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
5 |
4 |
15947 |
37.7 |
0.1 |
0.511 |
0 |
0 |
0 |
0.000 |
33 |
50 |
|
[OXY]D:403 |
2 |
1 |
119 |
◊ |
[AZA]D:402 |
x,y,z |
1_555 |
10 |
1 |
269 |
29.9 |
0.9 |
0.014 |
0 |
0 |
0 |
0.000 |
34 |
51 |
|
[OXY]B:402 |
2 |
1 |
117 |
f |
[AZA]B:401 |
x,y,z |
1_555 |
10 |
1 |
273 |
29.5 |
1.0 |
0.014 |
0 |
0 |
0 |
0.000 |
35 |
52 |
|
[OXY]C:402 |
2 |
1 |
118 |
◊ |
[AZA]C:401 |
x,y,z |
1_555 |
10 |
1 |
270 |
29.5 |
1.0 |
0.019 |
0 |
0 |
0 |
0.000 |
36 |
53 |
|
[OXY]A:402 |
2 |
1 |
118 |
◊ |
[AZA]A:401 |
x,y,z |
1_555 |
10 |
1 |
271 |
29.3 |
1.0 |
0.019 |
0 |
0 |
0 |
0.000 |
37 |
54 |
|
[EDO]B:406 |
3 |
1 |
184 |
f |
[EDO]B:403 |
x,y,z |
1_555 |
2 |
1 |
183 |
28.2 |
1.6 |
1.000 |
0 |
0 |
0 |
0.000 |
55 |
|
[EDO]C:404 |
2 |
1 |
184 |
f |
[EDO]C:403 |
x,y,z |
1_555 |
2 |
1 |
184 |
28.1 |
1.6 |
0.707 |
0 |
0 |
0 |
0.000 |
Average: |
28.1 |
1.6 |
0.854 |
0 |
0 |
0 |
0.000 |
38 |
56 |
|
[OXY]D:403 |
2 |
1 |
119 |
◊ |
C |
x,y,z |
1_555 |
4 |
2 |
16166 |
22.3 |
0.3 |
0.809 |
0 |
0 |
0 |
0.000 |
39 |
57 |
|
[EDO]B:406 |
3 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
3 |
2 |
16166 |
22.1 |
1.3 |
0.968 |
0 |
0 |
0 |
0.000 |
58 |
|
[EDO]C:404 |
2 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
3 |
2 |
16156 |
21.1 |
1.2 |
0.967 |
0 |
0 |
0 |
0.000 |
Average: |
21.6 |
1.3 |
0.967 |
0 |
0 |
0 |
0.000 |
40 |
59 |
|
[OXY]C:402 |
2 |
1 |
118 |
◊ |
D |
x,y,z |
1_555 |
3 |
2 |
15925 |
21.3 |
0.3 |
0.805 |
0 |
0 |
0 |
0.000 |
41 |
60 |
|
[OXY]B:402 |
2 |
1 |
117 |
f |
A |
x,y,z |
1_555 |
5 |
3 |
15947 |
20.3 |
0.2 |
0.774 |
0 |
0 |
0 |
0.000 |
42 |
61 |
|
[OXY]A:402 |
2 |
1 |
118 |
◊ |
B |
x,y,z |
1_555 |
5 |
3 |
16156 |
20.3 |
0.3 |
0.787 |
0 |
0 |
0 |
0.000 |
43 |
62 |
|
A |
1 |
1 |
15947 |
◊ |
[SO4]A:403 |
x-1/2,-y+1/2,-z-1 |
4_454 |
3 |
1 |
185 |
10.9 |
-1.2 |
0.910 |
0 |
0 |
0 |
0.000 |
44 |
63 |
|
[SO4]D:404 |
2 |
1 |
185 |
◊ |
D |
x-1/2,-y+1/2,-z |
4_455 |
3 |
1 |
15925 |
5.4 |
-0.7 |
0.780 |
0 |
0 |
0 |
0.000 |
|