## |
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 |
135 |
12 |
3048 |
◊ |
A |
x,y,z |
1_555 |
143 |
49 |
27098 |
1231.6 |
-8.0 |
0.412 |
12 |
0 |
0 |
0.298 |
2 |
|
F |
131 |
12 |
3049 |
◊ |
D |
x,y,z |
1_555 |
143 |
49 |
27296 |
1191.1 |
-8.9 |
0.401 |
11 |
0 |
0 |
0.298 |
Average: |
1211.3 |
-8.5 |
0.407 |
12 |
0 |
0 |
0.298 |
2 |
3 |
|
D |
98 |
25 |
27296 |
x |
D |
x-1/2,-y-1/2,-z |
4_445 |
96 |
26 |
27296 |
819.6 |
2.6 |
0.713 |
1 |
7 |
0 |
0.000 |
3 |
4 |
|
D |
92 |
22 |
27296 |
◊ |
A |
-x+5/2,-y,z-1/2 |
2_754 |
82 |
20 |
27098 |
794.0 |
-4.4 |
0.260 |
4 |
1 |
0 |
0.000 |
4 |
5 |
|
D |
78 |
24 |
27296 |
◊ |
A |
-x+5/2,-y-1,z-1/2 |
2_744 |
76 |
21 |
27098 |
697.8 |
-4.1 |
0.262 |
3 |
0 |
0 |
0.000 |
5 |
6 |
|
E |
65 |
6 |
1906 |
◊ |
D |
x,y,z |
1_555 |
78 |
27 |
27296 |
650.2 |
-12.2 |
0.235 |
10 |
0 |
0 |
0.366 |
7 |
|
B |
62 |
6 |
1917 |
◊ |
A |
x,y,z |
1_555 |
75 |
26 |
27098 |
638.4 |
-11.9 |
0.247 |
10 |
0 |
0 |
0.366 |
Average: |
644.3 |
-12.0 |
0.241 |
10 |
0 |
0 |
0.366 |
6 |
8 |
|
D |
68 |
23 |
27296 |
◊ |
A |
x,y,z |
1_555 |
67 |
16 |
27098 |
637.3 |
6.2 |
0.872 |
3 |
4 |
0 |
0.000 |
7 |
9 |
|
A |
50 |
13 |
27098 |
◊ |
D |
x-1/2,-y-1/2,-z |
4_445 |
55 |
17 |
27296 |
465.6 |
-2.1 |
0.327 |
3 |
0 |
0 |
0.000 |
8 |
10 |
|
C |
39 |
9 |
3048 |
◊ |
B |
x,y,z |
1_555 |
41 |
8 |
1917 |
370.9 |
-4.8 |
0.575 |
13 |
0 |
0 |
1.000 |
11 |
|
F |
37 |
9 |
3049 |
◊ |
E |
x,y,z |
1_555 |
40 |
8 |
1906 |
366.9 |
-4.9 |
0.551 |
13 |
0 |
0 |
1.000 |
Average: |
368.9 |
-4.9 |
0.563 |
13 |
0 |
0 |
1.000 |
9 |
12 |
|
[D3T]D:901 |
26 |
1 |
562 |
f |
D |
x,y,z |
1_555 |
46 |
17 |
27296 |
313.0 |
-1.9 |
0.508 |
6 |
0 |
0 |
0.099 |
10 |
13 |
|
D |
28 |
10 |
27296 |
◊ |
A |
x-1/2,-y-1/2,-z |
4_445 |
28 |
7 |
27098 |
209.2 |
3.1 |
0.837 |
0 |
0 |
0 |
0.000 |
11 |
14 |
|
[2DT]B:29 |
11 |
1 |
423 |
◊ |
A |
x,y,z |
1_555 |
19 |
10 |
27098 |
172.1 |
2.4 |
0.661 |
2 |
0 |
0 |
0.000 |
15 |
|
[2DT]E:29 |
12 |
1 |
422 |
◊ |
D |
x,y,z |
1_555 |
20 |
11 |
27296 |
166.7 |
1.5 |
0.605 |
2 |
0 |
0 |
0.000 |
Average: |
169.4 |
1.9 |
0.633 |
2 |
0 |
0 |
0.000 |
12 |
16 |
|
B |
18 |
3 |
1917 |
◊ |
E |
x-1/2,-y-1/2,-z |
4_445 |
17 |
3 |
1906 |
152.1 |
-0.3 |
0.670 |
0 |
0 |
0 |
0.000 |
13 |
17 |
|
A |
19 |
6 |
27098 |
x |
A |
-x+3,y-1/2,-z+1/2 |
3_845 |
16 |
6 |
27098 |
145.0 |
0.3 |
0.599 |
0 |
0 |
0 |
0.000 |
14 |
18 |
|
[MPD]A:903 |
7 |
1 |
280 |
f |
A |
x,y,z |
1_555 |
19 |
7 |
27098 |
136.5 |
-8.6 |
0.588 |
0 |
0 |
0 |
0.191 |
15 |
19 |
|
[2DT]B:29 |
14 |
1 |
423 |
cf |
B |
x,y,z |
1_555 |
12 |
1 |
1917 |
102.0 |
1.4 |
0.578 |
0 |
0 |
0 |
0.000 |
20 |
|
[2DT]E:29 |
14 |
1 |
422 |
cf |
E |
x,y,z |
1_555 |
13 |
1 |
1906 |
94.2 |
1.3 |
0.574 |
0 |
0 |
0 |
0.000 |
Average: |
98.1 |
1.3 |
0.576 |
0 |
0 |
0 |
0.000 |
16 |
21 |
|
C |
14 |
1 |
3048 |
◊ |
F |
x-1/2,-y-1/2,-z |
4_445 |
13 |
1 |
3049 |
101.7 |
1.8 |
0.752 |
0 |
0 |
0 |
0.000 |
17 |
22 |
|
D |
17 |
6 |
27296 |
◊ |
[MPD]A:903 |
-x+5/2,-y-1,z-1/2 |
2_744 |
6 |
1 |
280 |
100.0 |
-5.9 |
0.583 |
0 |
0 |
0 |
0.000 |
18 |
23 |
|
[2DT]E:29 |
15 |
1 |
422 |
◊ |
[D3T]D:901 |
x,y,z |
1_555 |
17 |
1 |
562 |
93.8 |
1.8 |
0.571 |
0 |
0 |
0 |
0.000 |
19 |
24 |
|
[SO4]D:903 |
5 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
9 |
5 |
27296 |
76.9 |
-10.5 |
0.845 |
2 |
0 |
0 |
0.250 |
20 |
25 |
|
[2DT]B:29 |
10 |
1 |
423 |
◊ |
C |
x,y,z |
1_555 |
10 |
3 |
3048 |
74.2 |
1.6 |
0.593 |
1 |
0 |
0 |
0.000 |
26 |
|
[2DT]E:29 |
9 |
1 |
422 |
◊ |
F |
x,y,z |
1_555 |
10 |
3 |
3049 |
68.0 |
1.5 |
0.604 |
1 |
0 |
0 |
0.000 |
Average: |
71.1 |
1.5 |
0.599 |
1 |
0 |
0 |
0.000 |
21 |
27 |
|
[SO4]A:902 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
6 |
2 |
27098 |
70.9 |
-8.4 |
0.894 |
2 |
0 |
0 |
0.207 |
22 |
28 |
|
[SO4]D:902 |
5 |
1 |
184 |
f |
D |
x,y,z |
1_555 |
8 |
4 |
27296 |
69.8 |
-9.0 |
0.870 |
2 |
0 |
0 |
0.218 |
23 |
29 |
|
[SO4]A:901 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
8 |
3 |
27098 |
67.7 |
-8.3 |
0.904 |
1 |
0 |
0 |
0.196 |
24 |
30 |
|
[MN]A:904 |
1 |
1 |
123 |
cf |
A |
x,y,z |
1_555 |
12 |
6 |
27098 |
64.8 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.107 |
31 |
|
[MN]D:904 |
1 |
1 |
123 |
f |
D |
x,y,z |
1_555 |
10 |
6 |
27296 |
50.5 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.107 |
Average: |
57.6 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.107 |
25 |
32 |
|
D |
7 |
3 |
27296 |
x |
D |
-x+3,y-1/2,-z-1/2 |
3_844 |
8 |
3 |
27296 |
63.1 |
-0.5 |
0.439 |
0 |
0 |
0 |
0.000 |
33 |
|
A |
7 |
3 |
27098 |
x |
A |
-x+2,y-1/2,-z+1/2 |
3_745 |
11 |
3 |
27098 |
55.8 |
-0.5 |
0.443 |
0 |
0 |
0 |
0.000 |
Average: |
59.5 |
-0.5 |
0.441 |
0 |
0 |
0 |
0.000 |
26 |
34 |
|
[SO4]A:902 |
4 |
1 |
186 |
◊ |
D |
x-1/2,-y-1/2,-z |
4_445 |
7 |
4 |
27296 |
58.3 |
-8.4 |
0.426 |
0 |
0 |
0 |
0.000 |
27 |
35 |
|
[D3T]D:901 |
5 |
1 |
562 |
◊ |
F |
x,y,z |
1_555 |
7 |
2 |
3049 |
55.5 |
0.1 |
0.560 |
1 |
0 |
0 |
0.008 |
28 |
36 |
|
C |
7 |
1 |
3048 |
◊ |
E |
x-1/2,-y-1/2,-z |
4_445 |
6 |
1 |
1906 |
48.5 |
0.6 |
0.633 |
0 |
0 |
0 |
0.000 |
37 |
|
B |
5 |
1 |
1917 |
◊ |
F |
x-1/2,-y-1/2,-z |
4_445 |
6 |
1 |
3049 |
41.3 |
0.1 |
0.575 |
0 |
0 |
0 |
0.000 |
Average: |
44.9 |
0.4 |
0.604 |
0 |
0 |
0 |
0.000 |
29 |
38 |
|
D |
2 |
1 |
27296 |
◊ |
[SO4]D:902 |
x-1/2,-y-1/2,-z |
4_445 |
3 |
1 |
184 |
42.1 |
-3.9 |
0.977 |
2 |
0 |
0 |
0.000 |
30 |
39 |
|
[D3T]D:901 |
5 |
1 |
562 |
f |
[MN]D:904 |
x,y,z |
1_555 |
1 |
1 |
123 |
40.2 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.072 |
31 |
40 |
|
D |
3 |
1 |
27296 |
◊ |
[SO4]A:901 |
-x+5/2,-y,z-1/2 |
2_754 |
4 |
1 |
186 |
23.9 |
-3.1 |
0.452 |
0 |
0 |
0 |
0.000 |
32 |
41 |
|
B |
2 |
1 |
1917 |
◊ |
D |
x-1/2,-y-1/2,-z |
4_445 |
3 |
2 |
27296 |
19.4 |
-0.3 |
0.490 |
0 |
0 |
0 |
0.000 |
42 |
|
A |
4 |
2 |
27098 |
◊ |
E |
x-1/2,-y-1/2,-z |
4_445 |
1 |
1 |
1906 |
11.1 |
0.4 |
0.689 |
0 |
0 |
0 |
0.000 |
Average: |
15.2 |
0.1 |
0.589 |
0 |
0 |
0 |
0.000 |
33 |
43 |
|
[2DT]E:29 |
1 |
1 |
422 |
◊ |
[MN]D:904 |
x,y,z |
1_555 |
1 |
1 |
123 |
4.3 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.001 |
44 |
|
[2DT]B:29 |
1 |
1 |
423 |
◊ |
[MN]A:904 |
x,y,z |
1_555 |
1 |
1 |
123 |
3.3 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.001 |
Average: |
3.8 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.001 |
34 |
45 |
|
[SO4]D:903 |
1 |
1 |
185 |
◊ |
A |
-x+5/2,-y-1,z-1/2 |
2_744 |
1 |
1 |
27098 |
1.5 |
-0.1 |
0.880 |
0 |
0 |
0 |
0.000 |
35 |
46 |
|
D |
1 |
1 |
27296 |
◊ |
C |
-x+5/2,-y,z-1/2 |
2_754 |
1 |
1 |
3048 |
0.1 |
-0.0 |
0.429 |
0 |
0 |
0 |
0.000 |
|