## |
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 |
|
B |
344 |
87 |
18068 |
◊ |
A |
x,y,z |
1_555 |
343 |
87 |
17699 |
3357.7 |
-48.0 |
0.005 |
25 |
8 |
0 |
0.362 |
2 |
|
D |
352 |
85 |
17778 |
◊ |
C |
x,y,z |
1_555 |
341 |
86 |
17679 |
3352.2 |
-47.1 |
0.007 |
27 |
9 |
0 |
0.362 |
Average: |
3354.9 |
-47.5 |
0.006 |
26 |
9 |
0 |
0.362 |
2 |
3 |
|
C |
47 |
14 |
17679 |
◊ |
D |
-x-3/2,-y,z-1/2 |
2_354 |
50 |
18 |
17778 |
477.8 |
-2.0 |
0.576 |
5 |
3 |
0 |
0.000 |
3 |
4 |
|
A |
46 |
11 |
17699 |
◊ |
B |
-x-1/2,-y,z-1/2 |
2_454 |
50 |
15 |
18068 |
452.2 |
-3.5 |
0.457 |
4 |
2 |
0 |
0.000 |
4 |
5 |
|
[B73]D:2001 |
26 |
1 |
682 |
f |
D |
x,y,z |
1_555 |
73 |
30 |
17778 |
405.2 |
-2.7 |
0.697 |
5 |
0 |
0 |
0.061 |
6 |
|
[B73]C:2001 |
26 |
1 |
682 |
f |
C |
x,y,z |
1_555 |
74 |
30 |
17679 |
401.6 |
-2.8 |
0.706 |
4 |
0 |
0 |
0.061 |
7 |
|
[B73]A:2001 |
26 |
1 |
687 |
f |
A |
x,y,z |
1_555 |
70 |
29 |
17699 |
399.8 |
-2.4 |
0.736 |
6 |
0 |
0 |
0.061 |
8 |
|
[B73]B:2001 |
26 |
1 |
689 |
f |
B |
x,y,z |
1_555 |
69 |
27 |
18068 |
395.5 |
-2.4 |
0.703 |
6 |
0 |
0 |
0.061 |
Average: |
400.5 |
-2.6 |
0.710 |
5 |
0 |
0 |
0.061 |
5 |
9 |
|
D |
47 |
14 |
17778 |
◊ |
B |
x-1/2,-y-1/2,-z |
4_445 |
35 |
8 |
18068 |
388.3 |
-0.8 |
0.649 |
5 |
0 |
0 |
0.000 |
6 |
10 |
|
D |
34 |
11 |
17778 |
◊ |
B |
x,y,z |
1_555 |
39 |
13 |
18068 |
362.9 |
-1.4 |
0.571 |
2 |
3 |
0 |
0.000 |
11 |
|
C |
31 |
13 |
17679 |
◊ |
A |
x,y,z |
1_555 |
32 |
11 |
17699 |
331.3 |
-1.7 |
0.512 |
2 |
3 |
0 |
0.000 |
Average: |
347.1 |
-1.6 |
0.542 |
2 |
3 |
0 |
0.000 |
7 |
12 |
|
C |
15 |
5 |
17679 |
◊ |
B |
x,y,z |
1_555 |
16 |
5 |
18068 |
166.4 |
-2.7 |
0.228 |
0 |
0 |
0 |
0.000 |
8 |
13 |
|
A |
18 |
8 |
17699 |
◊ |
D |
-x-3/2,-y,z-1/2 |
2_354 |
15 |
3 |
17778 |
150.5 |
0.2 |
0.637 |
0 |
0 |
0 |
0.000 |
9 |
14 |
|
D |
13 |
4 |
17778 |
◊ |
A |
x,y,z |
1_555 |
14 |
4 |
17699 |
144.1 |
-2.0 |
0.311 |
0 |
0 |
0 |
0.000 |
10 |
15 |
|
A |
15 |
8 |
17699 |
◊ |
B |
x-1/2,-y+1/2,-z |
4_455 |
12 |
6 |
18068 |
132.0 |
-2.6 |
0.207 |
0 |
0 |
0 |
0.000 |
11 |
16 |
|
[SO4]A:3001 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
19 |
10 |
17699 |
123.2 |
-15.7 |
0.834 |
5 |
0 |
0 |
0.217 |
17 |
|
[SO4]C:3001 |
5 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
19 |
11 |
17679 |
120.5 |
-15.8 |
0.816 |
6 |
0 |
0 |
0.217 |
18 |
|
[SO4]B:3001 |
5 |
1 |
187 |
f |
B |
x,y,z |
1_555 |
18 |
10 |
18068 |
119.4 |
-15.9 |
0.818 |
5 |
0 |
0 |
0.217 |
Average: |
121.0 |
-15.8 |
0.823 |
5 |
0 |
0 |
0.217 |
12 |
19 |
|
[SO4]D:3001 |
5 |
1 |
186 |
f |
D |
x,y,z |
1_555 |
18 |
10 |
17778 |
120.9 |
-16.0 |
0.818 |
6 |
0 |
0 |
0.112 |
13 |
20 |
|
C |
12 |
4 |
17679 |
◊ |
A |
-x-1,y-1/2,-z-1/2 |
3_444 |
11 |
4 |
17699 |
115.6 |
-0.8 |
0.467 |
1 |
0 |
0 |
0.000 |
14 |
21 |
|
[B73]C:2001 |
8 |
1 |
682 |
◊ |
D |
x,y,z |
1_555 |
13 |
5 |
17778 |
106.1 |
-2.3 |
0.295 |
0 |
0 |
0 |
0.025 |
22 |
|
[B73]A:2001 |
8 |
1 |
687 |
◊ |
B |
x,y,z |
1_555 |
13 |
4 |
18068 |
103.9 |
-2.2 |
0.314 |
0 |
0 |
0 |
0.025 |
23 |
|
[B73]B:2001 |
8 |
1 |
689 |
◊ |
A |
x,y,z |
1_555 |
14 |
4 |
17699 |
101.5 |
-1.7 |
0.391 |
0 |
0 |
0 |
0.025 |
24 |
|
[B73]D:2001 |
8 |
1 |
682 |
◊ |
C |
x,y,z |
1_555 |
12 |
4 |
17679 |
95.4 |
-1.9 |
0.343 |
0 |
0 |
0 |
0.025 |
Average: |
101.7 |
-2.0 |
0.336 |
0 |
0 |
0 |
0.025 |
15 |
25 |
|
D |
12 |
4 |
17778 |
◊ |
B |
x-1/2,-y+1/2,-z |
4_455 |
12 |
4 |
18068 |
96.1 |
0.0 |
0.654 |
2 |
0 |
0 |
0.000 |
16 |
26 |
|
[MG]C:1001 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
12 |
6 |
17679 |
49.0 |
-5.3 |
0.000 |
0 |
0 |
0 |
0.058 |
27 |
|
[MG]B:1001 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
13 |
6 |
18068 |
47.1 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.058 |
28 |
|
[MG]D:1001 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
11 |
6 |
17778 |
46.6 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.058 |
29 |
|
[MG]A:1001 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
11 |
6 |
17699 |
45.4 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.058 |
Average: |
47.0 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.058 |
17 |
30 |
|
[B73]B:2001 |
4 |
1 |
689 |
◊ |
[B73]A:2001 |
x,y,z |
1_555 |
3 |
1 |
687 |
42.1 |
-1.3 |
0.376 |
0 |
0 |
0 |
0.008 |
31 |
|
[B73]D:2001 |
2 |
1 |
682 |
◊ |
[B73]C:2001 |
x,y,z |
1_555 |
2 |
1 |
682 |
36.2 |
-1.2 |
0.341 |
0 |
0 |
0 |
0.008 |
Average: |
39.1 |
-1.3 |
0.358 |
0 |
0 |
0 |
0.008 |
18 |
32 |
|
C |
6 |
2 |
17679 |
◊ |
B |
x-1/2,-y+1/2,-z |
4_455 |
8 |
4 |
18068 |
42.0 |
0.5 |
0.758 |
0 |
0 |
0 |
0.000 |
19 |
33 |
|
[MG]C:1002 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
10 |
6 |
17679 |
40.8 |
-6.3 |
0.000 |
0 |
0 |
0 |
0.070 |
34 |
|
[MG]A:1002 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
11 |
6 |
17699 |
39.7 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.070 |
35 |
|
[MG]B:1002 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
11 |
6 |
18068 |
39.5 |
-5.8 |
0.000 |
0 |
0 |
0 |
0.070 |
36 |
|
[MG]D:1002 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
11 |
6 |
17778 |
38.7 |
-5.3 |
0.000 |
0 |
0 |
0 |
0.070 |
Average: |
39.7 |
-5.7 |
0.000 |
0 |
0 |
0 |
0.070 |
20 |
37 |
|
[MG]C:1003 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
11 |
6 |
17679 |
33.6 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.043 |
38 |
|
[MG]D:1003 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
8 |
6 |
17778 |
30.9 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.043 |
39 |
|
[MG]B:1003 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
10 |
6 |
18068 |
30.9 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.043 |
40 |
|
[MG]A:1003 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
10 |
6 |
17699 |
30.5 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.043 |
Average: |
31.5 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.043 |
21 |
41 |
|
[B73]C:2001 |
7 |
1 |
682 |
f |
[MG]C:1003 |
x,y,z |
1_555 |
1 |
1 |
98 |
32.4 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.054 |
42 |
|
[B73]D:2001 |
5 |
1 |
682 |
f |
[MG]D:1002 |
x,y,z |
1_555 |
1 |
1 |
98 |
27.4 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.054 |
43 |
|
[B73]A:2001 |
4 |
1 |
687 |
f |
[MG]A:1002 |
x,y,z |
1_555 |
1 |
1 |
98 |
26.6 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.054 |
44 |
|
[B73]B:2001 |
5 |
1 |
689 |
f |
[MG]B:1002 |
x,y,z |
1_555 |
1 |
1 |
98 |
26.1 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.054 |
45 |
|
[B73]C:2001 |
4 |
1 |
682 |
f |
[MG]C:1002 |
x,y,z |
1_555 |
1 |
1 |
98 |
23.7 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.054 |
Average: |
27.2 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.054 |
22 |
46 |
|
[B73]B:2001 |
7 |
1 |
689 |
f |
[MG]B:1003 |
x,y,z |
1_555 |
1 |
1 |
98 |
32.1 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.047 |
47 |
|
[B73]A:2001 |
7 |
1 |
687 |
f |
[MG]A:1003 |
x,y,z |
1_555 |
1 |
1 |
98 |
30.9 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.047 |
48 |
|
[B73]D:2001 |
6 |
1 |
682 |
f |
[MG]D:1003 |
x,y,z |
1_555 |
1 |
1 |
98 |
30.8 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.047 |
Average: |
31.3 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.047 |
23 |
49 |
|
[B73]A:2001 |
4 |
1 |
687 |
f |
[MG]A:1001 |
x,y,z |
1_555 |
1 |
1 |
98 |
31.0 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.042 |
50 |
|
[B73]D:2001 |
3 |
1 |
682 |
f |
[MG]D:1001 |
x,y,z |
1_555 |
1 |
1 |
98 |
30.7 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.042 |
51 |
|
[B73]B:2001 |
2 |
1 |
689 |
f |
[MG]B:1001 |
x,y,z |
1_555 |
1 |
1 |
98 |
30.7 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.042 |
52 |
|
[B73]C:2001 |
2 |
1 |
682 |
f |
[MG]C:1001 |
x,y,z |
1_555 |
1 |
1 |
98 |
28.0 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.042 |
Average: |
30.1 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.042 |
24 |
53 |
|
[MG]A:1003 |
1 |
1 |
98 |
f |
[MG]A:1002 |
x,y,z |
1_555 |
1 |
1 |
98 |
13.4 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.016 |
25 |
54 |
|
[MG]D:1003 |
1 |
1 |
98 |
f |
[MG]D:1002 |
x,y,z |
1_555 |
1 |
1 |
98 |
13.1 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.016 |
26 |
55 |
|
[MG]B:1003 |
1 |
1 |
98 |
f |
[MG]B:1002 |
x,y,z |
1_555 |
1 |
1 |
98 |
10.8 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.013 |
27 |
56 |
|
C |
2 |
2 |
17679 |
◊ |
B |
x-1/2,-y-1/2,-z |
4_445 |
2 |
2 |
18068 |
9.3 |
-0.3 |
0.359 |
0 |
0 |
0 |
0.000 |
28 |
57 |
|
[MG]C:1003 |
1 |
1 |
98 |
f |
[MG]C:1002 |
x,y,z |
1_555 |
1 |
1 |
98 |
8.2 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.010 |
29 |
58 |
|
[MG]D:1003 |
1 |
1 |
98 |
f |
[MG]D:1001 |
x,y,z |
1_555 |
1 |
1 |
98 |
6.9 |
-1.4 |
0.000 |
0 |
0 |
0 |
0.008 |
30 |
59 |
|
[MG]C:1003 |
1 |
1 |
98 |
f |
[MG]C:1001 |
x,y,z |
1_555 |
1 |
1 |
98 |
6.8 |
-1.4 |
0.000 |
0 |
0 |
0 |
0.008 |
31 |
60 |
|
[MG]A:1003 |
1 |
1 |
98 |
f |
[MG]A:1001 |
x,y,z |
1_555 |
1 |
1 |
98 |
6.8 |
-1.4 |
0.000 |
0 |
0 |
0 |
0.008 |
32 |
61 |
|
[MG]B:1003 |
1 |
1 |
98 |
f |
[MG]B:1001 |
x,y,z |
1_555 |
1 |
1 |
98 |
5.8 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.007 |
33 |
62 |
|
D |
1 |
1 |
17778 |
◊ |
A |
x-1/2,-y-1/2,-z |
4_445 |
1 |
1 |
17699 |
0.7 |
0.0 |
0.721 |
0 |
0 |
0 |
0.000 |
|