| ## |
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 |
211 |
58 |
14471 |
◊ |
A |
x,y,z |
1_555 |
220 |
60 |
14304 |
2180.6 |
-14.0 |
0.265 |
38 |
6 |
0 |
0.125 |
2 |
|
D |
214 |
58 |
14144 |
◊ |
C |
x,y,z |
1_555 |
217 |
60 |
14094 |
2149.6 |
-13.5 |
0.316 |
34 |
9 |
0 |
0.125 |
| Average: |
2165.1 |
-13.7 |
0.291 |
36 |
8 |
0 |
0.125 |
| 2 |
3 |
|
D |
129 |
39 |
14144 |
◊ |
A |
x,y,z |
1_555 |
126 |
39 |
14304 |
1281.5 |
-9.8 |
0.269 |
15 |
3 |
0 |
0.077 |
4 |
|
C |
112 |
35 |
14094 |
◊ |
B |
x,y,z |
1_555 |
115 |
35 |
14471 |
1182.5 |
-11.8 |
0.136 |
14 |
3 |
0 |
0.077 |
| Average: |
1232.0 |
-10.8 |
0.203 |
15 |
3 |
0 |
0.077 |
| 3 |
5 |
|
B |
75 |
24 |
14471 |
◊ |
D |
x-1/2,-y+3/2,-z+1 |
4_466 |
82 |
21 |
14144 |
619.3 |
0.9 |
0.762 |
8 |
7 |
0 |
0.014 |
| 4 |
6 |
|
A |
54 |
15 |
14304 |
◊ |
D |
-x+2,y-1/2,-z+3/2 |
3_746 |
55 |
14 |
14144 |
537.8 |
-7.8 |
0.124 |
1 |
1 |
0 |
0.000 |
| 5 |
7 |
|
B |
44 |
13 |
14471 |
◊ |
C |
-x+2,y-1/2,-z+1/2 |
3_745 |
34 |
13 |
14094 |
348.7 |
3.0 |
0.815 |
5 |
2 |
0 |
0.000 |
| 6 |
8 |
|
B |
30 |
8 |
14471 |
◊ |
A |
-x+3/2,-y+1,z-1/2 |
2_664 |
41 |
14 |
14304 |
310.0 |
1.0 |
0.650 |
3 |
1 |
0 |
0.000 |
| 7 |
9 |
|
B |
31 |
9 |
14471 |
◊ |
C |
x,y-1,z |
1_545 |
27 |
7 |
14094 |
294.5 |
-2.3 |
0.374 |
4 |
1 |
0 |
0.000 |
| 8 |
10 |
|
[K]A:704 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
24 |
15 |
14304 |
99.6 |
-67.6 |
0.000 |
0 |
0 |
0 |
0.440 |
11 |
|
[K]C:704 |
1 |
1 |
216 |
f |
C |
x,y,z |
1_555 |
23 |
15 |
14094 |
98.3 |
-67.5 |
0.000 |
0 |
0 |
0 |
0.440 |
12 |
|
[K]B:704 |
1 |
1 |
216 |
f |
B |
x,y,z |
1_555 |
13 |
4 |
14471 |
80.5 |
-38.4 |
0.000 |
0 |
0 |
0 |
0.440 |
| Average: |
92.8 |
-57.8 |
0.000 |
0 |
0 |
0 |
0.440 |
| 9 |
13 |
|
[CIT]C:705 |
9 |
1 |
308 |
◊ |
C |
x,y,z |
1_555 |
12 |
4 |
14094 |
91.1 |
1.7 |
0.544 |
1 |
0 |
0 |
0.000 |
| 10 |
14 |
|
C |
10 |
3 |
14094 |
◊ |
A |
x-1/2,-y+3/2,-z+1 |
4_466 |
10 |
3 |
14304 |
84.1 |
1.0 |
0.785 |
0 |
1 |
0 |
0.000 |
| 11 |
15 |
|
[CIT]D:705 |
7 |
1 |
308 |
f |
D |
x,y,z |
1_555 |
7 |
3 |
14144 |
80.5 |
-0.1 |
0.381 |
2 |
0 |
0 |
0.004 |
| 12 |
16 |
|
[K]D:704 |
1 |
1 |
216 |
f |
D |
x,y,z |
1_555 |
13 |
8 |
14144 |
77.8 |
-64.6 |
0.000 |
0 |
0 |
0 |
0.248 |
| 13 |
17 |
|
[PO4]D:701 |
5 |
1 |
187 |
f |
D |
x,y,z |
1_555 |
16 |
10 |
14144 |
76.6 |
-3.9 |
0.770 |
3 |
0 |
0 |
0.020 |
| 14 |
18 |
|
[PO4]C:701 |
5 |
1 |
188 |
f |
C |
x,y,z |
1_555 |
17 |
11 |
14094 |
73.8 |
-4.1 |
0.767 |
5 |
0 |
0 |
0.026 |
| 15 |
19 |
|
[PO4]A:701 |
5 |
1 |
188 |
f |
A |
x,y,z |
1_555 |
15 |
12 |
14304 |
73.2 |
-4.1 |
0.767 |
3 |
0 |
0 |
0.021 |
| 16 |
20 |
|
[PO4]B:701 |
5 |
1 |
190 |
f |
B |
x,y,z |
1_555 |
15 |
10 |
14471 |
66.8 |
-3.2 |
0.852 |
3 |
0 |
0 |
0.019 |
| 17 |
21 |
|
B |
7 |
2 |
14471 |
◊ |
D |
x,y-1,z |
1_545 |
8 |
5 |
14144 |
65.8 |
0.1 |
0.551 |
1 |
0 |
0 |
0.000 |
| 18 |
22 |
|
B |
11 |
6 |
14471 |
◊ |
C |
x-1/2,-y+3/2,-z+1 |
4_466 |
9 |
5 |
14094 |
65.7 |
-0.8 |
0.454 |
0 |
0 |
0 |
0.001 |
| 19 |
23 |
|
[K]B:704 |
1 |
1 |
216 |
◊ |
D |
x-1/2,-y+3/2,-z+1 |
4_466 |
10 |
4 |
14144 |
63.5 |
-33.9 |
0.000 |
0 |
0 |
0 |
0.130 |
| 20 |
24 |
|
[CIT]C:705 |
8 |
1 |
308 |
◊ |
A |
x,y,z |
1_555 |
9 |
4 |
14304 |
60.5 |
0.4 |
0.337 |
0 |
0 |
0 |
0.000 |
| 21 |
25 |
|
[CIT]D:705 |
7 |
1 |
308 |
◊ |
B |
x,y,z |
1_555 |
6 |
3 |
14471 |
57.9 |
0.8 |
0.433 |
0 |
0 |
0 |
0.000 |
| 22 |
26 |
|
D |
5 |
2 |
14144 |
◊ |
B |
x,y,z |
1_555 |
5 |
2 |
14471 |
45.9 |
1.5 |
0.892 |
2 |
0 |
0 |
0.000 |
27 |
|
C |
4 |
2 |
14094 |
◊ |
A |
x,y,z |
1_555 |
6 |
2 |
14304 |
43.0 |
1.0 |
0.825 |
0 |
0 |
0 |
0.000 |
| Average: |
44.5 |
1.3 |
0.858 |
1 |
0 |
0 |
0.000 |
| 23 |
28 |
|
[MN]D:702 |
1 |
1 |
123 |
f |
D |
x,y,z |
1_555 |
11 |
5 |
14144 |
43.8 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.010 |
| 24 |
29 |
|
[K]C:704 |
1 |
1 |
216 |
f |
[PO4]C:701 |
x,y,z |
1_555 |
4 |
1 |
188 |
42.6 |
-23.9 |
0.000 |
0 |
0 |
0 |
0.099 |
| 25 |
30 |
|
[K]D:704 |
1 |
1 |
216 |
f |
[PO4]D:701 |
x,y,z |
1_555 |
4 |
1 |
187 |
42.5 |
-22.8 |
0.000 |
0 |
0 |
0 |
0.088 |
| 26 |
31 |
|
[K]A:704 |
1 |
1 |
216 |
f |
[PO4]A:701 |
x,y,z |
1_555 |
4 |
1 |
188 |
42.1 |
-22.6 |
0.000 |
0 |
0 |
0 |
0.173 |
32 |
|
[K]B:704 |
1 |
1 |
216 |
f |
[PO4]B:701 |
x,y,z |
1_555 |
4 |
1 |
190 |
38.6 |
-21.2 |
0.000 |
0 |
0 |
0 |
0.173 |
| Average: |
40.3 |
-21.9 |
0.000 |
0 |
0 |
0 |
0.173 |
| 27 |
33 |
|
[MN]D:703 |
1 |
1 |
123 |
cf |
D |
x,y,z |
1_555 |
9 |
7 |
14144 |
42.0 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.026 |
34 |
|
[MN]C:703 |
1 |
1 |
123 |
f |
C |
x,y,z |
1_555 |
8 |
7 |
14094 |
39.9 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.026 |
35 |
|
[MN]B:703 |
1 |
1 |
123 |
cf |
B |
x,y,z |
1_555 |
9 |
6 |
14471 |
38.8 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.026 |
36 |
|
[MN]A:703 |
1 |
1 |
123 |
f |
A |
x,y,z |
1_555 |
9 |
7 |
14304 |
38.8 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.026 |
| Average: |
39.9 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.026 |
| 28 |
37 |
|
A |
6 |
4 |
14304 |
◊ |
D |
x,y-1,z |
1_545 |
6 |
3 |
14144 |
41.8 |
0.2 |
0.484 |
0 |
0 |
0 |
0.000 |
| 29 |
38 |
|
[MN]B:702 |
1 |
1 |
123 |
f |
B |
x,y,z |
1_555 |
10 |
8 |
14471 |
38.1 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.026 |
39 |
|
[MN]C:702 |
1 |
1 |
123 |
f |
C |
x,y,z |
1_555 |
12 |
10 |
14094 |
36.4 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.026 |
40 |
|
[MN]A:702 |
1 |
1 |
123 |
f |
A |
x,y,z |
1_555 |
8 |
8 |
14304 |
35.2 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.026 |
| Average: |
36.6 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.026 |
| 30 |
41 |
|
A |
6 |
3 |
14304 |
◊ |
D |
x-1/2,-y+3/2,-z+1 |
4_466 |
4 |
1 |
14144 |
31.5 |
0.5 |
0.754 |
1 |
0 |
0 |
0.000 |
| 31 |
42 |
|
[K]D:704 |
1 |
1 |
216 |
f |
[MN]D:702 |
x,y,z |
1_555 |
1 |
1 |
123 |
29.6 |
-13.3 |
0.000 |
0 |
0 |
0 |
0.051 |
| 32 |
43 |
|
[MN]A:703 |
1 |
1 |
123 |
f |
[PO4]A:701 |
x,y,z |
1_555 |
4 |
1 |
188 |
27.6 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.011 |
| 33 |
44 |
|
[MN]B:703 |
1 |
1 |
123 |
cf |
[PO4]B:701 |
x,y,z |
1_555 |
4 |
1 |
190 |
27.0 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.022 |
45 |
|
[MN]C:703 |
1 |
1 |
123 |
f |
[PO4]C:701 |
x,y,z |
1_555 |
4 |
1 |
188 |
25.7 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.022 |
46 |
|
[MN]A:702 |
1 |
1 |
123 |
f |
[PO4]A:701 |
x,y,z |
1_555 |
3 |
1 |
188 |
23.0 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.022 |
| Average: |
25.2 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.022 |
| 34 |
47 |
|
[K]A:704 |
1 |
1 |
216 |
f |
[MN]A:702 |
x,y,z |
1_555 |
1 |
1 |
123 |
25.8 |
-13.9 |
0.000 |
0 |
0 |
0 |
0.055 |
| 35 |
48 |
|
[MN]D:703 |
1 |
1 |
123 |
f |
[PO4]D:701 |
x,y,z |
1_555 |
4 |
1 |
187 |
25.5 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.017 |
49 |
|
[MN]C:702 |
1 |
1 |
123 |
cf |
[PO4]C:701 |
x,y,z |
1_555 |
3 |
1 |
188 |
24.2 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.017 |
| Average: |
24.9 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.017 |
| 36 |
50 |
|
[PO4]B:701 |
4 |
1 |
190 |
◊ |
D |
x-1/2,-y+3/2,-z+1 |
4_466 |
4 |
3 |
14144 |
25.3 |
-0.6 |
0.940 |
1 |
0 |
0 |
0.004 |
| 37 |
51 |
|
[K]D:704 |
1 |
1 |
216 |
f |
[MN]D:703 |
x,y,z |
1_555 |
1 |
1 |
123 |
25.0 |
-12.7 |
0.000 |
0 |
0 |
0 |
0.049 |
| 38 |
52 |
|
[MN]D:702 |
1 |
1 |
123 |
f |
[PO4]D:701 |
x,y,z |
1_555 |
3 |
1 |
187 |
24.8 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.009 |
| 39 |
53 |
|
[K]C:704 |
1 |
1 |
216 |
f |
[MN]C:702 |
x,y,z |
1_555 |
1 |
1 |
123 |
24.4 |
-13.3 |
0.000 |
0 |
0 |
0 |
0.055 |
| 40 |
54 |
|
[MN]B:702 |
1 |
1 |
123 |
f |
[PO4]B:701 |
x,y,z |
1_555 |
4 |
1 |
190 |
21.0 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.008 |
| 41 |
55 |
|
[MN]B:703 |
1 |
1 |
123 |
f |
[MN]B:702 |
x,y,z |
1_555 |
1 |
1 |
123 |
16.6 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.007 |
| 42 |
56 |
|
[MN]B:702 |
1 |
1 |
123 |
◊ |
D |
x-1/2,-y+3/2,-z+1 |
4_466 |
1 |
1 |
14144 |
16.0 |
-0.0 |
0.000 |
0 |
0 |
0 |
0.000 |
57 |
|
[MN]B:703 |
1 |
1 |
123 |
◊ |
D |
x-1/2,-y+3/2,-z+1 |
4_466 |
1 |
1 |
14144 |
3.4 |
-0.0 |
0.000 |
0 |
0 |
0 |
0.000 |
| Average: |
9.7 |
-0.0 |
0.000 |
0 |
0 |
0 |
0.000 |
| 43 |
58 |
|
[K]B:704 |
1 |
1 |
216 |
f |
[MN]B:703 |
x,y,z |
1_555 |
1 |
1 |
123 |
15.9 |
-9.6 |
0.000 |
0 |
0 |
0 |
0.040 |
| 44 |
59 |
|
[MN]C:703 |
1 |
1 |
123 |
f |
[MN]C:702 |
x,y,z |
1_555 |
1 |
1 |
123 |
15.2 |
-1.5 |
0.000 |
0 |
0 |
0 |
0.006 |
| 45 |
60 |
|
[K]A:704 |
1 |
1 |
216 |
f |
[MN]A:703 |
x,y,z |
1_555 |
1 |
1 |
123 |
13.9 |
-8.0 |
0.000 |
0 |
0 |
0 |
0.032 |
| 46 |
61 |
|
[CIT]D:705 |
3 |
1 |
308 |
◊ |
A |
x,y,z |
1_555 |
2 |
2 |
14304 |
13.5 |
0.4 |
0.554 |
0 |
0 |
0 |
0.000 |
| 47 |
62 |
|
[K]C:704 |
1 |
1 |
216 |
f |
[MN]C:703 |
x,y,z |
1_555 |
1 |
1 |
123 |
12.7 |
-7.2 |
0.000 |
0 |
0 |
0 |
0.030 |
| 48 |
63 |
|
[MN]A:703 |
1 |
1 |
123 |
f |
[MN]A:702 |
x,y,z |
1_555 |
1 |
1 |
123 |
12.1 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.005 |
| 49 |
64 |
|
[K]B:704 |
1 |
1 |
216 |
f |
[MN]B:702 |
x,y,z |
1_555 |
1 |
1 |
123 |
7.8 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.021 |
| 50 |
65 |
|
[CIT]C:705 |
1 |
1 |
308 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
14471 |
6.2 |
0.3 |
0.576 |
0 |
0 |
0 |
0.000 |
| 51 |
66 |
|
A |
2 |
2 |
14304 |
◊ |
C |
x-1/2,-y+3/2,-z+1 |
4_466 |
1 |
1 |
14094 |
3.4 |
-0.0 |
0.495 |
0 |
0 |
0 |
0.000 |
| 52 |
67 |
|
[MN]D:703 |
1 |
1 |
123 |
f |
[MN]D:702 |
x,y,z |
1_555 |
1 |
1 |
123 |
2.1 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.000 |
| 53 |
68 |
|
[CIT]C:705 |
1 |
1 |
308 |
f |
D |
x,y,z |
1_555 |
1 |
1 |
14144 |
1.3 |
0.1 |
0.349 |
0 |
0 |
0 |
0.000 |
| 54 |
69 |
|
C |
1 |
1 |
14094 |
◊ |
D |
x-1/2,-y+3/2,-z+1 |
4_466 |
1 |
1 |
14144 |
1.3 |
-0.0 |
0.478 |
0 |
0 |
0 |
0.000 |
| 55 |
70 |
|
[CIT]D:705 |
1 |
1 |
308 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
14094 |
0.5 |
0.0 |
0.335 |
0 |
0 |
0 |
0.000 |
|