| ## |
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 |
|
D |
213 |
51 |
11495 |
◊ |
C |
x,y,z |
1_555 |
210 |
52 |
11524 |
2012.1 |
-10.3 |
0.348 |
14 |
0 |
0 |
0.139 |
2 |
|
B |
214 |
52 |
11439 |
◊ |
A |
x,y,z |
1_555 |
216 |
52 |
11527 |
2004.7 |
-11.9 |
0.293 |
13 |
0 |
0 |
0.139 |
3 |
|
F |
212 |
50 |
11466 |
◊ |
E |
x,y,z |
1_555 |
211 |
51 |
11417 |
1985.4 |
-12.4 |
0.284 |
17 |
0 |
0 |
0.139 |
| Average: |
2000.7 |
-11.6 |
0.308 |
15 |
0 |
0 |
0.139 |
| 2 |
4 |
|
E |
117 |
33 |
11417 |
◊ |
D |
x,y,z |
1_555 |
120 |
32 |
11495 |
1174.9 |
-15.3 |
0.052 |
11 |
6 |
0 |
0.597 |
5 |
|
C |
117 |
33 |
11524 |
◊ |
B |
x,y,z |
1_555 |
117 |
32 |
11439 |
1170.7 |
-15.2 |
0.052 |
12 |
6 |
0 |
0.597 |
6 |
|
F |
117 |
31 |
11466 |
◊ |
A |
x,y,z |
1_555 |
117 |
31 |
11527 |
1154.6 |
-15.0 |
0.052 |
12 |
6 |
0 |
0.597 |
| Average: |
1166.7 |
-15.2 |
0.052 |
12 |
6 |
0 |
0.597 |
| 3 |
7 |
|
[IM5]D:501 |
20 |
1 |
444 |
f |
D |
x,y,z |
1_555 |
49 |
20 |
11495 |
264.7 |
3.0 |
0.420 |
2 |
0 |
0 |
0.000 |
8 |
|
[IM5]B:501 |
20 |
1 |
440 |
f |
B |
x,y,z |
1_555 |
49 |
20 |
11439 |
264.7 |
2.9 |
0.418 |
2 |
0 |
0 |
0.000 |
9 |
|
[IM5]A:501 |
20 |
1 |
442 |
f |
A |
x,y,z |
1_555 |
46 |
18 |
11527 |
262.1 |
3.1 |
0.389 |
2 |
0 |
0 |
0.000 |
10 |
|
[IM5]E:501 |
20 |
1 |
440 |
f |
E |
x,y,z |
1_555 |
47 |
20 |
11417 |
260.9 |
2.9 |
0.406 |
2 |
0 |
0 |
0.000 |
11 |
|
[IM5]F:501 |
20 |
1 |
439 |
f |
F |
x,y,z |
1_555 |
48 |
19 |
11466 |
259.8 |
3.0 |
0.400 |
2 |
0 |
0 |
0.000 |
12 |
|
[IM5]C:501 |
20 |
1 |
436 |
f |
C |
x,y,z |
1_555 |
48 |
19 |
11524 |
257.1 |
3.0 |
0.399 |
2 |
0 |
0 |
0.000 |
| Average: |
261.6 |
3.0 |
0.405 |
2 |
0 |
0 |
0.000 |
| 4 |
13 |
|
E |
25 |
7 |
11417 |
◊ |
D |
x-1,y,z |
1_455 |
33 |
10 |
11495 |
264.7 |
-0.1 |
0.629 |
2 |
5 |
0 |
0.000 |
| 5 |
14 |
|
E |
11 |
4 |
11417 |
◊ |
A |
x,y,z |
1_555 |
19 |
4 |
11527 |
155.8 |
-1.2 |
0.351 |
2 |
2 |
0 |
0.020 |
15 |
|
E |
18 |
4 |
11417 |
◊ |
C |
x,y,z |
1_555 |
11 |
4 |
11524 |
139.9 |
-0.6 |
0.484 |
1 |
2 |
0 |
0.020 |
16 |
|
F |
11 |
4 |
11466 |
◊ |
D |
x,y,z |
1_555 |
18 |
4 |
11495 |
134.4 |
-0.8 |
0.433 |
2 |
2 |
0 |
0.020 |
17 |
|
D |
11 |
4 |
11495 |
◊ |
B |
x,y,z |
1_555 |
18 |
4 |
11439 |
134.3 |
-0.6 |
0.481 |
1 |
2 |
0 |
0.020 |
18 |
|
C |
17 |
4 |
11524 |
◊ |
A |
x,y,z |
1_555 |
10 |
4 |
11527 |
133.3 |
-0.8 |
0.440 |
1 |
3 |
0 |
0.020 |
19 |
|
F |
17 |
4 |
11466 |
◊ |
B |
x,y,z |
1_555 |
11 |
4 |
11439 |
131.9 |
-0.6 |
0.482 |
1 |
3 |
0 |
0.020 |
| Average: |
138.2 |
-0.8 |
0.445 |
1 |
2 |
0 |
0.020 |
| 6 |
20 |
|
E |
13 |
6 |
11417 |
◊ |
C |
x-1,y,z+1 |
1_456 |
15 |
5 |
11524 |
119.6 |
-0.2 |
0.590 |
0 |
0 |
0 |
0.000 |
21 |
|
D |
16 |
6 |
11495 |
◊ |
B |
x,y-1,z+1 |
1_546 |
13 |
7 |
11439 |
114.7 |
0.1 |
0.619 |
1 |
0 |
0 |
0.000 |
22 |
|
E |
17 |
5 |
11417 |
◊ |
A |
x,y-1,z+1 |
1_546 |
13 |
5 |
11527 |
111.4 |
-0.4 |
0.553 |
0 |
0 |
0 |
0.000 |
23 |
|
F |
15 |
6 |
11466 |
◊ |
D |
x-1,y+1,z |
1_465 |
14 |
6 |
11495 |
106.9 |
-1.1 |
0.424 |
0 |
0 |
0 |
0.000 |
24 |
|
A |
16 |
6 |
11527 |
◊ |
C |
x-1,y+1,z |
1_465 |
13 |
6 |
11524 |
105.8 |
-0.6 |
0.522 |
0 |
0 |
0 |
0.000 |
25 |
|
F |
15 |
6 |
11466 |
◊ |
B |
x-1,y,z+1 |
1_456 |
16 |
6 |
11439 |
101.7 |
-1.1 |
0.450 |
0 |
0 |
0 |
0.000 |
| Average: |
110.0 |
-0.6 |
0.527 |
0 |
0 |
0 |
0.000 |
| 7 |
26 |
|
D |
10 |
3 |
11495 |
◊ |
F |
x,y-1,z |
1_545 |
17 |
5 |
11466 |
118.1 |
2.1 |
0.862 |
2 |
1 |
0 |
0.000 |
| 8 |
27 |
|
F |
8 |
4 |
11466 |
◊ |
D |
x-1,y,z |
1_455 |
11 |
3 |
11495 |
83.6 |
1.3 |
0.801 |
3 |
2 |
0 |
0.000 |
| 9 |
28 |
|
[K]C:275 |
1 |
1 |
216 |
◊ |
D |
x,y,z |
1_555 |
16 |
7 |
11495 |
81.1 |
-54.1 |
0.000 |
0 |
0 |
0 |
0.772 |
29 |
|
[K]A:275 |
1 |
1 |
216 |
◊ |
A |
x,y,z |
1_555 |
12 |
6 |
11527 |
79.6 |
-54.2 |
0.000 |
0 |
0 |
0 |
0.772 |
30 |
|
[K]E:275 |
1 |
1 |
216 |
◊ |
F |
x,y,z |
1_555 |
13 |
5 |
11466 |
79.0 |
-53.7 |
0.000 |
0 |
0 |
0 |
0.772 |
31 |
|
[K]E:275 |
1 |
1 |
216 |
◊ |
E |
x,y,z |
1_555 |
13 |
6 |
11417 |
78.9 |
-54.0 |
0.000 |
0 |
0 |
0 |
0.772 |
32 |
|
[K]A:275 |
1 |
1 |
216 |
◊ |
B |
x,y,z |
1_555 |
14 |
6 |
11439 |
78.6 |
-53.5 |
0.000 |
0 |
0 |
0 |
0.772 |
33 |
|
[K]C:275 |
1 |
1 |
216 |
◊ |
C |
x,y,z |
1_555 |
13 |
5 |
11524 |
78.3 |
-53.6 |
0.000 |
0 |
0 |
0 |
0.772 |
| Average: |
79.2 |
-53.9 |
0.000 |
0 |
0 |
0 |
0.772 |
| 10 |
34 |
|
[PO4]B:502 |
5 |
1 |
188 |
f |
B |
x,y,z |
1_555 |
18 |
9 |
11439 |
79.2 |
-4.4 |
0.829 |
7 |
0 |
0 |
0.210 |
35 |
|
[PO4]D:502 |
5 |
1 |
188 |
f |
D |
x,y,z |
1_555 |
19 |
9 |
11495 |
77.8 |
-4.4 |
0.827 |
7 |
0 |
0 |
0.210 |
| Average: |
78.5 |
-4.4 |
0.828 |
7 |
0 |
0 |
0.210 |
| 11 |
36 |
|
[PO4]F:502 |
5 |
1 |
188 |
f |
F |
x,y,z |
1_555 |
17 |
8 |
11466 |
79.0 |
-4.4 |
0.830 |
7 |
0 |
0 |
0.208 |
| 12 |
37 |
|
[PO4]A:502 |
5 |
1 |
187 |
f |
A |
x,y,z |
1_555 |
17 |
8 |
11527 |
78.9 |
-4.5 |
0.822 |
7 |
0 |
0 |
0.210 |
| 13 |
38 |
|
[PO4]C:502 |
5 |
1 |
190 |
f |
C |
x,y,z |
1_555 |
18 |
9 |
11524 |
78.5 |
-4.4 |
0.824 |
6 |
0 |
0 |
0.196 |
| 14 |
39 |
|
[PO4]E:502 |
5 |
1 |
188 |
f |
E |
x,y,z |
1_555 |
17 |
8 |
11417 |
78.3 |
-4.6 |
0.826 |
8 |
0 |
0 |
0.221 |
| 15 |
40 |
|
[IM5]A:501 |
7 |
1 |
442 |
◊ |
B |
x,y,z |
1_555 |
10 |
4 |
11439 |
67.4 |
1.7 |
0.352 |
1 |
0 |
0 |
0.000 |
41 |
|
[IM5]C:501 |
6 |
1 |
436 |
◊ |
D |
x,y,z |
1_555 |
10 |
4 |
11495 |
67.1 |
1.7 |
0.421 |
1 |
0 |
0 |
0.000 |
42 |
|
[IM5]F:501 |
7 |
1 |
439 |
◊ |
E |
x,y,z |
1_555 |
10 |
4 |
11417 |
66.3 |
1.6 |
0.347 |
1 |
0 |
0 |
0.000 |
43 |
|
[IM5]B:501 |
7 |
1 |
440 |
◊ |
A |
x,y,z |
1_555 |
11 |
4 |
11527 |
65.1 |
1.5 |
0.341 |
1 |
0 |
0 |
0.000 |
44 |
|
[IM5]E:501 |
6 |
1 |
440 |
◊ |
F |
x,y,z |
1_555 |
10 |
4 |
11466 |
63.9 |
1.5 |
0.382 |
1 |
0 |
0 |
0.000 |
45 |
|
[IM5]D:501 |
6 |
1 |
444 |
◊ |
C |
x,y,z |
1_555 |
10 |
4 |
11524 |
63.7 |
1.4 |
0.370 |
1 |
0 |
0 |
0.000 |
| Average: |
65.6 |
1.6 |
0.369 |
1 |
0 |
0 |
0.000 |
| 16 |
46 |
|
A |
8 |
3 |
11527 |
◊ |
B |
x-1,y,z |
1_455 |
8 |
3 |
11439 |
64.6 |
1.8 |
0.862 |
1 |
0 |
0 |
0.000 |
| 17 |
47 |
|
[IM5]C:501 |
6 |
1 |
436 |
f |
[PO4]C:502 |
x,y,z |
1_555 |
4 |
1 |
190 |
41.8 |
-2.0 |
0.336 |
0 |
0 |
0 |
0.056 |
| 18 |
48 |
|
[IM5]F:501 |
6 |
1 |
439 |
f |
[PO4]F:502 |
x,y,z |
1_555 |
4 |
1 |
188 |
41.2 |
-2.0 |
0.318 |
0 |
0 |
0 |
0.056 |
| 19 |
49 |
|
[IM5]E:501 |
6 |
1 |
440 |
f |
[PO4]E:502 |
x,y,z |
1_555 |
4 |
1 |
188 |
40.9 |
-2.1 |
0.322 |
0 |
0 |
0 |
0.057 |
| 20 |
50 |
|
[IM5]D:501 |
6 |
1 |
444 |
f |
[PO4]D:502 |
x,y,z |
1_555 |
4 |
1 |
188 |
40.8 |
-2.1 |
0.333 |
0 |
0 |
0 |
0.056 |
51 |
|
[IM5]B:501 |
6 |
1 |
440 |
f |
[PO4]B:502 |
x,y,z |
1_555 |
4 |
1 |
188 |
40.2 |
-2.0 |
0.335 |
0 |
0 |
0 |
0.056 |
| Average: |
40.5 |
-2.0 |
0.334 |
0 |
0 |
0 |
0.056 |
| 21 |
52 |
|
[IM5]A:501 |
6 |
1 |
442 |
f |
[PO4]A:502 |
x,y,z |
1_555 |
4 |
1 |
187 |
40.7 |
-2.0 |
0.317 |
0 |
0 |
0 |
0.057 |
| 22 |
53 |
|
[PO4]C:502 |
3 |
1 |
190 |
◊ |
D |
x,y,z |
1_555 |
3 |
1 |
11495 |
33.6 |
-0.6 |
0.923 |
2 |
0 |
0 |
0.011 |
| 23 |
54 |
|
[PO4]F:502 |
3 |
1 |
188 |
◊ |
E |
x,y,z |
1_555 |
3 |
1 |
11417 |
32.9 |
-0.6 |
0.921 |
2 |
0 |
0 |
0.010 |
| 24 |
55 |
|
[PO4]B:502 |
3 |
1 |
188 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
11527 |
32.3 |
-0.6 |
0.918 |
2 |
0 |
0 |
0.011 |
56 |
|
[PO4]D:502 |
3 |
1 |
188 |
◊ |
C |
x,y,z |
1_555 |
3 |
1 |
11524 |
31.1 |
-0.6 |
0.919 |
2 |
0 |
0 |
0.011 |
| Average: |
31.7 |
-0.6 |
0.918 |
2 |
0 |
0 |
0.011 |
| 25 |
57 |
|
[PO4]A:502 |
3 |
1 |
187 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
11439 |
31.6 |
-0.5 |
0.923 |
3 |
0 |
0 |
0.013 |
| 26 |
58 |
|
[PO4]E:502 |
3 |
1 |
188 |
◊ |
F |
x,y,z |
1_555 |
3 |
1 |
11466 |
31.2 |
-0.6 |
0.918 |
2 |
0 |
0 |
0.010 |
| 27 |
59 |
|
A |
3 |
1 |
11527 |
◊ |
D |
x-1,y,z |
1_455 |
2 |
1 |
11495 |
30.9 |
0.7 |
0.851 |
1 |
1 |
0 |
0.000 |
| 28 |
60 |
|
C |
5 |
3 |
11524 |
◊ |
A |
x,y-1,z |
1_545 |
5 |
4 |
11527 |
24.7 |
1.0 |
0.827 |
0 |
0 |
0 |
0.000 |
| 29 |
61 |
|
A |
3 |
1 |
11527 |
◊ |
C |
x-1,y,z |
1_455 |
3 |
2 |
11524 |
18.9 |
0.4 |
0.754 |
0 |
0 |
0 |
0.000 |
|