## |
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 |
379 |
96 |
14068 |
◊ |
A |
x,y,z |
1_555 |
366 |
94 |
14476 |
3653.0 |
-56.6 |
0.013 |
34 |
7 |
0 |
0.472 |
2 |
|
D |
369 |
95 |
14105 |
◊ |
C |
x,y,z |
1_555 |
370 |
94 |
13970 |
3643.4 |
-59.9 |
0.003 |
36 |
6 |
0 |
0.472 |
Average: |
3648.2 |
-58.2 |
0.008 |
35 |
7 |
0 |
0.472 |
2 |
3 |
|
A |
50 |
16 |
14476 |
◊ |
B |
-x+1/2,y-1/2,-z+1 |
4_546 |
60 |
17 |
14068 |
527.3 |
-4.5 |
0.456 |
8 |
4 |
0 |
0.000 |
3 |
4 |
|
C |
48 |
13 |
13970 |
◊ |
A |
x,y,z |
1_555 |
45 |
12 |
14476 |
445.7 |
-1.5 |
0.671 |
5 |
0 |
0 |
0.000 |
5 |
|
D |
46 |
13 |
14105 |
◊ |
B |
x,y,z |
1_555 |
47 |
14 |
14068 |
441.4 |
-1.6 |
0.653 |
5 |
0 |
0 |
0.000 |
Average: |
443.6 |
-1.6 |
0.662 |
5 |
0 |
0 |
0.000 |
4 |
6 |
|
D |
57 |
19 |
14105 |
◊ |
A |
x,y,z |
1_555 |
58 |
19 |
14476 |
444.2 |
-0.1 |
0.785 |
4 |
2 |
0 |
0.000 |
7 |
|
C |
38 |
15 |
13970 |
◊ |
B |
x,y,z |
1_555 |
35 |
14 |
14068 |
278.7 |
4.8 |
0.970 |
2 |
0 |
0 |
0.000 |
Average: |
361.4 |
2.3 |
0.877 |
3 |
1 |
0 |
0.000 |
5 |
8 |
|
C |
28 |
6 |
13970 |
◊ |
B |
x-1/2,y-1/2,z |
3_445 |
31 |
11 |
14068 |
291.3 |
-2.1 |
0.523 |
3 |
0 |
0 |
0.000 |
9 |
|
B |
26 |
5 |
14068 |
◊ |
C |
x,y,z-1 |
1_554 |
29 |
11 |
13970 |
283.7 |
-1.5 |
0.546 |
4 |
0 |
0 |
0.000 |
10 |
|
A |
34 |
13 |
14476 |
◊ |
D |
x,y,z-1 |
1_554 |
26 |
6 |
14105 |
277.1 |
-2.0 |
0.517 |
3 |
0 |
0 |
0.000 |
11 |
|
D |
33 |
12 |
14105 |
◊ |
A |
x-1/2,y-1/2,z |
3_445 |
32 |
6 |
14476 |
276.5 |
-1.5 |
0.586 |
3 |
0 |
0 |
0.000 |
Average: |
282.1 |
-1.8 |
0.543 |
3 |
0 |
0 |
0.000 |
6 |
12 |
|
A |
26 |
8 |
14476 |
x |
A |
-x+1/2,y-1/2,-z+1 |
4_546 |
26 |
8 |
14476 |
262.5 |
1.0 |
0.807 |
4 |
2 |
0 |
0.000 |
7 |
13 |
|
C |
28 |
7 |
13970 |
◊ |
A |
x-1/2,y-1/2,z |
3_445 |
28 |
7 |
14476 |
216.2 |
-1.8 |
0.563 |
4 |
0 |
0 |
0.000 |
14 |
|
B |
27 |
7 |
14068 |
◊ |
D |
x,y,z-1 |
1_554 |
29 |
7 |
14105 |
211.3 |
-1.5 |
0.591 |
4 |
0 |
0 |
0.000 |
Average: |
213.8 |
-1.7 |
0.577 |
4 |
0 |
0 |
0.000 |
8 |
15 |
|
[MPD]B:306 |
7 |
1 |
275 |
f |
B |
x,y,z |
1_555 |
25 |
11 |
14068 |
146.1 |
-8.6 |
0.817 |
1 |
0 |
0 |
0.051 |
9 |
16 |
|
[MPD]C:305 |
7 |
1 |
278 |
f |
C |
x,y,z |
1_555 |
24 |
8 |
13970 |
137.7 |
-8.8 |
0.545 |
0 |
0 |
0 |
0.054 |
10 |
17 |
|
[MPD]B:305 |
7 |
1 |
278 |
f |
B |
x,y,z |
1_555 |
25 |
10 |
14068 |
137.5 |
-8.7 |
0.593 |
1 |
0 |
0 |
0.052 |
11 |
18 |
|
[MPD]D:304 |
7 |
1 |
277 |
f |
D |
x,y,z |
1_555 |
21 |
8 |
14105 |
125.2 |
-7.9 |
0.535 |
1 |
0 |
0 |
0.051 |
12 |
19 |
|
[GOL]C:303 |
6 |
1 |
221 |
f |
C |
x,y,z |
1_555 |
20 |
9 |
13970 |
121.3 |
-0.5 |
0.560 |
3 |
0 |
0 |
0.011 |
13 |
20 |
|
[GOL]C:304 |
6 |
1 |
218 |
f |
D |
x,y,z |
1_555 |
19 |
9 |
14105 |
116.8 |
-0.4 |
0.582 |
2 |
0 |
0 |
0.008 |
14 |
21 |
|
[GOL]D:303 |
6 |
1 |
219 |
◊ |
D |
x,y,z |
1_555 |
22 |
6 |
14105 |
113.5 |
0.7 |
0.716 |
3 |
0 |
0 |
0.000 |
15 |
22 |
|
[PO4]A:301 |
5 |
1 |
189 |
f |
A |
x,y,z |
1_555 |
17 |
10 |
14476 |
106.3 |
-6.6 |
0.726 |
1 |
0 |
0 |
0.040 |
16 |
23 |
|
[PO4]C:301 |
5 |
1 |
188 |
f |
C |
x,y,z |
1_555 |
19 |
9 |
13970 |
104.8 |
-6.3 |
0.734 |
1 |
0 |
0 |
0.041 |
17 |
24 |
|
[PO4]B:301 |
5 |
1 |
189 |
f |
B |
x,y,z |
1_555 |
19 |
9 |
14068 |
101.7 |
-6.2 |
0.731 |
1 |
0 |
0 |
0.037 |
18 |
25 |
|
[PO4]A:305 |
5 |
1 |
187 |
f |
A |
x,y,z |
1_555 |
20 |
6 |
14476 |
101.5 |
-6.1 |
0.780 |
1 |
0 |
0 |
0.037 |
19 |
26 |
|
[PO4]D:301 |
5 |
1 |
187 |
f |
D |
x,y,z |
1_555 |
19 |
9 |
14105 |
98.1 |
-5.8 |
0.714 |
1 |
0 |
0 |
0.038 |
20 |
27 |
|
[PO4]A:303 |
5 |
1 |
189 |
f |
A |
x,y,z |
1_555 |
16 |
9 |
14476 |
97.9 |
-6.0 |
0.736 |
1 |
0 |
0 |
0.036 |
21 |
28 |
|
[PO4]A:302 |
5 |
1 |
189 |
f |
A |
x,y,z |
1_555 |
13 |
8 |
14476 |
84.0 |
-5.5 |
0.663 |
1 |
0 |
0 |
0.034 |
22 |
29 |
|
A |
12 |
3 |
14476 |
◊ |
C |
x,y,z-1 |
1_554 |
9 |
2 |
13970 |
81.7 |
0.3 |
0.711 |
1 |
1 |
0 |
0.000 |
30 |
|
D |
7 |
1 |
14105 |
◊ |
B |
x-1/2,y-1/2,z |
3_445 |
9 |
2 |
14068 |
76.5 |
0.2 |
0.665 |
1 |
1 |
0 |
0.000 |
Average: |
79.1 |
0.3 |
0.688 |
1 |
1 |
0 |
0.000 |
23 |
31 |
|
[MPD]B:306 |
5 |
1 |
275 |
◊ |
A |
x,y,z |
1_555 |
9 |
3 |
14476 |
79.7 |
-4.4 |
0.726 |
2 |
0 |
0 |
0.030 |
24 |
32 |
|
[MPD]B:304 |
7 |
1 |
279 |
f |
D |
x,y,z |
1_555 |
11 |
5 |
14105 |
77.8 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.028 |
25 |
33 |
|
[MPD]C:305 |
4 |
1 |
278 |
◊ |
D |
x,y,z |
1_555 |
9 |
4 |
14105 |
73.9 |
-4.7 |
0.413 |
0 |
0 |
0 |
0.029 |
26 |
34 |
|
[MPD]D:304 |
5 |
1 |
277 |
◊ |
C |
x,y,z |
1_555 |
8 |
3 |
13970 |
67.1 |
-4.2 |
0.391 |
0 |
0 |
0 |
0.026 |
27 |
35 |
|
[GOL]C:303 |
5 |
1 |
221 |
◊ |
D |
x,y,z |
1_555 |
9 |
3 |
14105 |
66.3 |
-0.4 |
0.525 |
0 |
0 |
0 |
0.003 |
28 |
36 |
|
[GOL]C:304 |
5 |
1 |
218 |
◊ |
C |
x,y,z |
1_555 |
9 |
4 |
13970 |
63.2 |
-0.6 |
0.542 |
1 |
0 |
0 |
0.006 |
29 |
37 |
|
[GOL]B:303 |
5 |
1 |
212 |
f |
B |
x,y,z |
1_555 |
10 |
4 |
14068 |
59.7 |
-0.1 |
0.659 |
2 |
0 |
0 |
0.005 |
30 |
38 |
|
B |
8 |
2 |
14068 |
◊ |
A |
-x+1/2,y-1/2,-z+1 |
4_546 |
6 |
3 |
14476 |
59.6 |
-0.8 |
0.441 |
0 |
0 |
0 |
0.000 |
31 |
39 |
|
[PO4]A:303 |
5 |
1 |
189 |
◊ |
B |
x,y,z |
1_555 |
8 |
3 |
14068 |
59.5 |
-3.0 |
0.807 |
2 |
0 |
0 |
0.022 |
32 |
40 |
|
[MPD]B:305 |
4 |
1 |
278 |
◊ |
A |
x,y,z |
1_555 |
8 |
3 |
14476 |
59.4 |
-3.8 |
0.481 |
0 |
0 |
0 |
0.022 |
33 |
41 |
|
[PO4]A:302 |
4 |
1 |
189 |
◊ |
B |
x,y,z |
1_555 |
7 |
3 |
14068 |
56.5 |
-3.8 |
0.527 |
0 |
0 |
0 |
0.021 |
34 |
42 |
|
[PO4]A:304 |
4 |
1 |
189 |
f |
A |
x,y,z |
1_555 |
9 |
2 |
14476 |
52.9 |
-3.2 |
0.774 |
1 |
0 |
0 |
0.021 |
35 |
43 |
|
[MG]B:302 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
8 |
5 |
14068 |
52.7 |
-9.1 |
0.000 |
0 |
0 |
0 |
0.111 |
44 |
|
[MG]D:302 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
8 |
5 |
14105 |
52.0 |
-9.0 |
0.000 |
0 |
0 |
0 |
0.111 |
45 |
|
[MG]A:306 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
8 |
5 |
14476 |
51.8 |
-9.0 |
0.000 |
0 |
0 |
0 |
0.111 |
46 |
|
[MG]C:302 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
6 |
5 |
13970 |
51.8 |
-9.1 |
0.000 |
0 |
0 |
0 |
0.111 |
Average: |
52.1 |
-9.1 |
0.000 |
0 |
0 |
0 |
0.111 |
36 |
47 |
|
[MPD]B:304 |
5 |
1 |
279 |
◊ |
B |
x,y,z |
1_555 |
5 |
2 |
14068 |
50.7 |
-2.7 |
0.000 |
1 |
0 |
0 |
0.000 |
37 |
48 |
|
B |
7 |
3 |
14068 |
◊ |
[PO4]A:304 |
-x+1/2,y-1/2,-z+1 |
4_546 |
4 |
1 |
189 |
42.1 |
-2.2 |
0.817 |
1 |
0 |
0 |
0.000 |
38 |
49 |
|
[MPD]D:304 |
3 |
1 |
277 |
f |
[MPD]B:304 |
x,y,z |
1_555 |
4 |
1 |
279 |
39.1 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.023 |
39 |
50 |
|
[GOL]B:303 |
5 |
1 |
212 |
◊ |
D |
x,y,z |
1_555 |
3 |
1 |
14105 |
36.3 |
-0.3 |
0.612 |
1 |
0 |
0 |
0.000 |
40 |
51 |
|
A |
6 |
2 |
14476 |
◊ |
[PO4]A:304 |
-x+1/2,y-1/2,-z+1 |
4_546 |
4 |
1 |
189 |
33.6 |
-2.0 |
0.789 |
0 |
0 |
0 |
0.000 |
41 |
52 |
|
[MPD]B:304 |
2 |
1 |
279 |
◊ |
C |
x,y,z |
1_555 |
5 |
1 |
13970 |
33.6 |
-2.3 |
0.527 |
0 |
0 |
0 |
0.014 |
42 |
53 |
|
[MPD]C:305 |
2 |
1 |
278 |
f |
[PO4]C:301 |
x,y,z |
1_555 |
4 |
1 |
188 |
32.2 |
-3.0 |
0.956 |
0 |
0 |
0 |
0.019 |
43 |
54 |
|
[MPD]B:305 |
2 |
1 |
278 |
f |
[PO4]B:301 |
x,y,z |
1_555 |
4 |
1 |
189 |
30.8 |
-2.9 |
0.976 |
0 |
0 |
0 |
0.016 |
44 |
55 |
|
[GOL]B:303 |
2 |
1 |
212 |
◊ |
A |
x,y,z |
1_555 |
5 |
1 |
14476 |
29.5 |
-0.4 |
0.537 |
0 |
0 |
0 |
0.002 |
45 |
56 |
|
[MPD]B:305 |
5 |
1 |
278 |
f |
[GOL]B:303 |
x,y,z |
1_555 |
5 |
1 |
212 |
29.2 |
-1.3 |
0.000 |
0 |
0 |
0 |
0.007 |
46 |
57 |
|
[MPD]D:304 |
3 |
1 |
277 |
f |
[PO4]D:301 |
x,y,z |
1_555 |
4 |
1 |
187 |
29.0 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.017 |
47 |
58 |
|
[GOL]D:303 |
2 |
1 |
219 |
f |
A |
x,y,z |
1_555 |
4 |
2 |
14476 |
26.3 |
-0.4 |
0.471 |
0 |
0 |
0 |
0.002 |
48 |
59 |
|
[PO4]A:301 |
1 |
1 |
189 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
14068 |
22.0 |
-1.6 |
0.331 |
0 |
0 |
0 |
0.009 |
49 |
60 |
|
[PO4]B:301 |
2 |
1 |
189 |
◊ |
A |
x,y,z |
1_555 |
2 |
2 |
14476 |
21.1 |
-1.5 |
0.480 |
0 |
0 |
0 |
0.009 |
50 |
61 |
|
[MPD]C:305 |
1 |
1 |
278 |
◊ |
[GOL]C:304 |
x,y,z |
1_555 |
2 |
1 |
218 |
20.4 |
-1.1 |
0.645 |
0 |
0 |
0 |
0.007 |
51 |
62 |
|
[PO4]C:301 |
1 |
1 |
188 |
◊ |
D |
x,y,z |
1_555 |
2 |
2 |
14105 |
20.4 |
-1.4 |
0.457 |
0 |
0 |
0 |
0.009 |
52 |
63 |
|
[PO4]D:301 |
1 |
1 |
187 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
13970 |
20.3 |
-1.5 |
0.322 |
0 |
0 |
0 |
0.009 |
53 |
64 |
|
[MPD]B:306 |
2 |
1 |
275 |
◊ |
[PO4]A:302 |
x,y,z |
1_555 |
3 |
1 |
189 |
16.8 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.010 |
54 |
65 |
|
[MPD]D:304 |
2 |
1 |
277 |
◊ |
[GOL]C:303 |
x,y,z |
1_555 |
2 |
1 |
221 |
16.5 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.003 |
55 |
66 |
|
[GOL]D:303 |
2 |
1 |
219 |
f |
[PO4]A:305 |
x,y,z |
1_555 |
1 |
1 |
187 |
16.1 |
-1.1 |
0.577 |
0 |
0 |
0 |
0.006 |
56 |
67 |
|
[MPD]B:304 |
3 |
1 |
279 |
f |
[PO4]D:301 |
x,y,z |
1_555 |
2 |
1 |
187 |
13.3 |
-1.3 |
0.000 |
0 |
0 |
0 |
0.008 |
57 |
68 |
|
[MPD]B:305 |
2 |
1 |
278 |
◊ |
[PO4]A:303 |
x,y,z |
1_555 |
3 |
1 |
189 |
11.7 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.006 |
58 |
69 |
|
[MG]A:306 |
1 |
1 |
98 |
f |
[PO4]A:301 |
x,y,z |
1_555 |
1 |
1 |
189 |
6.8 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.006 |
59 |
70 |
|
[MG]D:302 |
1 |
1 |
98 |
f |
[PO4]D:301 |
x,y,z |
1_555 |
1 |
1 |
187 |
6.3 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.006 |
60 |
71 |
|
[MG]C:302 |
1 |
1 |
98 |
f |
[PO4]C:301 |
x,y,z |
1_555 |
1 |
1 |
188 |
6.1 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.006 |
61 |
72 |
|
[MG]B:302 |
1 |
1 |
98 |
f |
[PO4]B:301 |
x,y,z |
1_555 |
1 |
1 |
189 |
5.7 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.005 |
62 |
73 |
|
[PO4]A:305 |
1 |
1 |
187 |
◊ |
D |
x,y,z |
1_555 |
2 |
1 |
14105 |
4.3 |
-0.2 |
0.723 |
0 |
0 |
0 |
0.000 |
63 |
74 |
|
[GOL]B:303 |
1 |
1 |
212 |
f |
[PO4]B:301 |
x,y,z |
1_555 |
2 |
1 |
189 |
3.8 |
-0.2 |
0.693 |
0 |
0 |
0 |
0.000 |
64 |
75 |
|
[PO4]A:302 |
1 |
1 |
189 |
f |
[PO4]A:301 |
x,y,z |
1_555 |
2 |
1 |
189 |
2.2 |
-0.2 |
0.876 |
0 |
0 |
0 |
0.001 |
|