## |
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 |
|
E |
138 |
35 |
12478 |
◊ |
A |
x,y,z |
1_555 |
171 |
47 |
17534 |
1541.1 |
-17.8 |
0.160 |
22 |
7 |
0 |
0.409 |
2 |
2 |
|
B |
144 |
39 |
17955 |
◊ |
A |
x,y,z |
1_555 |
148 |
36 |
17534 |
1384.6 |
-15.5 |
0.068 |
15 |
10 |
0 |
0.291 |
3 |
|
D |
146 |
39 |
17432 |
◊ |
C |
x,y,z |
1_555 |
145 |
36 |
17785 |
1343.9 |
-11.7 |
0.198 |
13 |
9 |
0 |
0.291 |
Average: |
1364.2 |
-13.6 |
0.133 |
14 |
10 |
0 |
0.291 |
3 |
4 |
|
B |
91 |
26 |
17955 |
◊ |
C |
x,y,z |
1_555 |
111 |
30 |
17785 |
876.3 |
-9.6 |
0.150 |
16 |
3 |
0 |
0.081 |
4 |
5 |
|
D |
85 |
23 |
17432 |
◊ |
F |
-x,y-1/2,-z+1/2 |
3_545 |
85 |
24 |
17172 |
778.0 |
4.2 |
0.806 |
14 |
4 |
0 |
0.000 |
5 |
6 |
|
E |
74 |
16 |
12478 |
◊ |
C |
x,y,z |
1_555 |
80 |
23 |
17785 |
769.0 |
-9.3 |
0.198 |
8 |
5 |
0 |
0.355 |
6 |
7 |
|
F |
77 |
21 |
17172 |
◊ |
A |
x,y,z |
1_555 |
87 |
22 |
17534 |
740.2 |
-1.1 |
0.632 |
6 |
5 |
0 |
0.000 |
7 |
8 |
|
E |
56 |
17 |
12478 |
◊ |
D |
x,y,z |
1_555 |
79 |
23 |
17432 |
672.1 |
-2.9 |
0.571 |
6 |
5 |
0 |
0.074 |
8 |
9 |
|
E |
61 |
15 |
12478 |
◊ |
B |
x,y,z |
1_555 |
81 |
21 |
17955 |
656.8 |
-2.8 |
0.556 |
5 |
6 |
0 |
0.053 |
9 |
10 |
|
C |
62 |
20 |
17785 |
◊ |
E |
x-1/2,-y+1/2,-z |
4_455 |
48 |
13 |
12478 |
505.6 |
-1.5 |
0.618 |
7 |
5 |
0 |
0.000 |
10 |
11 |
|
F |
49 |
13 |
17172 |
◊ |
B |
x,y,z |
1_555 |
48 |
13 |
17955 |
478.6 |
1.1 |
0.711 |
4 |
1 |
0 |
0.000 |
11 |
12 |
|
[ACP]F:401 |
31 |
1 |
619 |
f |
F |
x,y,z |
1_555 |
56 |
23 |
17172 |
416.1 |
0.5 |
0.690 |
10 |
0 |
0 |
0.029 |
12 |
13 |
|
[GTP]A:501 |
32 |
1 |
629 |
f |
A |
x,y,z |
1_555 |
68 |
29 |
17534 |
415.6 |
-3.2 |
0.540 |
19 |
0 |
0 |
0.304 |
14 |
|
[GTP]C:501 |
32 |
1 |
632 |
f |
C |
x,y,z |
1_555 |
67 |
30 |
17785 |
406.5 |
-2.8 |
0.584 |
20 |
0 |
0 |
0.304 |
Average: |
411.0 |
-3.0 |
0.562 |
20 |
0 |
0 |
0.304 |
13 |
15 |
|
[GDP]D:501 |
27 |
1 |
563 |
f |
D |
x,y,z |
1_555 |
64 |
27 |
17432 |
402.5 |
-7.1 |
0.509 |
11 |
0 |
0 |
0.181 |
16 |
|
[GDP]B:501 |
27 |
1 |
560 |
f |
B |
x,y,z |
1_555 |
63 |
28 |
17955 |
396.7 |
-6.6 |
0.558 |
14 |
0 |
0 |
0.181 |
Average: |
399.6 |
-6.9 |
0.533 |
13 |
0 |
0 |
0.181 |
14 |
17 |
|
C |
33 |
12 |
17785 |
◊ |
A |
-x+1/2,-y+1,z-1/2 |
2_564 |
34 |
12 |
17534 |
315.2 |
-1.3 |
0.495 |
2 |
1 |
0 |
0.000 |
15 |
18 |
|
C |
37 |
10 |
17785 |
◊ |
A |
-x,y-1/2,-z+1/2 |
3_545 |
36 |
10 |
17534 |
314.5 |
-0.0 |
0.663 |
1 |
1 |
0 |
0.000 |
16 |
19 |
|
B |
26 |
6 |
17955 |
◊ |
D |
x-1/2,-y+1/2,-z |
4_455 |
30 |
8 |
17432 |
249.5 |
-0.9 |
0.491 |
1 |
4 |
0 |
0.000 |
17 |
20 |
|
C |
33 |
12 |
17785 |
◊ |
E |
-x+1/2,-y+1,z-1/2 |
2_564 |
26 |
5 |
12478 |
244.5 |
-1.0 |
0.556 |
3 |
0 |
0 |
0.000 |
18 |
21 |
|
D |
23 |
7 |
17432 |
◊ |
A |
x-1/2,-y+1/2,-z |
4_455 |
28 |
10 |
17534 |
240.0 |
0.6 |
0.685 |
1 |
5 |
0 |
0.000 |
19 |
22 |
|
C |
27 |
7 |
17785 |
◊ |
B |
x-1/2,-y+1/2,-z |
4_455 |
31 |
10 |
17955 |
213.0 |
0.2 |
0.665 |
1 |
1 |
0 |
0.000 |
20 |
23 |
|
[9KS]B:506 |
11 |
1 |
304 |
◊ |
B |
x,y,z |
1_555 |
28 |
15 |
17955 |
199.6 |
4.6 |
0.202 |
0 |
0 |
0 |
0.000 |
21 |
24 |
|
[MES]B:504 |
12 |
1 |
332 |
◊ |
B |
x,y,z |
1_555 |
30 |
12 |
17955 |
193.3 |
6.9 |
0.385 |
0 |
0 |
0 |
0.000 |
22 |
25 |
|
D |
21 |
7 |
17432 |
◊ |
E |
x-1/2,-y+1/2,-z |
4_455 |
18 |
9 |
12478 |
189.8 |
4.0 |
0.912 |
4 |
5 |
0 |
0.000 |
23 |
26 |
|
B |
18 |
6 |
17955 |
◊ |
E |
x-1/2,-y+1/2,-z |
4_455 |
17 |
9 |
12478 |
154.9 |
0.8 |
0.745 |
1 |
3 |
0 |
0.000 |
24 |
27 |
|
[9KS]B:505 |
11 |
1 |
307 |
◊ |
B |
x,y,z |
1_555 |
23 |
7 |
17955 |
153.5 |
4.6 |
0.168 |
1 |
0 |
0 |
0.000 |
25 |
28 |
|
A |
12 |
4 |
17534 |
◊ |
F |
-x+1/2,-y+1,z-1/2 |
2_564 |
11 |
3 |
17172 |
111.7 |
0.5 |
0.552 |
2 |
2 |
0 |
0.000 |
26 |
29 |
|
[9KS]B:505 |
9 |
1 |
307 |
f |
C |
x,y,z |
1_555 |
17 |
4 |
17785 |
105.3 |
3.1 |
0.150 |
1 |
0 |
0 |
0.000 |
27 |
30 |
|
C |
7 |
3 |
17785 |
x |
C |
x-1/2,-y+1/2,-z |
4_455 |
17 |
8 |
17785 |
81.5 |
1.5 |
0.793 |
3 |
0 |
0 |
0.000 |
28 |
31 |
|
B |
8 |
4 |
17955 |
◊ |
E |
-x+1/2,-y+1,z-1/2 |
2_564 |
4 |
2 |
12478 |
61.0 |
-0.9 |
0.355 |
0 |
0 |
0 |
0.000 |
29 |
32 |
|
[GTP]C:501 |
10 |
1 |
632 |
◊ |
D |
x,y,z |
1_555 |
4 |
2 |
17432 |
57.0 |
1.0 |
0.786 |
1 |
0 |
0 |
0.000 |
33 |
|
[GTP]A:501 |
5 |
1 |
629 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
17955 |
34.1 |
0.7 |
0.765 |
1 |
0 |
0 |
0.000 |
Average: |
45.5 |
0.9 |
0.775 |
1 |
0 |
0 |
0.000 |
30 |
34 |
|
[MG]B:502 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
8 |
4 |
17955 |
50.8 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.076 |
35 |
|
[MG]D:502 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
5 |
3 |
17432 |
48.5 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.076 |
Average: |
49.6 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.076 |
31 |
36 |
|
[MG]A:502 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
12 |
6 |
17534 |
43.3 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.122 |
37 |
|
[MG]C:502 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
13 |
6 |
17785 |
41.8 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.122 |
Average: |
42.5 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.122 |
32 |
38 |
|
[CA]A:503 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
1 |
1 |
17534 |
42.5 |
-12.7 |
0.000 |
0 |
0 |
0 |
0.182 |
33 |
39 |
|
[MG]F:402 |
1 |
1 |
98 |
f |
F |
x,y,z |
1_555 |
5 |
3 |
17172 |
42.5 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.036 |
34 |
40 |
|
[MES]B:504 |
5 |
1 |
332 |
◊ |
A |
x,y,z |
1_555 |
5 |
3 |
17534 |
42.1 |
0.3 |
0.055 |
0 |
0 |
0 |
0.000 |
35 |
41 |
|
[9KS]B:506 |
3 |
1 |
304 |
f |
A |
x,y,z |
1_555 |
4 |
1 |
17534 |
40.4 |
0.9 |
0.253 |
0 |
0 |
0 |
0.000 |
36 |
42 |
|
[CA]A:504 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
10 |
6 |
17534 |
39.1 |
-6.6 |
0.000 |
0 |
0 |
0 |
0.094 |
37 |
43 |
|
C |
9 |
5 |
17785 |
f |
[CA]B:503 |
x-1/2,-y+1/2,-z |
4_455 |
1 |
1 |
85 |
37.4 |
-6.6 |
0.000 |
0 |
0 |
0 |
0.173 |
38 |
44 |
|
[ACP]F:401 |
3 |
1 |
619 |
f |
[MG]F:402 |
x,y,z |
1_555 |
1 |
1 |
98 |
35.8 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.035 |
39 |
45 |
|
[GDP]D:501 |
5 |
1 |
563 |
f |
[MG]D:502 |
x,y,z |
1_555 |
1 |
1 |
98 |
33.6 |
-5.3 |
0.000 |
0 |
0 |
0 |
0.080 |
46 |
|
[GDP]B:501 |
7 |
1 |
560 |
f |
[MG]B:502 |
x,y,z |
1_555 |
1 |
1 |
98 |
31.0 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.080 |
Average: |
32.3 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.080 |
40 |
47 |
|
[MG]C:502 |
1 |
1 |
98 |
f |
[GTP]C:501 |
x,y,z |
1_555 |
5 |
1 |
632 |
32.8 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.117 |
48 |
|
[MG]A:502 |
1 |
1 |
98 |
f |
[GTP]A:501 |
x,y,z |
1_555 |
5 |
1 |
629 |
31.9 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.117 |
Average: |
32.3 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.117 |
41 |
49 |
|
[CA]B:503 |
1 |
1 |
85 |
◊ |
B |
x,y,z |
1_555 |
4 |
2 |
17955 |
30.1 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.000 |
42 |
50 |
|
B |
1 |
1 |
17955 |
◊ |
F |
-x+1/2,-y+1,z-1/2 |
2_564 |
3 |
1 |
17172 |
23.6 |
-0.7 |
0.150 |
0 |
0 |
0 |
0.000 |
43 |
51 |
|
[CA]A:504 |
1 |
1 |
85 |
◊ |
E |
x,y,z |
1_555 |
3 |
1 |
12478 |
16.5 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.034 |
44 |
52 |
|
[MG]C:502 |
1 |
1 |
98 |
◊ |
D |
x,y,z |
1_555 |
2 |
1 |
17432 |
13.3 |
-0.7 |
0.000 |
0 |
0 |
0 |
0.011 |
53 |
|
[MG]A:502 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
17955 |
12.4 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.011 |
Average: |
12.9 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.011 |
45 |
54 |
|
[MG]B:502 |
1 |
1 |
98 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
17785 |
7.6 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.003 |
46 |
55 |
|
[MES]B:504 |
1 |
1 |
332 |
f |
E |
x,y,z |
1_555 |
1 |
1 |
12478 |
5.2 |
0.1 |
0.323 |
0 |
0 |
0 |
0.000 |
|