## |
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 |
142 |
35 |
12484 |
◊ |
A |
x,y,z |
1_555 |
177 |
49 |
17594 |
1527.6 |
-18.4 |
0.151 |
21 |
4 |
0 |
0.498 |
2 |
2 |
|
D |
141 |
39 |
17131 |
◊ |
C |
x,y,z |
1_555 |
143 |
35 |
17836 |
1339.2 |
-11.6 |
0.191 |
12 |
10 |
0 |
0.293 |
3 |
|
B |
135 |
35 |
17737 |
◊ |
A |
x,y,z |
1_555 |
147 |
37 |
17594 |
1318.4 |
-14.3 |
0.088 |
13 |
10 |
0 |
0.293 |
Average: |
1328.8 |
-13.0 |
0.139 |
13 |
10 |
0 |
0.293 |
3 |
4 |
|
B |
93 |
28 |
17737 |
◊ |
C |
x,y,z |
1_555 |
110 |
31 |
17836 |
887.9 |
-9.7 |
0.142 |
14 |
3 |
0 |
0.233 |
4 |
5 |
|
D |
86 |
24 |
17131 |
◊ |
F |
-x,y-1/2,-z+1/2 |
3_545 |
86 |
24 |
17318 |
783.3 |
4.0 |
0.788 |
14 |
3 |
0 |
0.000 |
5 |
6 |
|
E |
75 |
16 |
12484 |
◊ |
C |
x,y,z |
1_555 |
80 |
24 |
17836 |
773.9 |
-10.0 |
0.169 |
7 |
3 |
0 |
0.342 |
6 |
7 |
|
F |
79 |
22 |
17318 |
◊ |
A |
x,y,z |
1_555 |
89 |
23 |
17594 |
771.8 |
-1.1 |
0.625 |
7 |
7 |
0 |
0.000 |
7 |
8 |
|
E |
58 |
17 |
12484 |
◊ |
D |
x,y,z |
1_555 |
79 |
23 |
17131 |
686.3 |
-4.3 |
0.480 |
5 |
5 |
0 |
0.085 |
8 |
9 |
|
E |
61 |
15 |
12484 |
◊ |
B |
x,y,z |
1_555 |
80 |
21 |
17737 |
652.1 |
-2.5 |
0.570 |
6 |
6 |
0 |
0.059 |
9 |
10 |
|
C |
61 |
18 |
17836 |
◊ |
E |
x-1/2,-y+1/2,-z |
4_455 |
47 |
12 |
12484 |
497.2 |
-1.1 |
0.662 |
8 |
5 |
0 |
0.000 |
10 |
11 |
|
F |
46 |
13 |
17318 |
◊ |
B |
x,y,z |
1_555 |
49 |
11 |
17737 |
455.6 |
0.5 |
0.678 |
4 |
1 |
0 |
0.000 |
11 |
12 |
|
[ACP]F:401 |
31 |
1 |
616 |
f |
F |
x,y,z |
1_555 |
55 |
25 |
17318 |
432.8 |
-0.8 |
0.627 |
10 |
0 |
0 |
0.035 |
12 |
13 |
|
[GTP]A:501 |
32 |
1 |
631 |
f |
A |
x,y,z |
1_555 |
65 |
30 |
17594 |
417.0 |
-2.7 |
0.571 |
18 |
0 |
0 |
0.278 |
14 |
|
[GTP]C:501 |
31 |
1 |
628 |
f |
C |
x,y,z |
1_555 |
67 |
30 |
17836 |
405.3 |
-3.0 |
0.580 |
18 |
0 |
0 |
0.278 |
Average: |
411.1 |
-2.9 |
0.575 |
18 |
0 |
0 |
0.278 |
13 |
15 |
|
[GDP]D:501 |
27 |
1 |
564 |
f |
D |
x,y,z |
1_555 |
62 |
29 |
17131 |
399.2 |
-7.2 |
0.506 |
11 |
0 |
0 |
0.186 |
16 |
|
[GDP]B:501 |
27 |
1 |
559 |
f |
B |
x,y,z |
1_555 |
62 |
27 |
17737 |
395.9 |
-6.9 |
0.550 |
13 |
0 |
0 |
0.186 |
Average: |
397.5 |
-7.0 |
0.528 |
12 |
0 |
0 |
0.186 |
14 |
17 |
|
C |
37 |
12 |
17836 |
◊ |
A |
-x+1/2,-y+1,z-1/2 |
2_564 |
35 |
13 |
17594 |
309.4 |
-1.3 |
0.503 |
2 |
0 |
0 |
0.000 |
15 |
18 |
|
C |
35 |
9 |
17836 |
◊ |
A |
-x,y-1/2,-z+1/2 |
3_545 |
35 |
10 |
17594 |
285.8 |
-0.3 |
0.645 |
3 |
1 |
0 |
0.000 |
16 |
19 |
|
C |
29 |
11 |
17836 |
◊ |
E |
-x+1/2,-y+1,z-1/2 |
2_564 |
24 |
5 |
12484 |
238.6 |
-1.0 |
0.526 |
2 |
0 |
0 |
0.000 |
17 |
20 |
|
B |
25 |
6 |
17737 |
◊ |
D |
x-1/2,-y+1/2,-z |
4_455 |
30 |
9 |
17131 |
230.6 |
-0.6 |
0.494 |
1 |
4 |
0 |
0.000 |
18 |
21 |
|
C |
27 |
7 |
17836 |
◊ |
B |
x-1/2,-y+1/2,-z |
4_455 |
32 |
10 |
17737 |
209.3 |
-0.6 |
0.556 |
1 |
2 |
0 |
0.000 |
19 |
22 |
|
D |
22 |
5 |
17131 |
◊ |
A |
x-1/2,-y+1/2,-z |
4_455 |
25 |
8 |
17594 |
203.3 |
0.6 |
0.687 |
1 |
3 |
0 |
0.000 |
20 |
23 |
|
[MES]B:504 |
11 |
1 |
332 |
◊ |
B |
x,y,z |
1_555 |
28 |
12 |
17737 |
185.3 |
7.1 |
0.506 |
0 |
0 |
0 |
0.000 |
21 |
24 |
|
D |
21 |
8 |
17131 |
◊ |
E |
x-1/2,-y+1/2,-z |
4_455 |
18 |
9 |
12484 |
173.3 |
3.8 |
0.899 |
3 |
5 |
0 |
0.000 |
22 |
25 |
|
B |
16 |
6 |
17737 |
◊ |
E |
x-1/2,-y+1/2,-z |
4_455 |
19 |
9 |
12484 |
162.9 |
0.5 |
0.728 |
1 |
3 |
0 |
0.000 |
23 |
26 |
|
[WKY]B:505 |
10 |
1 |
322 |
f |
B |
x,y,z |
1_555 |
23 |
7 |
17737 |
157.9 |
-2.2 |
0.605 |
1 |
0 |
0 |
0.038 |
24 |
27 |
|
[WKY]B:505 |
9 |
1 |
322 |
◊ |
C |
x,y,z |
1_555 |
14 |
5 |
17836 |
112.9 |
-1.7 |
0.628 |
1 |
0 |
0 |
0.030 |
25 |
28 |
|
A |
11 |
4 |
17594 |
◊ |
F |
-x+1/2,-y+1,z-1/2 |
2_564 |
9 |
2 |
17318 |
103.6 |
0.5 |
0.516 |
0 |
0 |
0 |
0.000 |
26 |
29 |
|
C |
7 |
3 |
17836 |
x |
C |
x-1/2,-y+1/2,-z |
4_455 |
19 |
7 |
17836 |
93.0 |
0.9 |
0.772 |
3 |
0 |
0 |
0.000 |
27 |
30 |
|
[GTP]C:501 |
10 |
1 |
628 |
◊ |
D |
x,y,z |
1_555 |
4 |
2 |
17131 |
56.1 |
1.0 |
0.790 |
1 |
0 |
0 |
0.000 |
31 |
|
[GTP]A:501 |
6 |
1 |
631 |
◊ |
B |
x,y,z |
1_555 |
3 |
2 |
17737 |
33.5 |
0.7 |
0.749 |
1 |
0 |
0 |
0.000 |
Average: |
44.8 |
0.8 |
0.770 |
1 |
0 |
0 |
0.000 |
28 |
32 |
|
[MG]B:502 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
8 |
3 |
17737 |
52.1 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.072 |
33 |
|
[MG]D:502 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
4 |
2 |
17131 |
39.5 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.072 |
Average: |
45.8 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.072 |
29 |
34 |
|
B |
7 |
3 |
17737 |
◊ |
E |
-x+1/2,-y+1,z-1/2 |
2_564 |
4 |
2 |
12484 |
44.5 |
-0.7 |
0.392 |
0 |
0 |
0 |
0.000 |
30 |
35 |
|
[CA]A:504 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
12 |
7 |
17594 |
43.5 |
-7.0 |
0.000 |
0 |
0 |
0 |
0.124 |
31 |
36 |
|
[MES]B:504 |
5 |
1 |
332 |
◊ |
A |
x,y,z |
1_555 |
8 |
4 |
17594 |
43.2 |
0.3 |
0.056 |
0 |
0 |
0 |
0.000 |
32 |
37 |
|
[MG]A:502 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
12 |
6 |
17594 |
42.9 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.122 |
38 |
|
[MG]C:502 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
13 |
6 |
17836 |
41.6 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.122 |
Average: |
42.2 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.122 |
33 |
39 |
|
[MG]F:402 |
1 |
1 |
98 |
f |
F |
x,y,z |
1_555 |
5 |
3 |
17318 |
40.6 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.031 |
34 |
40 |
|
[ACP]F:401 |
4 |
1 |
616 |
f |
[MG]F:402 |
x,y,z |
1_555 |
1 |
1 |
98 |
37.0 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.033 |
35 |
41 |
|
C |
9 |
5 |
17836 |
f |
[CA]B:503 |
x-1/2,-y+1/2,-z |
4_455 |
1 |
1 |
85 |
33.7 |
-5.9 |
0.000 |
0 |
0 |
0 |
0.149 |
36 |
42 |
|
[MG]C:502 |
1 |
1 |
98 |
f |
[GTP]C:501 |
x,y,z |
1_555 |
5 |
1 |
628 |
32.6 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.114 |
43 |
|
[MG]A:502 |
1 |
1 |
98 |
f |
[GTP]A:501 |
x,y,z |
1_555 |
5 |
1 |
631 |
32.0 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.114 |
Average: |
32.3 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.114 |
37 |
44 |
|
[GDP]D:501 |
4 |
1 |
564 |
f |
[MG]D:502 |
x,y,z |
1_555 |
1 |
1 |
98 |
31.3 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.069 |
45 |
|
[GDP]B:501 |
7 |
1 |
559 |
f |
[MG]B:502 |
x,y,z |
1_555 |
1 |
1 |
98 |
29.7 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.069 |
Average: |
30.5 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.069 |
38 |
46 |
|
[CA]B:503 |
1 |
1 |
85 |
◊ |
B |
x,y,z |
1_555 |
4 |
2 |
17737 |
29.8 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.000 |
39 |
47 |
|
B |
1 |
1 |
17737 |
◊ |
F |
-x+1/2,-y+1,z-1/2 |
2_564 |
3 |
1 |
17318 |
20.8 |
-0.6 |
0.156 |
0 |
0 |
0 |
0.000 |
40 |
48 |
|
[CA]A:504 |
1 |
1 |
85 |
◊ |
E |
x,y,z |
1_555 |
1 |
1 |
12484 |
13.7 |
-1.9 |
0.000 |
0 |
0 |
0 |
0.034 |
41 |
49 |
|
[MG]A:502 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
17737 |
12.4 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.008 |
50 |
|
[MG]C:502 |
1 |
1 |
98 |
◊ |
D |
x,y,z |
1_555 |
1 |
1 |
17131 |
12.2 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.008 |
Average: |
12.3 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.008 |
42 |
51 |
|
[MG]B:502 |
1 |
1 |
98 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
17836 |
9.8 |
-0.7 |
0.000 |
0 |
0 |
0 |
0.011 |
43 |
52 |
|
[MES]B:504 |
3 |
1 |
332 |
f |
E |
x,y,z |
1_555 |
1 |
1 |
12484 |
9.2 |
0.2 |
0.089 |
0 |
0 |
0 |
0.000 |
|