## |
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 |
144 |
35 |
12465 |
◊ |
A |
x,y,z |
1_555 |
177 |
47 |
17661 |
1537.3 |
-17.8 |
0.161 |
23 |
6 |
0 |
0.555 |
2 |
2 |
|
B |
144 |
39 |
17956 |
◊ |
A |
x,y,z |
1_555 |
154 |
37 |
17661 |
1396.0 |
-14.4 |
0.096 |
12 |
8 |
0 |
0.369 |
3 |
|
D |
139 |
37 |
17472 |
◊ |
C |
x,y,z |
1_555 |
143 |
35 |
17833 |
1322.3 |
-11.3 |
0.228 |
18 |
12 |
0 |
0.369 |
Average: |
1359.2 |
-12.8 |
0.162 |
15 |
10 |
0 |
0.369 |
3 |
4 |
|
B |
95 |
26 |
17956 |
◊ |
C |
x,y,z |
1_555 |
110 |
29 |
17833 |
899.4 |
-9.6 |
0.178 |
15 |
2 |
0 |
0.283 |
4 |
5 |
|
D |
87 |
23 |
17472 |
◊ |
F |
-x,y-1/2,-z+1/2 |
3_545 |
93 |
25 |
17372 |
798.4 |
3.9 |
0.779 |
12 |
3 |
0 |
0.000 |
5 |
6 |
|
E |
78 |
17 |
12465 |
◊ |
C |
x,y,z |
1_555 |
81 |
23 |
17833 |
780.4 |
-8.3 |
0.283 |
7 |
5 |
0 |
0.070 |
6 |
7 |
|
F |
76 |
21 |
17372 |
◊ |
A |
x,y,z |
1_555 |
89 |
23 |
17661 |
739.7 |
0.5 |
0.727 |
6 |
6 |
0 |
0.000 |
7 |
8 |
|
E |
55 |
16 |
12465 |
◊ |
D |
x,y,z |
1_555 |
79 |
22 |
17472 |
653.6 |
-3.2 |
0.546 |
6 |
4 |
0 |
0.037 |
8 |
9 |
|
E |
63 |
15 |
12465 |
◊ |
B |
x,y,z |
1_555 |
82 |
22 |
17956 |
644.3 |
-3.9 |
0.504 |
3 |
4 |
0 |
0.066 |
9 |
10 |
|
C |
68 |
21 |
17833 |
◊ |
E |
x-1/2,-y+1/2,-z |
4_455 |
52 |
13 |
12465 |
516.3 |
-1.3 |
0.664 |
6 |
4 |
0 |
0.000 |
10 |
11 |
|
F |
49 |
13 |
17372 |
◊ |
B |
x,y,z |
1_555 |
49 |
13 |
17956 |
484.2 |
0.7 |
0.698 |
4 |
2 |
0 |
0.000 |
11 |
12 |
|
[ACP]F:401 |
31 |
1 |
615 |
f |
F |
x,y,z |
1_555 |
60 |
25 |
17372 |
440.5 |
-0.9 |
0.626 |
7 |
0 |
0 |
0.029 |
12 |
13 |
|
[GTP]A:501 |
32 |
1 |
627 |
f |
A |
x,y,z |
1_555 |
60 |
29 |
17661 |
410.4 |
-2.8 |
0.547 |
19 |
0 |
0 |
0.215 |
14 |
|
[GTP]C:501 |
32 |
1 |
628 |
f |
C |
x,y,z |
1_555 |
69 |
30 |
17833 |
405.9 |
-2.9 |
0.588 |
20 |
0 |
0 |
0.215 |
Average: |
408.1 |
-2.8 |
0.567 |
20 |
0 |
0 |
0.215 |
13 |
15 |
|
[GDP]D:501 |
28 |
1 |
564 |
f |
D |
x,y,z |
1_555 |
67 |
29 |
17472 |
401.8 |
-7.4 |
0.517 |
10 |
0 |
0 |
0.221 |
16 |
|
[GDP]B:501 |
27 |
1 |
562 |
f |
B |
x,y,z |
1_555 |
60 |
26 |
17956 |
397.7 |
-6.8 |
0.557 |
13 |
0 |
0 |
0.221 |
Average: |
399.7 |
-7.1 |
0.537 |
12 |
0 |
0 |
0.221 |
14 |
17 |
|
C |
36 |
12 |
17833 |
◊ |
A |
-x+1/2,-y+1,z-1/2 |
2_564 |
36 |
13 |
17661 |
312.2 |
-1.2 |
0.522 |
3 |
2 |
0 |
0.000 |
15 |
18 |
|
C |
34 |
9 |
17833 |
◊ |
A |
-x,y-1/2,-z+1/2 |
3_545 |
38 |
11 |
17661 |
308.7 |
-0.4 |
0.638 |
1 |
0 |
0 |
0.000 |
16 |
19 |
|
D |
25 |
8 |
17472 |
◊ |
A |
x-1/2,-y+1/2,-z |
4_455 |
27 |
8 |
17661 |
253.6 |
0.3 |
0.579 |
1 |
4 |
0 |
0.000 |
17 |
20 |
|
C |
33 |
12 |
17833 |
◊ |
E |
-x+1/2,-y+1,z-1/2 |
2_564 |
28 |
6 |
12465 |
245.1 |
-0.8 |
0.555 |
3 |
0 |
0 |
0.000 |
18 |
21 |
|
C |
27 |
7 |
17833 |
◊ |
B |
x-1/2,-y+1/2,-z |
4_455 |
32 |
10 |
17956 |
222.0 |
-0.1 |
0.638 |
2 |
2 |
0 |
0.000 |
19 |
22 |
|
B |
25 |
6 |
17956 |
◊ |
D |
x-1/2,-y+1/2,-z |
4_455 |
29 |
9 |
17472 |
219.4 |
-1.0 |
0.486 |
1 |
4 |
0 |
0.000 |
20 |
23 |
|
[MES]B:504 |
12 |
1 |
334 |
◊ |
B |
x,y,z |
1_555 |
26 |
12 |
17956 |
191.5 |
7.0 |
0.389 |
0 |
0 |
0 |
0.000 |
21 |
24 |
|
D |
22 |
8 |
17472 |
◊ |
E |
x-1/2,-y+1/2,-z |
4_455 |
18 |
9 |
12465 |
189.6 |
3.8 |
0.905 |
3 |
5 |
0 |
0.000 |
22 |
25 |
|
[WZY]B:505 |
13 |
1 |
365 |
f |
B |
x,y,z |
1_555 |
28 |
10 |
17956 |
176.7 |
5.7 |
0.183 |
1 |
0 |
0 |
0.000 |
23 |
26 |
|
B |
15 |
6 |
17956 |
◊ |
E |
x-1/2,-y+1/2,-z |
4_455 |
21 |
9 |
12465 |
170.1 |
0.8 |
0.754 |
1 |
3 |
0 |
0.000 |
24 |
27 |
|
[WZY]E:201 |
13 |
1 |
366 |
◊ |
E |
x,y,z |
1_555 |
16 |
5 |
12465 |
149.9 |
4.0 |
0.108 |
0 |
0 |
0 |
0.000 |
25 |
28 |
|
[WZY]C:504 |
13 |
1 |
363 |
◊ |
C |
x,y,z |
1_555 |
21 |
8 |
17833 |
146.0 |
3.4 |
0.034 |
1 |
0 |
0 |
0.000 |
26 |
29 |
|
[WZY]D:503 |
9 |
1 |
367 |
◊ |
D |
x,y,z |
1_555 |
16 |
8 |
17472 |
122.7 |
3.3 |
0.103 |
0 |
0 |
0 |
0.000 |
27 |
30 |
|
A |
10 |
4 |
17661 |
◊ |
F |
-x+1/2,-y+1,z-1/2 |
2_564 |
9 |
2 |
17372 |
109.4 |
0.4 |
0.459 |
0 |
1 |
0 |
0.000 |
28 |
31 |
|
[WZY]C:504 |
10 |
1 |
363 |
◊ |
E |
-x+1/2,-y+1,z-1/2 |
2_564 |
13 |
3 |
12465 |
105.9 |
3.7 |
0.125 |
0 |
0 |
0 |
0.000 |
29 |
32 |
|
[WZY]D:503 |
9 |
1 |
367 |
◊ |
C |
x,y,z |
1_555 |
13 |
4 |
17833 |
97.4 |
3.6 |
0.124 |
0 |
0 |
0 |
0.000 |
30 |
33 |
|
C |
6 |
3 |
17833 |
x |
C |
x-1/2,-y+1/2,-z |
4_455 |
15 |
7 |
17833 |
79.3 |
0.7 |
0.756 |
2 |
0 |
0 |
0.000 |
31 |
34 |
|
[WZY]E:201 |
11 |
1 |
366 |
◊ |
[WZY]D:503 |
x,y,z |
1_555 |
11 |
1 |
367 |
76.7 |
4.0 |
0.000 |
0 |
0 |
0 |
0.000 |
32 |
35 |
|
[WZY]E:201 |
7 |
1 |
366 |
◊ |
D |
x,y,z |
1_555 |
11 |
5 |
17472 |
69.7 |
2.4 |
0.182 |
0 |
0 |
0 |
0.000 |
33 |
36 |
|
[WZY]C:504 |
6 |
1 |
363 |
f |
A |
-x+1/2,-y+1,z-1/2 |
2_564 |
7 |
3 |
17661 |
65.6 |
1.2 |
0.068 |
1 |
0 |
0 |
0.000 |
34 |
37 |
|
[GTP]C:501 |
10 |
1 |
628 |
◊ |
D |
x,y,z |
1_555 |
4 |
2 |
17472 |
55.8 |
0.9 |
0.782 |
1 |
0 |
0 |
0.000 |
38 |
|
[GTP]A:501 |
5 |
1 |
627 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
17956 |
35.4 |
0.7 |
0.763 |
1 |
0 |
0 |
0.000 |
Average: |
45.6 |
0.8 |
0.772 |
1 |
0 |
0 |
0.000 |
35 |
39 |
|
[MG]B:502 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
7 |
4 |
17956 |
53.0 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.084 |
40 |
|
[MG]D:502 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
4 |
2 |
17472 |
45.4 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.084 |
Average: |
49.2 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.084 |
36 |
41 |
|
B |
6 |
4 |
17956 |
◊ |
E |
-x+1/2,-y+1,z-1/2 |
2_564 |
4 |
2 |
12465 |
48.1 |
-0.8 |
0.322 |
0 |
0 |
0 |
0.000 |
37 |
42 |
|
[WZY]E:201 |
4 |
1 |
366 |
f |
C |
x,y,z |
1_555 |
7 |
2 |
17833 |
46.2 |
1.7 |
0.430 |
0 |
0 |
0 |
0.000 |
38 |
43 |
|
[MG]A:502 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
12 |
6 |
17661 |
43.1 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.097 |
44 |
|
[MG]C:502 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
13 |
6 |
17833 |
41.8 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.097 |
Average: |
42.5 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.097 |
39 |
45 |
|
[MG]F:402 |
1 |
1 |
98 |
f |
F |
x,y,z |
1_555 |
5 |
3 |
17372 |
42.2 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.035 |
40 |
46 |
|
[CA]A:504 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
10 |
6 |
17661 |
40.4 |
-6.3 |
0.000 |
0 |
0 |
0 |
0.121 |
41 |
47 |
|
[WZY]B:505 |
3 |
1 |
365 |
◊ |
C |
x,y,z |
1_555 |
7 |
4 |
17833 |
40.0 |
1.1 |
0.362 |
0 |
0 |
0 |
0.000 |
42 |
48 |
|
[ACP]F:401 |
4 |
1 |
615 |
f |
[MG]F:402 |
x,y,z |
1_555 |
1 |
1 |
98 |
36.3 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.035 |
43 |
49 |
|
C |
9 |
5 |
17833 |
f |
[CA]B:503 |
x-1/2,-y+1/2,-z |
4_455 |
1 |
1 |
85 |
35.0 |
-6.3 |
0.000 |
0 |
0 |
0 |
0.108 |
44 |
50 |
|
[MES]B:504 |
4 |
1 |
334 |
f |
A |
x,y,z |
1_555 |
8 |
3 |
17661 |
33.4 |
0.0 |
0.069 |
0 |
0 |
0 |
0.000 |
45 |
51 |
|
[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 |
0.079 |
52 |
|
[MG]A:502 |
1 |
1 |
98 |
f |
[GTP]A:501 |
x,y,z |
1_555 |
5 |
1 |
627 |
31.7 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.079 |
Average: |
32.1 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.079 |
46 |
53 |
|
[CA]B:503 |
1 |
1 |
85 |
◊ |
B |
x,y,z |
1_555 |
4 |
2 |
17956 |
32.2 |
-5.7 |
0.000 |
0 |
0 |
0 |
0.000 |
47 |
54 |
|
[GDP]D:501 |
5 |
1 |
564 |
f |
[MG]D:502 |
x,y,z |
1_555 |
1 |
1 |
98 |
31.3 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.079 |
55 |
|
[GDP]B:501 |
7 |
1 |
562 |
f |
[MG]B:502 |
x,y,z |
1_555 |
1 |
1 |
98 |
30.2 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.079 |
Average: |
30.8 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.079 |
48 |
56 |
|
[WZY]D:503 |
3 |
1 |
367 |
f |
E |
x,y,z |
1_555 |
3 |
1 |
12465 |
29.3 |
0.8 |
0.236 |
0 |
0 |
0 |
0.000 |
49 |
57 |
|
B |
3 |
2 |
17956 |
◊ |
F |
-x+1/2,-y+1,z-1/2 |
2_564 |
4 |
2 |
17372 |
29.1 |
-0.7 |
0.269 |
0 |
0 |
0 |
0.000 |
50 |
58 |
|
[CA]A:504 |
1 |
1 |
85 |
◊ |
E |
x,y,z |
1_555 |
1 |
1 |
12465 |
13.7 |
-1.9 |
0.000 |
0 |
0 |
0 |
0.037 |
51 |
59 |
|
[MG]C:502 |
1 |
1 |
98 |
◊ |
D |
x,y,z |
1_555 |
2 |
1 |
17472 |
13.0 |
-0.7 |
0.000 |
0 |
0 |
0 |
0.011 |
60 |
|
[MG]A:502 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
17956 |
12.6 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.011 |
Average: |
12.8 |
-0.7 |
0.000 |
0 |
0 |
0 |
0.011 |
52 |
61 |
|
[MES]B:504 |
3 |
1 |
334 |
◊ |
E |
x,y,z |
1_555 |
1 |
1 |
12465 |
12.6 |
0.2 |
0.099 |
0 |
0 |
0 |
0.000 |
53 |
62 |
|
[MG]B:502 |
1 |
1 |
98 |
◊ |
C |
x,y,z |
1_555 |
2 |
1 |
17833 |
11.1 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.015 |
54 |
63 |
|
D |
1 |
1 |
17472 |
◊ |
B |
x-1/2,-y+1/2,-z |
4_455 |
1 |
1 |
17956 |
1.5 |
0.0 |
0.661 |
0 |
0 |
0 |
0.000 |
55 |
64 |
|
[WZY]B:505 |
1 |
1 |
365 |
f |
[GDP]B:501 |
x,y,z |
1_555 |
1 |
1 |
562 |
1.3 |
-0.0 |
0.169 |
0 |
0 |
0 |
0.000 |
|