## |
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 |
141 |
35 |
12468 |
◊ |
A |
x,y,z |
1_555 |
174 |
48 |
17616 |
1522.7 |
-18.2 |
0.148 |
19 |
2 |
0 |
0.391 |
2 |
2 |
|
D |
140 |
38 |
17519 |
◊ |
C |
x,y,z |
1_555 |
143 |
34 |
17736 |
1341.7 |
-12.1 |
0.191 |
13 |
10 |
0 |
0.296 |
3 |
|
B |
140 |
38 |
17777 |
◊ |
A |
x,y,z |
1_555 |
144 |
35 |
17616 |
1285.7 |
-15.9 |
0.054 |
13 |
10 |
0 |
0.296 |
Average: |
1313.7 |
-14.0 |
0.123 |
13 |
10 |
0 |
0.296 |
3 |
4 |
|
B |
93 |
26 |
17777 |
◊ |
C |
x,y,z |
1_555 |
111 |
29 |
17736 |
886.6 |
-8.9 |
0.183 |
17 |
2 |
0 |
0.255 |
4 |
5 |
|
D |
87 |
24 |
17519 |
◊ |
F |
-x,y-1/2,-z+1/2 |
3_545 |
89 |
26 |
17272 |
803.9 |
5.2 |
0.805 |
13 |
2 |
0 |
0.000 |
5 |
6 |
|
E |
79 |
16 |
12468 |
◊ |
C |
x,y,z |
1_555 |
82 |
23 |
17736 |
787.4 |
-9.4 |
0.213 |
7 |
4 |
0 |
0.154 |
6 |
7 |
|
F |
76 |
22 |
17272 |
◊ |
A |
x,y,z |
1_555 |
86 |
22 |
17616 |
758.7 |
-1.3 |
0.604 |
5 |
7 |
0 |
0.000 |
7 |
8 |
|
E |
59 |
16 |
12468 |
◊ |
D |
x,y,z |
1_555 |
81 |
22 |
17519 |
690.9 |
-4.4 |
0.487 |
6 |
5 |
0 |
0.088 |
8 |
9 |
|
E |
60 |
15 |
12468 |
◊ |
B |
x,y,z |
1_555 |
81 |
21 |
17777 |
657.1 |
-2.8 |
0.549 |
6 |
5 |
0 |
0.073 |
9 |
10 |
|
C |
60 |
18 |
17736 |
◊ |
E |
x-1/2,-y+1/2,-z |
4_455 |
47 |
12 |
12468 |
503.3 |
-1.2 |
0.656 |
6 |
6 |
0 |
0.000 |
10 |
11 |
|
F |
52 |
13 |
17272 |
◊ |
B |
x,y,z |
1_555 |
47 |
11 |
17777 |
462.8 |
0.9 |
0.710 |
4 |
1 |
0 |
0.000 |
11 |
12 |
|
[ACP]F:401 |
31 |
1 |
613 |
f |
F |
x,y,z |
1_555 |
59 |
24 |
17272 |
429.7 |
-0.6 |
0.638 |
10 |
0 |
0 |
0.036 |
12 |
13 |
|
[GTP]A:501 |
32 |
1 |
630 |
f |
A |
x,y,z |
1_555 |
64 |
29 |
17616 |
416.5 |
-2.9 |
0.560 |
19 |
0 |
0 |
0.173 |
14 |
|
[GTP]C:501 |
32 |
1 |
629 |
f |
C |
x,y,z |
1_555 |
68 |
30 |
17736 |
405.2 |
-2.9 |
0.587 |
19 |
0 |
0 |
0.173 |
Average: |
410.9 |
-2.9 |
0.573 |
19 |
0 |
0 |
0.173 |
13 |
15 |
|
[GDP]D:501 |
28 |
1 |
565 |
f |
D |
x,y,z |
1_555 |
61 |
26 |
17519 |
399.1 |
-7.3 |
0.505 |
13 |
0 |
0 |
0.192 |
16 |
|
[GDP]B:501 |
27 |
1 |
560 |
f |
B |
x,y,z |
1_555 |
63 |
27 |
17777 |
393.9 |
-6.5 |
0.552 |
13 |
0 |
0 |
0.192 |
Average: |
396.5 |
-6.9 |
0.528 |
13 |
0 |
0 |
0.192 |
14 |
17 |
|
C |
34 |
12 |
17736 |
◊ |
A |
-x+1/2,-y+1,z-1/2 |
2_564 |
33 |
12 |
17616 |
313.5 |
-1.3 |
0.494 |
2 |
0 |
0 |
0.000 |
15 |
18 |
|
C |
35 |
9 |
17736 |
◊ |
A |
-x,y-1/2,-z+1/2 |
3_545 |
33 |
11 |
17616 |
277.6 |
-0.8 |
0.597 |
2 |
1 |
0 |
0.000 |
16 |
19 |
|
[WV1]D:503 |
15 |
1 |
407 |
◊ |
D |
x,y,z |
1_555 |
40 |
13 |
17519 |
260.9 |
4.7 |
0.458 |
1 |
0 |
0 |
0.000 |
17 |
20 |
|
D |
22 |
7 |
17519 |
◊ |
A |
x-1/2,-y+1/2,-z |
4_455 |
28 |
8 |
17616 |
252.1 |
-0.4 |
0.473 |
2 |
5 |
0 |
0.000 |
18 |
21 |
|
B |
25 |
6 |
17777 |
◊ |
D |
x-1/2,-y+1/2,-z |
4_455 |
28 |
9 |
17519 |
234.7 |
-0.7 |
0.521 |
1 |
4 |
0 |
0.000 |
19 |
22 |
|
C |
31 |
12 |
17736 |
◊ |
E |
-x+1/2,-y+1,z-1/2 |
2_564 |
24 |
5 |
12468 |
234.2 |
-1.1 |
0.531 |
2 |
0 |
0 |
0.000 |
20 |
23 |
|
C |
27 |
7 |
17736 |
◊ |
B |
x-1/2,-y+1/2,-z |
4_455 |
30 |
9 |
17777 |
204.3 |
-0.6 |
0.570 |
1 |
1 |
0 |
0.000 |
21 |
24 |
|
[MES]B:504 |
12 |
1 |
334 |
◊ |
B |
x,y,z |
1_555 |
29 |
12 |
17777 |
189.9 |
7.2 |
0.394 |
0 |
0 |
0 |
0.000 |
22 |
25 |
|
B |
16 |
5 |
17777 |
◊ |
E |
x-1/2,-y+1/2,-z |
4_455 |
20 |
8 |
12468 |
165.2 |
-0.1 |
0.672 |
1 |
2 |
0 |
0.000 |
23 |
26 |
|
D |
19 |
8 |
17519 |
◊ |
E |
x-1/2,-y+1/2,-z |
4_455 |
18 |
9 |
12468 |
155.1 |
3.4 |
0.872 |
4 |
4 |
0 |
0.000 |
24 |
27 |
|
A |
12 |
4 |
17616 |
◊ |
F |
-x+1/2,-y+1,z-1/2 |
2_564 |
10 |
3 |
17272 |
114.2 |
0.7 |
0.569 |
1 |
1 |
0 |
0.000 |
25 |
28 |
|
C |
8 |
3 |
17736 |
x |
C |
x-1/2,-y+1/2,-z |
4_455 |
16 |
8 |
17736 |
80.3 |
0.4 |
0.734 |
2 |
0 |
0 |
0.000 |
26 |
29 |
|
[GTP]C:501 |
8 |
1 |
629 |
◊ |
D |
x,y,z |
1_555 |
4 |
2 |
17519 |
57.6 |
1.1 |
0.802 |
1 |
0 |
0 |
0.000 |
30 |
|
[GTP]A:501 |
5 |
1 |
630 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
17777 |
34.5 |
0.6 |
0.744 |
1 |
0 |
0 |
0.000 |
Average: |
46.1 |
0.9 |
0.773 |
1 |
0 |
0 |
0.000 |
27 |
31 |
|
[MG]B:502 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
7 |
4 |
17777 |
50.7 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.077 |
32 |
|
[MG]D:502 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
6 |
3 |
17519 |
43.8 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.077 |
Average: |
47.2 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.077 |
28 |
33 |
|
B |
8 |
3 |
17777 |
◊ |
E |
-x+1/2,-y+1,z-1/2 |
2_564 |
4 |
2 |
12468 |
48.8 |
-0.8 |
0.394 |
0 |
0 |
0 |
0.000 |
29 |
34 |
|
[CA]A:503 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
3 |
3 |
17616 |
42.8 |
-12.7 |
0.000 |
0 |
0 |
0 |
0.185 |
30 |
35 |
|
[MG]F:402 |
1 |
1 |
98 |
f |
F |
x,y,z |
1_555 |
5 |
3 |
17272 |
42.8 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.036 |
31 |
36 |
|
[MG]C:502 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
13 |
6 |
17736 |
42.0 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.075 |
37 |
|
[MG]A:502 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
12 |
6 |
17616 |
41.7 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.075 |
Average: |
41.8 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.075 |
32 |
38 |
|
[CA]A:504 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
11 |
6 |
17616 |
40.2 |
-6.7 |
0.000 |
0 |
0 |
0 |
0.097 |
33 |
39 |
|
[MES]B:504 |
5 |
1 |
334 |
f |
A |
x,y,z |
1_555 |
8 |
4 |
17616 |
37.6 |
0.1 |
0.041 |
0 |
0 |
0 |
0.000 |
34 |
40 |
|
[ACP]F:401 |
3 |
1 |
613 |
f |
[MG]F:402 |
x,y,z |
1_555 |
1 |
1 |
98 |
35.4 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.035 |
35 |
41 |
|
[GDP]D:501 |
4 |
1 |
565 |
f |
[MG]D:502 |
x,y,z |
1_555 |
1 |
1 |
98 |
33.0 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.076 |
42 |
|
[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 |
0.076 |
Average: |
32.0 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.076 |
36 |
43 |
|
[MG]C:502 |
1 |
1 |
98 |
f |
[GTP]C:501 |
x,y,z |
1_555 |
5 |
1 |
629 |
32.3 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.068 |
44 |
|
[MG]A:502 |
1 |
1 |
98 |
f |
[GTP]A:501 |
x,y,z |
1_555 |
5 |
1 |
630 |
32.3 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.068 |
Average: |
32.3 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.068 |
37 |
45 |
|
C |
7 |
4 |
17736 |
f |
[CA]B:503 |
x-1/2,-y+1/2,-z |
4_455 |
1 |
1 |
85 |
32.0 |
-5.5 |
0.000 |
0 |
0 |
0 |
0.084 |
38 |
46 |
|
[CA]B:503 |
1 |
1 |
85 |
◊ |
B |
x,y,z |
1_555 |
5 |
2 |
17777 |
29.7 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.000 |
39 |
47 |
|
B |
1 |
1 |
17777 |
◊ |
F |
-x+1/2,-y+1,z-1/2 |
2_564 |
3 |
1 |
17272 |
23.8 |
-0.7 |
0.144 |
0 |
0 |
0 |
0.000 |
40 |
48 |
|
[WV1]D:503 |
4 |
1 |
407 |
f |
F |
-x,y-1/2,-z+1/2 |
3_545 |
2 |
1 |
17272 |
23.2 |
1.0 |
0.488 |
0 |
0 |
0 |
0.000 |
41 |
49 |
|
[CA]A:504 |
1 |
1 |
85 |
◊ |
E |
x,y,z |
1_555 |
1 |
1 |
12468 |
15.7 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.032 |
42 |
50 |
|
[MG]A:502 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
17777 |
13.1 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.008 |
51 |
|
[MG]C:502 |
1 |
1 |
98 |
◊ |
D |
x,y,z |
1_555 |
1 |
1 |
17519 |
12.0 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.008 |
Average: |
12.6 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.008 |
43 |
52 |
|
[MG]B:502 |
1 |
1 |
98 |
◊ |
C |
x,y,z |
1_555 |
2 |
1 |
17736 |
8.1 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.009 |
44 |
53 |
|
[MES]B:504 |
2 |
1 |
334 |
◊ |
E |
x,y,z |
1_555 |
1 |
1 |
12468 |
7.8 |
0.1 |
0.168 |
0 |
0 |
0 |
0.000 |
|