## |
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 |
12439 |
◊ |
A |
x,y,z |
1_555 |
172 |
48 |
17948 |
1511.0 |
-18.3 |
0.144 |
18 |
3 |
0 |
0.395 |
2 |
2 |
|
D |
141 |
36 |
17067 |
◊ |
C |
x,y,z |
1_555 |
147 |
38 |
17749 |
1348.6 |
-12.9 |
0.142 |
15 |
9 |
0 |
0.321 |
3 |
|
B |
139 |
35 |
17557 |
◊ |
A |
x,y,z |
1_555 |
143 |
34 |
17948 |
1295.0 |
-15.4 |
0.055 |
13 |
7 |
0 |
0.321 |
Average: |
1321.8 |
-14.1 |
0.098 |
14 |
8 |
0 |
0.321 |
3 |
4 |
|
D |
128 |
35 |
17067 |
◊ |
F |
-x,y-1/2,-z+1/2 |
3_545 |
116 |
29 |
17748 |
1132.4 |
2.1 |
0.731 |
18 |
2 |
0 |
0.031 |
4 |
5 |
|
F |
109 |
35 |
17748 |
◊ |
A |
x,y,z |
1_555 |
103 |
26 |
17948 |
967.7 |
1.5 |
0.764 |
17 |
8 |
0 |
0.036 |
5 |
6 |
|
B |
96 |
28 |
17557 |
◊ |
C |
x,y,z |
1_555 |
107 |
30 |
17749 |
911.2 |
-8.0 |
0.236 |
15 |
3 |
0 |
0.228 |
6 |
7 |
|
E |
79 |
17 |
12439 |
◊ |
C |
x,y,z |
1_555 |
86 |
24 |
17749 |
771.5 |
-9.5 |
0.202 |
7 |
3 |
0 |
0.153 |
7 |
8 |
|
E |
57 |
16 |
12439 |
◊ |
D |
x,y,z |
1_555 |
81 |
22 |
17067 |
674.3 |
-3.9 |
0.513 |
6 |
4 |
0 |
0.084 |
8 |
9 |
|
E |
60 |
16 |
12439 |
◊ |
B |
x,y,z |
1_555 |
81 |
21 |
17557 |
637.0 |
-2.8 |
0.567 |
5 |
5 |
0 |
0.068 |
9 |
10 |
|
[7AK]B:505 |
36 |
1 |
728 |
f |
B |
x,y,z |
1_555 |
63 |
20 |
17557 |
533.8 |
-1.8 |
0.462 |
1 |
0 |
0 |
0.044 |
11 |
|
[7AK]D:503 |
36 |
1 |
728 |
f |
D |
x,y,z |
1_555 |
64 |
22 |
17067 |
489.3 |
-2.4 |
0.440 |
1 |
0 |
0 |
0.044 |
Average: |
511.6 |
-2.1 |
0.451 |
1 |
0 |
0 |
0.044 |
10 |
12 |
|
C |
64 |
18 |
17749 |
◊ |
E |
x-1/2,-y+1/2,-z |
4_455 |
41 |
11 |
12439 |
500.7 |
-1.0 |
0.667 |
8 |
5 |
0 |
0.000 |
11 |
13 |
|
F |
47 |
13 |
17748 |
◊ |
B |
x,y,z |
1_555 |
46 |
12 |
17557 |
441.0 |
1.0 |
0.720 |
5 |
1 |
0 |
0.007 |
12 |
14 |
|
[ACP]F:401 |
31 |
1 |
583 |
f |
F |
x,y,z |
1_555 |
55 |
22 |
17748 |
418.0 |
-1.0 |
0.618 |
10 |
0 |
0 |
0.040 |
13 |
15 |
|
[GTP]C:501 |
31 |
1 |
632 |
f |
C |
x,y,z |
1_555 |
70 |
30 |
17749 |
412.4 |
-2.7 |
0.585 |
18 |
0 |
0 |
0.164 |
16 |
|
[GTP]A:501 |
31 |
1 |
631 |
f |
A |
x,y,z |
1_555 |
70 |
30 |
17948 |
411.5 |
-2.8 |
0.550 |
18 |
0 |
0 |
0.164 |
Average: |
411.9 |
-2.8 |
0.568 |
18 |
0 |
0 |
0.164 |
14 |
17 |
|
[GDP]D:501 |
27 |
1 |
561 |
f |
D |
x,y,z |
1_555 |
62 |
28 |
17067 |
395.1 |
-6.8 |
0.513 |
13 |
0 |
0 |
0.193 |
18 |
|
[GDP]B:501 |
27 |
1 |
555 |
f |
B |
x,y,z |
1_555 |
62 |
28 |
17557 |
394.0 |
-6.3 |
0.553 |
14 |
0 |
0 |
0.193 |
Average: |
394.6 |
-6.6 |
0.533 |
14 |
0 |
0 |
0.193 |
15 |
19 |
|
C |
52 |
12 |
17749 |
◊ |
A |
-x,y-1/2,-z+1/2 |
3_545 |
41 |
11 |
17948 |
354.3 |
0.1 |
0.707 |
5 |
1 |
0 |
0.011 |
16 |
20 |
|
C |
34 |
12 |
17749 |
◊ |
A |
-x+1/2,-y+1,z-1/2 |
2_564 |
33 |
12 |
17948 |
314.4 |
-1.4 |
0.469 |
3 |
0 |
0 |
0.000 |
17 |
21 |
|
B |
26 |
6 |
17557 |
◊ |
D |
x-1/2,-y+1/2,-z |
4_455 |
30 |
8 |
17067 |
246.8 |
-0.7 |
0.507 |
3 |
4 |
0 |
0.000 |
18 |
22 |
|
C |
33 |
11 |
17749 |
◊ |
E |
-x+1/2,-y+1,z-1/2 |
2_564 |
23 |
5 |
12439 |
231.9 |
-1.2 |
0.528 |
1 |
0 |
0 |
0.000 |
19 |
23 |
|
C |
27 |
7 |
17749 |
◊ |
B |
x-1/2,-y+1/2,-z |
4_455 |
30 |
10 |
17557 |
207.3 |
0.2 |
0.658 |
2 |
0 |
0 |
0.000 |
20 |
24 |
|
[MES]B:504 |
12 |
1 |
334 |
◊ |
B |
x,y,z |
1_555 |
29 |
12 |
17557 |
205.8 |
8.1 |
0.502 |
0 |
0 |
0 |
0.000 |
21 |
25 |
|
B |
19 |
6 |
17557 |
◊ |
E |
x-1/2,-y+1/2,-z |
4_455 |
20 |
9 |
12439 |
165.1 |
0.3 |
0.710 |
1 |
2 |
0 |
0.000 |
22 |
26 |
|
D |
14 |
3 |
17067 |
◊ |
A |
x-1/2,-y+1/2,-z |
4_455 |
18 |
6 |
17948 |
162.4 |
0.2 |
0.587 |
2 |
1 |
0 |
0.000 |
23 |
27 |
|
D |
20 |
8 |
17067 |
◊ |
E |
x-1/2,-y+1/2,-z |
4_455 |
17 |
9 |
12439 |
135.0 |
2.1 |
0.836 |
2 |
4 |
0 |
0.000 |
24 |
28 |
|
C |
8 |
4 |
17749 |
◊ |
F |
-x,y-1/2,-z+1/2 |
3_545 |
10 |
3 |
17748 |
94.8 |
0.9 |
0.740 |
0 |
0 |
0 |
0.000 |
25 |
29 |
|
A |
9 |
4 |
17948 |
◊ |
F |
-x+1/2,-y+1,z-1/2 |
2_564 |
7 |
2 |
17748 |
86.2 |
0.2 |
0.403 |
0 |
0 |
0 |
0.000 |
26 |
30 |
|
C |
9 |
5 |
17749 |
x |
C |
x-1/2,-y+1/2,-z |
4_455 |
19 |
8 |
17749 |
82.4 |
0.8 |
0.759 |
3 |
0 |
0 |
0.000 |
27 |
31 |
|
[GTP]A:501 |
9 |
1 |
631 |
◊ |
B |
x,y,z |
1_555 |
5 |
2 |
17557 |
50.6 |
1.0 |
0.765 |
1 |
0 |
0 |
0.000 |
32 |
|
[GTP]C:501 |
7 |
1 |
632 |
◊ |
D |
x,y,z |
1_555 |
3 |
2 |
17067 |
43.5 |
0.9 |
0.779 |
1 |
0 |
0 |
0.000 |
Average: |
47.1 |
1.0 |
0.772 |
1 |
0 |
0 |
0.000 |
28 |
33 |
|
[MG]B:502 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
7 |
3 |
17557 |
50.3 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.075 |
34 |
|
[MG]D:502 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
3 |
2 |
17067 |
37.7 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.075 |
Average: |
44.0 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.075 |
29 |
35 |
|
[CA]A:504 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
12 |
7 |
17948 |
46.1 |
-7.0 |
0.000 |
0 |
0 |
0 |
0.103 |
30 |
36 |
|
[MG]A:502 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
13 |
6 |
17948 |
44.1 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.076 |
37 |
|
[MG]C:502 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
13 |
6 |
17749 |
42.5 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.076 |
Average: |
43.3 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.076 |
31 |
38 |
|
[CA]A:503 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
6 |
6 |
17948 |
42.9 |
-12.7 |
0.000 |
0 |
0 |
0 |
0.188 |
32 |
39 |
|
[CA]B:503 |
1 |
1 |
85 |
f |
B |
x,y,z |
1_555 |
7 |
3 |
17557 |
36.1 |
-6.1 |
0.000 |
0 |
0 |
0 |
0.092 |
33 |
40 |
|
[MG]F:402 |
1 |
1 |
98 |
f |
F |
x,y,z |
1_555 |
6 |
4 |
17748 |
33.3 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.027 |
34 |
41 |
|
[ACP]F:401 |
7 |
1 |
583 |
f |
[MG]F:402 |
x,y,z |
1_555 |
1 |
1 |
98 |
32.8 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.032 |
35 |
42 |
|
[MG]C:502 |
1 |
1 |
98 |
f |
[GTP]C:501 |
x,y,z |
1_555 |
4 |
1 |
632 |
32.6 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.069 |
43 |
|
[MG]A:502 |
1 |
1 |
98 |
f |
[GTP]A:501 |
x,y,z |
1_555 |
5 |
1 |
631 |
32.1 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.069 |
Average: |
32.4 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.069 |
36 |
44 |
|
[GDP]D:501 |
6 |
1 |
561 |
f |
[MG]D:502 |
x,y,z |
1_555 |
1 |
1 |
98 |
32.2 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.074 |
45 |
|
[GDP]B:501 |
7 |
1 |
555 |
f |
[MG]B:502 |
x,y,z |
1_555 |
1 |
1 |
98 |
30.3 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.074 |
Average: |
31.2 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.074 |
37 |
46 |
|
[MES]B:504 |
4 |
1 |
334 |
f |
A |
x,y,z |
1_555 |
5 |
2 |
17948 |
31.6 |
0.3 |
0.087 |
0 |
0 |
0 |
0.000 |
38 |
47 |
|
C |
6 |
4 |
17749 |
◊ |
[CA]B:503 |
x-1/2,-y+1/2,-z |
4_455 |
1 |
1 |
85 |
30.9 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.000 |
39 |
48 |
|
B |
4 |
2 |
17557 |
◊ |
E |
-x+1/2,-y+1,z-1/2 |
2_564 |
3 |
2 |
12439 |
28.7 |
-0.4 |
0.380 |
0 |
0 |
0 |
0.000 |
40 |
49 |
|
B |
1 |
1 |
17557 |
◊ |
F |
-x+1/2,-y+1,z-1/2 |
2_564 |
3 |
1 |
17748 |
24.1 |
-0.6 |
0.150 |
0 |
0 |
0 |
0.000 |
41 |
50 |
|
[ACP]F:401 |
4 |
1 |
583 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
17948 |
21.2 |
-0.2 |
0.367 |
0 |
0 |
0 |
0.000 |
42 |
51 |
|
[MG]F:402 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
5 |
1 |
17948 |
20.0 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.011 |
43 |
52 |
|
[MG]A:502 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
17557 |
13.3 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.008 |
53 |
|
[MG]C:502 |
1 |
1 |
98 |
◊ |
D |
x,y,z |
1_555 |
2 |
1 |
17067 |
12.5 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.008 |
Average: |
12.9 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.008 |
44 |
54 |
|
[CA]A:504 |
1 |
1 |
85 |
◊ |
E |
x,y,z |
1_555 |
1 |
1 |
12439 |
9.9 |
-1.4 |
0.000 |
0 |
0 |
0 |
0.021 |
45 |
55 |
|
[MG]B:502 |
1 |
1 |
98 |
◊ |
C |
x,y,z |
1_555 |
2 |
1 |
17749 |
9.8 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.011 |
46 |
56 |
|
[7AK]D:503 |
1 |
1 |
728 |
◊ |
A |
x-1/2,-y+1/2,-z |
4_455 |
1 |
1 |
17948 |
4.9 |
0.1 |
0.675 |
0 |
0 |
0 |
0.000 |
|