## |
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 |
137 |
34 |
12498 |
◊ |
A |
x,y,z |
1_555 |
177 |
47 |
17803 |
1527.8 |
-18.6 |
0.151 |
19 |
6 |
0 |
0.497 |
2 |
2 |
|
B |
145 |
37 |
18046 |
◊ |
A |
x,y,z |
1_555 |
147 |
36 |
17803 |
1389.8 |
-13.4 |
0.126 |
14 |
12 |
0 |
0.298 |
3 |
|
D |
145 |
38 |
17573 |
◊ |
C |
x,y,z |
1_555 |
142 |
35 |
17987 |
1321.6 |
-12.0 |
0.202 |
15 |
11 |
0 |
0.298 |
Average: |
1355.7 |
-12.7 |
0.164 |
15 |
12 |
0 |
0.298 |
3 |
4 |
|
B |
97 |
28 |
18046 |
◊ |
C |
x,y,z |
1_555 |
111 |
30 |
17987 |
932.5 |
-10.8 |
0.120 |
14 |
1 |
0 |
0.250 |
4 |
5 |
|
F |
79 |
22 |
17113 |
◊ |
A |
x,y,z |
1_555 |
93 |
25 |
17803 |
798.9 |
-0.8 |
0.676 |
7 |
7 |
0 |
0.000 |
5 |
6 |
|
E |
74 |
16 |
12498 |
◊ |
C |
x,y,z |
1_555 |
85 |
26 |
17987 |
795.6 |
-10.1 |
0.192 |
7 |
4 |
0 |
0.335 |
6 |
7 |
|
D |
83 |
23 |
17573 |
◊ |
F |
-x,y-1/2,-z+1/2 |
3_545 |
88 |
25 |
17113 |
794.3 |
3.6 |
0.759 |
13 |
3 |
0 |
0.000 |
7 |
8 |
|
E |
62 |
17 |
12498 |
◊ |
D |
x,y,z |
1_555 |
79 |
23 |
17573 |
698.1 |
-4.7 |
0.479 |
4 |
3 |
0 |
0.077 |
8 |
9 |
|
E |
59 |
15 |
12498 |
◊ |
B |
x,y,z |
1_555 |
81 |
21 |
18046 |
638.1 |
-2.5 |
0.556 |
5 |
5 |
0 |
0.054 |
9 |
10 |
|
C |
62 |
19 |
17987 |
◊ |
E |
x-1/2,-y+1/2,-z |
4_455 |
45 |
12 |
12498 |
508.0 |
-0.7 |
0.688 |
6 |
4 |
0 |
0.000 |
10 |
11 |
|
F |
50 |
13 |
17113 |
◊ |
B |
x,y,z |
1_555 |
48 |
13 |
18046 |
478.4 |
1.0 |
0.722 |
4 |
1 |
0 |
0.000 |
11 |
12 |
|
[ACP]F:401 |
31 |
1 |
617 |
f |
F |
x,y,z |
1_555 |
57 |
22 |
17113 |
420.3 |
0.1 |
0.671 |
10 |
0 |
0 |
0.031 |
12 |
13 |
|
[GTP]A:501 |
31 |
1 |
631 |
f |
A |
x,y,z |
1_555 |
65 |
30 |
17803 |
415.7 |
-2.9 |
0.559 |
18 |
0 |
0 |
0.277 |
14 |
|
[GTP]C:501 |
32 |
1 |
630 |
f |
C |
x,y,z |
1_555 |
65 |
29 |
17987 |
411.2 |
-2.5 |
0.595 |
20 |
0 |
0 |
0.277 |
Average: |
413.5 |
-2.7 |
0.577 |
19 |
0 |
0 |
0.277 |
13 |
15 |
|
[GDP]D:501 |
28 |
1 |
559 |
f |
D |
x,y,z |
1_555 |
65 |
27 |
17573 |
401.2 |
-7.2 |
0.489 |
9 |
0 |
0 |
0.183 |
16 |
|
[GDP]B:501 |
27 |
1 |
563 |
f |
B |
x,y,z |
1_555 |
63 |
27 |
18046 |
392.2 |
-6.8 |
0.544 |
13 |
0 |
0 |
0.183 |
Average: |
396.7 |
-7.0 |
0.517 |
11 |
0 |
0 |
0.183 |
14 |
17 |
|
C |
33 |
12 |
17987 |
◊ |
A |
-x+1/2,-y+1,z-1/2 |
2_564 |
35 |
12 |
17803 |
311.4 |
-1.5 |
0.503 |
2 |
0 |
0 |
0.000 |
15 |
18 |
|
C |
34 |
9 |
17987 |
◊ |
A |
-x,y-1/2,-z+1/2 |
3_545 |
32 |
11 |
17803 |
290.3 |
-0.0 |
0.661 |
0 |
1 |
0 |
0.000 |
16 |
19 |
|
D |
26 |
8 |
17573 |
◊ |
A |
x-1/2,-y+1/2,-z |
4_455 |
26 |
9 |
17803 |
257.2 |
-1.0 |
0.463 |
1 |
2 |
0 |
0.000 |
17 |
20 |
|
C |
30 |
11 |
17987 |
◊ |
E |
-x+1/2,-y+1,z-1/2 |
2_564 |
25 |
6 |
12498 |
242.9 |
-0.6 |
0.597 |
2 |
0 |
0 |
0.000 |
18 |
21 |
|
[X0S]C:504 |
12 |
1 |
341 |
f |
C |
x,y,z |
1_555 |
38 |
14 |
17987 |
239.3 |
-0.5 |
0.324 |
1 |
0 |
0 |
0.024 |
19 |
22 |
|
B |
23 |
5 |
18046 |
◊ |
D |
x-1/2,-y+1/2,-z |
4_455 |
28 |
7 |
17573 |
230.6 |
-0.4 |
0.537 |
2 |
4 |
0 |
0.000 |
20 |
23 |
|
C |
27 |
7 |
17987 |
◊ |
B |
x-1/2,-y+1/2,-z |
4_455 |
30 |
9 |
18046 |
197.2 |
-0.8 |
0.527 |
1 |
0 |
0 |
0.000 |
21 |
24 |
|
[MES]B:504 |
12 |
1 |
335 |
◊ |
B |
x,y,z |
1_555 |
28 |
11 |
18046 |
192.6 |
6.9 |
0.369 |
0 |
0 |
0 |
0.000 |
22 |
25 |
|
[X0S]B:505 |
12 |
1 |
334 |
f |
B |
x,y,z |
1_555 |
31 |
10 |
18046 |
187.6 |
-1.3 |
0.401 |
0 |
0 |
0 |
0.019 |
23 |
26 |
|
B |
14 |
5 |
18046 |
◊ |
E |
x-1/2,-y+1/2,-z |
4_455 |
20 |
9 |
12498 |
169.8 |
-0.0 |
0.675 |
0 |
3 |
0 |
0.000 |
24 |
27 |
|
D |
19 |
6 |
17573 |
◊ |
E |
x-1/2,-y+1/2,-z |
4_455 |
14 |
8 |
12498 |
141.0 |
2.6 |
0.869 |
2 |
4 |
0 |
0.000 |
25 |
28 |
|
A |
11 |
4 |
17803 |
◊ |
F |
-x+1/2,-y+1,z-1/2 |
2_564 |
9 |
3 |
17113 |
102.7 |
0.6 |
0.616 |
1 |
1 |
0 |
0.000 |
26 |
29 |
|
C |
6 |
3 |
17987 |
x |
C |
x-1/2,-y+1/2,-z |
4_455 |
17 |
7 |
17987 |
85.6 |
0.8 |
0.781 |
2 |
0 |
0 |
0.000 |
27 |
30 |
|
B |
7 |
4 |
18046 |
◊ |
E |
-x+1/2,-y+1,z-1/2 |
2_564 |
4 |
2 |
12498 |
53.6 |
-0.7 |
0.376 |
0 |
0 |
0 |
0.000 |
28 |
31 |
|
[MG]B:502 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
7 |
3 |
18046 |
53.4 |
-5.3 |
0.000 |
0 |
0 |
0 |
0.077 |
32 |
|
[MG]D:502 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
4 |
3 |
17573 |
47.1 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.077 |
Average: |
50.2 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.077 |
29 |
33 |
|
[MG]A:502 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
11 |
5 |
17803 |
43.4 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.112 |
34 |
|
[MG]C:502 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
13 |
7 |
17987 |
41.3 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.112 |
Average: |
42.4 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.112 |
30 |
35 |
|
[GTP]C:501 |
7 |
1 |
630 |
◊ |
D |
x,y,z |
1_555 |
3 |
2 |
17573 |
42.8 |
0.7 |
0.753 |
1 |
0 |
0 |
0.000 |
36 |
|
[GTP]A:501 |
5 |
1 |
631 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
18046 |
35.2 |
0.6 |
0.751 |
1 |
0 |
0 |
0.000 |
Average: |
39.0 |
0.7 |
0.752 |
1 |
0 |
0 |
0.000 |
31 |
37 |
|
[CA]A:504 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
12 |
6 |
17803 |
41.7 |
-6.7 |
0.000 |
0 |
0 |
0 |
0.120 |
32 |
38 |
|
[MG]F:402 |
1 |
1 |
98 |
f |
F |
x,y,z |
1_555 |
5 |
3 |
17113 |
39.5 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.032 |
33 |
39 |
|
[MES]B:504 |
4 |
1 |
335 |
◊ |
A |
x,y,z |
1_555 |
6 |
4 |
17803 |
39.3 |
0.3 |
0.079 |
0 |
0 |
0 |
0.000 |
34 |
40 |
|
[ACP]F:401 |
3 |
1 |
617 |
f |
[MG]F:402 |
x,y,z |
1_555 |
1 |
1 |
98 |
36.4 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.037 |
35 |
41 |
|
C |
8 |
4 |
17987 |
f |
[CA]B:503 |
x-1/2,-y+1/2,-z |
4_455 |
1 |
1 |
85 |
33.9 |
-6.1 |
0.000 |
0 |
0 |
0 |
0.150 |
36 |
42 |
|
[MG]C:502 |
1 |
1 |
98 |
f |
[GTP]C:501 |
x,y,z |
1_555 |
5 |
1 |
630 |
32.6 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.105 |
43 |
|
[MG]A:502 |
1 |
1 |
98 |
f |
[GTP]A:501 |
x,y,z |
1_555 |
5 |
1 |
631 |
32.2 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.105 |
Average: |
32.4 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.105 |
37 |
44 |
|
[GDP]D:501 |
5 |
1 |
559 |
f |
[MG]D:502 |
x,y,z |
1_555 |
1 |
1 |
98 |
31.3 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.072 |
45 |
|
[GDP]B:501 |
4 |
1 |
563 |
f |
[MG]B:502 |
x,y,z |
1_555 |
1 |
1 |
98 |
27.6 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.072 |
Average: |
29.5 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.072 |
38 |
46 |
|
[X0S]B:505 |
3 |
1 |
334 |
◊ |
C |
x,y,z |
1_555 |
4 |
2 |
17987 |
31.0 |
0.4 |
0.458 |
1 |
0 |
0 |
0.000 |
39 |
47 |
|
[CA]B:503 |
1 |
1 |
85 |
◊ |
B |
x,y,z |
1_555 |
5 |
2 |
18046 |
28.1 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.000 |
40 |
48 |
|
B |
1 |
1 |
18046 |
◊ |
F |
-x+1/2,-y+1,z-1/2 |
2_564 |
3 |
1 |
17113 |
21.4 |
-0.6 |
0.167 |
0 |
0 |
0 |
0.000 |
41 |
49 |
|
[X0S]C:504 |
1 |
1 |
341 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
18046 |
15.2 |
0.3 |
0.376 |
0 |
0 |
0 |
0.000 |
42 |
50 |
|
[MG]A:502 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
18046 |
14.9 |
-0.7 |
0.000 |
0 |
0 |
0 |
0.012 |
51 |
|
[MG]C:502 |
1 |
1 |
98 |
◊ |
D |
x,y,z |
1_555 |
2 |
1 |
17573 |
14.7 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.012 |
Average: |
14.8 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.012 |
43 |
52 |
|
[CA]A:504 |
1 |
1 |
85 |
◊ |
E |
x,y,z |
1_555 |
1 |
1 |
12498 |
14.1 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.036 |
44 |
53 |
|
[MG]B:502 |
1 |
1 |
98 |
◊ |
C |
x,y,z |
1_555 |
3 |
1 |
17987 |
10.8 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.013 |
45 |
54 |
|
[X0S]B:505 |
2 |
1 |
334 |
f |
[GDP]B:501 |
x,y,z |
1_555 |
2 |
1 |
563 |
9.3 |
-0.2 |
0.442 |
0 |
0 |
0 |
0.003 |
46 |
55 |
|
[MES]B:504 |
1 |
1 |
335 |
f |
E |
x,y,z |
1_555 |
1 |
1 |
12498 |
5.7 |
0.1 |
0.325 |
0 |
0 |
0 |
0.000 |
47 |
56 |
|
D |
1 |
1 |
17573 |
◊ |
B |
x-1/2,-y+1/2,-z |
4_455 |
1 |
1 |
18046 |
1.0 |
0.0 |
0.618 |
0 |
0 |
0 |
0.000 |
|