| ## |
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 |
12520 |
◊ |
A |
x,y,z |
1_555 |
175 |
46 |
17585 |
1550.4 |
-20.1 |
0.116 |
18 |
4 |
0 |
0.397 |
| 2 |
2 |
|
D |
141 |
37 |
17633 |
◊ |
C |
x,y,z |
1_555 |
141 |
36 |
17709 |
1329.2 |
-11.9 |
0.183 |
14 |
10 |
0 |
0.316 |
3 |
|
B |
128 |
34 |
17299 |
◊ |
A |
x,y,z |
1_555 |
139 |
35 |
17585 |
1216.8 |
-12.2 |
0.132 |
12 |
8 |
0 |
0.316 |
| Average: |
1273.0 |
-12.1 |
0.158 |
13 |
9 |
0 |
0.316 |
| 3 |
4 |
|
B |
101 |
29 |
17299 |
◊ |
C |
x,y,z |
1_555 |
108 |
30 |
17709 |
901.5 |
-7.7 |
0.292 |
15 |
2 |
0 |
0.204 |
| 4 |
5 |
|
E |
79 |
16 |
12520 |
◊ |
C |
x,y,z |
1_555 |
87 |
26 |
17709 |
779.8 |
-10.8 |
0.177 |
7 |
3 |
0 |
0.412 |
| 5 |
6 |
|
F |
77 |
22 |
16537 |
◊ |
A |
x,y,z |
1_555 |
85 |
22 |
17585 |
758.7 |
1.2 |
0.758 |
7 |
8 |
0 |
0.000 |
| 6 |
7 |
|
D |
87 |
24 |
17633 |
◊ |
F |
-x,y-1/2,-z+1/2 |
3_545 |
83 |
22 |
16537 |
745.2 |
3.9 |
0.837 |
13 |
2 |
0 |
0.000 |
| 7 |
8 |
|
E |
62 |
17 |
12520 |
◊ |
D |
x,y,z |
1_555 |
87 |
22 |
17633 |
683.2 |
-6.6 |
0.345 |
4 |
6 |
0 |
0.108 |
| 8 |
9 |
|
E |
63 |
15 |
12520 |
◊ |
B |
x,y,z |
1_555 |
82 |
22 |
17299 |
639.9 |
-5.1 |
0.455 |
6 |
6 |
0 |
0.100 |
| 9 |
10 |
|
C |
67 |
21 |
17709 |
◊ |
E |
x-1/2,-y+1/2,-z |
4_455 |
50 |
13 |
12520 |
515.8 |
-3.6 |
0.515 |
5 |
3 |
0 |
0.000 |
| 10 |
11 |
|
[ACP]F:402 |
31 |
1 |
614 |
f |
F |
x,y,z |
1_555 |
61 |
26 |
16537 |
439.1 |
-1.7 |
0.589 |
14 |
0 |
0 |
0.044 |
| 11 |
12 |
|
[GTP]C:501 |
32 |
1 |
631 |
f |
C |
x,y,z |
1_555 |
67 |
30 |
17709 |
410.3 |
-2.8 |
0.588 |
19 |
0 |
0 |
0.322 |
13 |
|
[GTP]A:501 |
31 |
1 |
629 |
f |
A |
x,y,z |
1_555 |
61 |
30 |
17585 |
407.7 |
-3.0 |
0.552 |
19 |
0 |
0 |
0.322 |
| Average: |
409.0 |
-2.9 |
0.570 |
19 |
0 |
0 |
0.322 |
| 12 |
14 |
|
F |
46 |
14 |
16537 |
◊ |
B |
x,y,z |
1_555 |
50 |
13 |
17299 |
399.5 |
1.1 |
0.688 |
4 |
2 |
0 |
0.000 |
| 13 |
15 |
|
[GDP]B:502 |
27 |
1 |
560 |
f |
B |
x,y,z |
1_555 |
65 |
28 |
17299 |
399.1 |
-6.5 |
0.587 |
13 |
0 |
0 |
0.212 |
16 |
|
[GDP]D:501 |
28 |
1 |
560 |
f |
D |
x,y,z |
1_555 |
65 |
31 |
17633 |
396.8 |
-6.9 |
0.548 |
14 |
0 |
0 |
0.212 |
| Average: |
398.0 |
-6.7 |
0.567 |
14 |
0 |
0 |
0.212 |
| 14 |
17 |
|
[UGI]B:501 |
28 |
1 |
572 |
f |
B |
x,y,z |
1_555 |
51 |
21 |
17299 |
370.8 |
-3.6 |
0.382 |
2 |
0 |
0 |
0.063 |
| 15 |
18 |
|
C |
46 |
11 |
17709 |
◊ |
A |
-x,y-1/2,-z+1/2 |
3_545 |
39 |
12 |
17585 |
358.9 |
0.5 |
0.746 |
4 |
4 |
0 |
0.000 |
| 16 |
19 |
|
C |
35 |
12 |
17709 |
◊ |
A |
-x+1/2,-y+1,z-1/2 |
2_564 |
32 |
12 |
17585 |
302.9 |
-1.4 |
0.477 |
2 |
0 |
0 |
0.000 |
| 17 |
20 |
|
D |
30 |
7 |
17633 |
◊ |
A |
x-1/2,-y+1/2,-z |
4_455 |
36 |
14 |
17585 |
271.5 |
1.5 |
0.745 |
1 |
1 |
0 |
0.000 |
| 18 |
21 |
|
C |
34 |
12 |
17709 |
◊ |
E |
-x+1/2,-y+1,z-1/2 |
2_564 |
25 |
5 |
12520 |
253.7 |
-2.3 |
0.466 |
1 |
0 |
0 |
0.000 |
| 19 |
22 |
|
B |
24 |
5 |
17299 |
◊ |
D |
x-1/2,-y+1/2,-z |
4_455 |
30 |
7 |
17633 |
241.4 |
-0.2 |
0.600 |
3 |
4 |
0 |
0.000 |
| 20 |
23 |
|
[MES]B:506 |
12 |
1 |
336 |
◊ |
B |
x,y,z |
1_555 |
30 |
12 |
17299 |
198.7 |
8.4 |
0.467 |
0 |
0 |
0 |
0.000 |
| 21 |
24 |
|
C |
23 |
6 |
17709 |
◊ |
B |
x-1/2,-y+1/2,-z |
4_455 |
29 |
10 |
17299 |
196.4 |
-0.6 |
0.573 |
1 |
1 |
0 |
0.000 |
| 22 |
25 |
|
B |
16 |
5 |
17299 |
◊ |
E |
x-1/2,-y+1/2,-z |
4_455 |
17 |
8 |
12520 |
167.7 |
1.2 |
0.809 |
2 |
5 |
0 |
0.000 |
| 23 |
26 |
|
D |
14 |
6 |
17633 |
◊ |
E |
x-1/2,-y+1/2,-z |
4_455 |
16 |
6 |
12520 |
135.0 |
3.2 |
0.909 |
4 |
4 |
0 |
0.000 |
| 24 |
27 |
|
[GOL]A:505 |
6 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
16 |
9 |
17585 |
121.3 |
-1.0 |
0.403 |
2 |
0 |
0 |
0.027 |
| 25 |
28 |
|
[UGI]B:501 |
8 |
1 |
572 |
◊ |
A |
x,y,z |
1_555 |
16 |
6 |
17585 |
97.4 |
-1.5 |
0.328 |
0 |
0 |
0 |
0.016 |
| 26 |
29 |
|
C |
7 |
3 |
17709 |
x |
C |
x-1/2,-y+1/2,-z |
4_455 |
14 |
6 |
17709 |
78.3 |
0.6 |
0.733 |
3 |
0 |
0 |
0.000 |
| 27 |
30 |
|
A |
7 |
3 |
17585 |
◊ |
F |
-x+1/2,-y+1,z-1/2 |
2_564 |
9 |
2 |
16537 |
61.9 |
0.5 |
0.726 |
0 |
0 |
0 |
0.000 |
| 28 |
31 |
|
[MG]B:503 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
8 |
3 |
17299 |
51.7 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.072 |
32 |
|
[MG]D:502 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
4 |
2 |
17633 |
43.3 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.072 |
| Average: |
47.5 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.072 |
| 29 |
33 |
|
[GTP]C:501 |
8 |
1 |
631 |
◊ |
D |
x,y,z |
1_555 |
4 |
2 |
17633 |
47.5 |
0.9 |
0.770 |
1 |
0 |
0 |
0.000 |
34 |
|
[GTP]A:501 |
5 |
1 |
629 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
17299 |
31.9 |
0.6 |
0.753 |
1 |
0 |
0 |
0.000 |
| Average: |
39.7 |
0.8 |
0.762 |
1 |
0 |
0 |
0.000 |
| 30 |
35 |
|
[CA]A:503 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
5 |
5 |
17585 |
43.2 |
-12.8 |
0.000 |
0 |
0 |
0 |
0.177 |
| 31 |
36 |
|
[CA]A:504 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
13 |
7 |
17585 |
43.1 |
-6.8 |
0.000 |
0 |
0 |
0 |
0.094 |
| 32 |
37 |
|
[MG]C:502 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
13 |
6 |
17709 |
41.9 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.137 |
38 |
|
[MG]A:502 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
13 |
6 |
17585 |
40.2 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.137 |
| Average: |
41.1 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.137 |
| 33 |
39 |
|
[MG]F:401 |
1 |
1 |
98 |
f |
F |
x,y,z |
1_555 |
4 |
3 |
16537 |
41.6 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.028 |
| 34 |
40 |
|
[ACP]F:402 |
4 |
1 |
614 |
f |
[MG]F:401 |
x,y,z |
1_555 |
1 |
1 |
98 |
36.0 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.028 |
| 35 |
41 |
|
[MES]B:506 |
5 |
1 |
336 |
◊ |
A |
x,y,z |
1_555 |
5 |
3 |
17585 |
35.5 |
0.4 |
0.054 |
0 |
0 |
0 |
0.000 |
| 36 |
42 |
|
[MG]C:502 |
1 |
1 |
98 |
f |
[GTP]C:501 |
x,y,z |
1_555 |
4 |
1 |
631 |
32.5 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.128 |
43 |
|
[MG]A:502 |
1 |
1 |
98 |
f |
[GTP]A:501 |
x,y,z |
1_555 |
5 |
1 |
629 |
31.3 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.128 |
| Average: |
31.9 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.128 |
| 37 |
44 |
|
[GDP]D:501 |
7 |
1 |
560 |
f |
[MG]D:502 |
x,y,z |
1_555 |
1 |
1 |
98 |
32.1 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.075 |
45 |
|
[GDP]B:502 |
7 |
1 |
560 |
f |
[MG]B:503 |
x,y,z |
1_555 |
1 |
1 |
98 |
30.3 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.075 |
| Average: |
31.2 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.075 |
| 38 |
46 |
|
B |
5 |
3 |
17299 |
◊ |
E |
-x+1/2,-y+1,z-1/2 |
2_564 |
4 |
2 |
12520 |
30.3 |
-0.7 |
0.384 |
0 |
0 |
0 |
0.000 |
| 39 |
47 |
|
[CA]B:505 |
1 |
1 |
85 |
f |
B |
x,y,z |
1_555 |
5 |
2 |
17299 |
29.8 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.066 |
| 40 |
48 |
|
[CA]B:504 |
1 |
1 |
85 |
f |
B |
x,y,z |
1_555 |
6 |
2 |
17299 |
29.4 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.068 |
| 41 |
49 |
|
C |
7 |
4 |
17709 |
◊ |
[CA]B:505 |
x-1/2,-y+1/2,-z |
4_455 |
1 |
1 |
85 |
28.0 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.000 |
| 42 |
50 |
|
C |
4 |
2 |
17709 |
◊ |
[CA]B:504 |
x-1/2,-y+1/2,-z |
4_455 |
1 |
1 |
85 |
19.0 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.000 |
| 43 |
51 |
|
[MG]A:502 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
4 |
2 |
17299 |
18.6 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.012 |
52 |
|
[MG]C:502 |
1 |
1 |
98 |
◊ |
D |
x,y,z |
1_555 |
2 |
1 |
17633 |
13.0 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.012 |
| Average: |
15.8 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.012 |
| 44 |
53 |
|
[CA]A:504 |
1 |
1 |
85 |
◊ |
E |
x,y,z |
1_555 |
1 |
1 |
12520 |
15.9 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.031 |
| 45 |
54 |
|
[MG]B:503 |
1 |
1 |
98 |
◊ |
C |
x,y,z |
1_555 |
2 |
1 |
17709 |
9.3 |
-0.7 |
0.000 |
0 |
0 |
0 |
0.010 |
| 46 |
55 |
|
B |
1 |
1 |
17299 |
◊ |
F |
-x+1/2,-y+1,z-1/2 |
2_564 |
1 |
1 |
16537 |
3.2 |
-0.0 |
0.530 |
0 |
0 |
0 |
0.000 |
| 47 |
56 |
|
[MES]B:506 |
1 |
1 |
336 |
f |
E |
x,y,z |
1_555 |
1 |
1 |
12520 |
0.5 |
-0.0 |
0.320 |
0 |
0 |
0 |
0.100 |
|