| ## |
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 |
136 |
34 |
12531 |
◊ |
A |
x,y,z |
1_555 |
177 |
49 |
17704 |
1583.2 |
-18.4 |
0.142 |
20 |
5 |
0 |
0.357 |
| 2 |
2 |
|
B |
142 |
37 |
17069 |
◊ |
A |
x,y,z |
1_555 |
140 |
33 |
17704 |
1342.3 |
-15.0 |
0.074 |
13 |
9 |
0 |
0.338 |
3 |
|
D |
138 |
36 |
17402 |
◊ |
C |
x,y,z |
1_555 |
144 |
36 |
17669 |
1331.6 |
-13.2 |
0.127 |
13 |
8 |
0 |
0.338 |
| Average: |
1337.0 |
-14.1 |
0.101 |
13 |
9 |
0 |
0.338 |
| 3 |
4 |
|
D |
128 |
34 |
17402 |
◊ |
F |
-x,y-1/2,-z+1/2 |
3_545 |
131 |
30 |
17870 |
1153.6 |
2.0 |
0.676 |
20 |
3 |
0 |
0.000 |
| 4 |
5 |
|
B |
89 |
24 |
17069 |
◊ |
C |
x,y,z |
1_555 |
106 |
29 |
17669 |
840.3 |
-7.8 |
0.247 |
14 |
2 |
0 |
0.238 |
| 5 |
6 |
|
F |
80 |
21 |
17870 |
◊ |
A |
x,y,z |
1_555 |
88 |
23 |
17704 |
771.2 |
2.3 |
0.695 |
8 |
8 |
0 |
0.000 |
| 6 |
7 |
|
E |
77 |
16 |
12531 |
◊ |
C |
x,y,z |
1_555 |
88 |
26 |
17669 |
770.0 |
-9.8 |
0.187 |
8 |
4 |
0 |
0.397 |
| 7 |
8 |
|
E |
58 |
17 |
12531 |
◊ |
D |
x,y,z |
1_555 |
80 |
24 |
17402 |
667.3 |
-5.8 |
0.380 |
5 |
2 |
0 |
0.101 |
| 8 |
9 |
|
E |
57 |
15 |
12531 |
◊ |
B |
x,y,z |
1_555 |
80 |
21 |
17069 |
624.3 |
-2.6 |
0.596 |
5 |
5 |
0 |
0.070 |
| 9 |
10 |
|
C |
61 |
18 |
17669 |
◊ |
E |
x-1/2,-y+1/2,-z |
4_455 |
45 |
11 |
12531 |
504.7 |
-2.3 |
0.560 |
5 |
2 |
0 |
0.000 |
| 10 |
11 |
|
[EPB]D:502 |
30 |
1 |
719 |
f |
D |
x,y,z |
1_555 |
63 |
20 |
17402 |
481.0 |
-4.8 |
0.382 |
3 |
0 |
0 |
0.102 |
| 11 |
12 |
|
F |
52 |
13 |
17870 |
◊ |
B |
x,y,z |
1_555 |
52 |
14 |
17069 |
476.4 |
-0.2 |
0.569 |
7 |
1 |
0 |
0.000 |
| 12 |
13 |
|
[ACP]F:401 |
31 |
1 |
641 |
f |
F |
x,y,z |
1_555 |
54 |
23 |
17870 |
435.7 |
0.4 |
0.665 |
11 |
0 |
0 |
0.100 |
| 13 |
14 |
|
[GTP]C:501 |
31 |
1 |
630 |
f |
C |
x,y,z |
1_555 |
65 |
30 |
17669 |
411.2 |
-2.9 |
0.589 |
20 |
0 |
0 |
0.335 |
15 |
|
[GTP]A:501 |
32 |
1 |
633 |
f |
A |
x,y,z |
1_555 |
68 |
30 |
17704 |
408.9 |
-3.0 |
0.554 |
19 |
0 |
0 |
0.335 |
| Average: |
410.1 |
-3.0 |
0.571 |
20 |
0 |
0 |
0.335 |
| 14 |
16 |
|
C |
48 |
11 |
17669 |
◊ |
A |
-x,y-1/2,-z+1/2 |
3_545 |
42 |
11 |
17704 |
407.9 |
1.7 |
0.828 |
5 |
3 |
0 |
0.000 |
| 15 |
17 |
|
[GDP]B:501 |
27 |
1 |
558 |
f |
B |
x,y,z |
1_555 |
65 |
29 |
17069 |
401.7 |
-6.4 |
0.584 |
14 |
0 |
0 |
0.210 |
18 |
|
[GDP]D:501 |
27 |
1 |
564 |
f |
D |
x,y,z |
1_555 |
59 |
27 |
17402 |
398.1 |
-6.6 |
0.551 |
13 |
0 |
0 |
0.210 |
| Average: |
399.9 |
-6.5 |
0.567 |
14 |
0 |
0 |
0.210 |
| 16 |
19 |
|
C |
37 |
13 |
17669 |
◊ |
A |
-x+1/2,-y+1,z-1/2 |
2_564 |
36 |
14 |
17704 |
328.7 |
-1.1 |
0.492 |
3 |
0 |
0 |
0.000 |
| 17 |
20 |
|
C |
27 |
10 |
17669 |
◊ |
E |
-x+1/2,-y+1,z-1/2 |
2_564 |
26 |
6 |
12531 |
233.4 |
-0.2 |
0.654 |
4 |
0 |
0 |
0.000 |
| 18 |
21 |
|
[MES]B:505 |
12 |
1 |
340 |
f |
B |
x,y,z |
1_555 |
35 |
11 |
17069 |
222.0 |
6.4 |
0.416 |
0 |
0 |
0 |
0.000 |
| 19 |
22 |
|
B |
22 |
5 |
17069 |
◊ |
D |
x-1/2,-y+1/2,-z |
4_455 |
28 |
8 |
17402 |
207.8 |
-1.3 |
0.424 |
0 |
0 |
0 |
0.000 |
| 20 |
23 |
|
[MES]B:504 |
12 |
1 |
342 |
◊ |
B |
x,y,z |
1_555 |
29 |
12 |
17069 |
201.6 |
8.1 |
0.478 |
0 |
0 |
0 |
0.000 |
| 21 |
24 |
|
D |
16 |
4 |
17402 |
◊ |
A |
x-1/2,-y+1/2,-z |
4_455 |
24 |
10 |
17704 |
200.2 |
0.3 |
0.668 |
0 |
0 |
0 |
0.000 |
| 22 |
25 |
|
C |
25 |
6 |
17669 |
◊ |
B |
x-1/2,-y+1/2,-z |
4_455 |
29 |
9 |
17069 |
188.8 |
-1.8 |
0.355 |
2 |
0 |
0 |
0.000 |
| 23 |
26 |
|
D |
13 |
5 |
17402 |
◊ |
E |
x-1/2,-y+1/2,-z |
4_455 |
15 |
8 |
12531 |
119.4 |
2.9 |
0.889 |
3 |
3 |
0 |
0.000 |
| 24 |
27 |
|
C |
8 |
4 |
17669 |
◊ |
F |
-x,y-1/2,-z+1/2 |
3_545 |
10 |
3 |
17870 |
99.0 |
0.1 |
0.621 |
0 |
0 |
0 |
0.000 |
| 25 |
28 |
|
B |
9 |
3 |
17069 |
◊ |
E |
x-1/2,-y+1/2,-z |
4_455 |
10 |
5 |
12531 |
95.9 |
-1.1 |
0.452 |
0 |
0 |
0 |
0.000 |
| 26 |
29 |
|
[CL]A:504 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
9 |
5 |
17704 |
61.2 |
-9.2 |
0.000 |
0 |
0 |
0 |
0.117 |
| 27 |
30 |
|
[GTP]A:501 |
9 |
1 |
633 |
◊ |
B |
x,y,z |
1_555 |
3 |
2 |
17069 |
52.2 |
1.0 |
0.804 |
1 |
0 |
0 |
0.000 |
31 |
|
[GTP]C:501 |
7 |
1 |
630 |
◊ |
D |
x,y,z |
1_555 |
3 |
2 |
17402 |
47.2 |
1.1 |
0.803 |
1 |
0 |
0 |
0.000 |
| Average: |
49.7 |
1.1 |
0.803 |
1 |
0 |
0 |
0.000 |
| 28 |
32 |
|
A |
6 |
2 |
17704 |
◊ |
F |
-x+1/2,-y+1,z-1/2 |
2_564 |
5 |
2 |
17870 |
51.5 |
1.0 |
0.812 |
0 |
0 |
0 |
0.000 |
| 29 |
33 |
|
[MG]B:502 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
6 |
3 |
17069 |
48.4 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.084 |
| 30 |
34 |
|
[MG]A:502 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
13 |
6 |
17704 |
43.3 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.144 |
35 |
|
[MG]C:502 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
13 |
6 |
17669 |
43.0 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.144 |
| Average: |
43.1 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.144 |
| 31 |
36 |
|
[CA]A:503 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
3 |
3 |
17704 |
42.8 |
-12.8 |
0.000 |
0 |
0 |
0 |
0.163 |
| 32 |
37 |
|
[CA]E:201 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
10 |
6 |
17704 |
37.4 |
-5.7 |
0.000 |
0 |
0 |
0 |
0.072 |
| 33 |
38 |
|
B |
5 |
2 |
17069 |
◊ |
E |
-x+1/2,-y+1,z-1/2 |
2_564 |
5 |
2 |
12531 |
34.1 |
-0.5 |
0.375 |
0 |
0 |
0 |
0.000 |
| 34 |
39 |
|
[MES]B:504 |
4 |
1 |
342 |
f |
A |
x,y,z |
1_555 |
5 |
3 |
17704 |
33.2 |
0.4 |
0.084 |
0 |
0 |
0 |
0.000 |
| 35 |
40 |
|
[MG]A:502 |
1 |
1 |
98 |
f |
[GTP]A:501 |
x,y,z |
1_555 |
5 |
1 |
633 |
32.7 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.124 |
41 |
|
[MG]C:502 |
1 |
1 |
98 |
f |
[GTP]C:501 |
x,y,z |
1_555 |
5 |
1 |
630 |
32.2 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.124 |
| Average: |
32.5 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.124 |
| 36 |
42 |
|
[GDP]B:501 |
7 |
1 |
558 |
f |
[MG]B:502 |
x,y,z |
1_555 |
1 |
1 |
98 |
30.8 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.076 |
| 37 |
43 |
|
[MG]B:506 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
6 |
2 |
17069 |
30.7 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.056 |
| 38 |
44 |
|
[CA]B:503 |
1 |
1 |
85 |
f |
B |
x,y,z |
1_555 |
4 |
2 |
17069 |
28.9 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.080 |
| 39 |
45 |
|
C |
7 |
2 |
17669 |
◊ |
[MG]B:506 |
x-1/2,-y+1/2,-z |
4_455 |
1 |
1 |
98 |
25.5 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.000 |
| 40 |
46 |
|
C |
6 |
4 |
17669 |
◊ |
[CA]B:503 |
x-1/2,-y+1/2,-z |
4_455 |
1 |
1 |
85 |
22.4 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.000 |
| 41 |
47 |
|
C |
4 |
2 |
17669 |
x |
C |
x-1/2,-y+1/2,-z |
4_455 |
7 |
3 |
17669 |
19.8 |
-0.4 |
0.448 |
0 |
0 |
0 |
0.000 |
| 42 |
48 |
|
[CA]E:201 |
1 |
1 |
85 |
◊ |
E |
x,y,z |
1_555 |
1 |
1 |
12531 |
16.5 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.030 |
| 43 |
49 |
|
[MG]A:502 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
17069 |
12.7 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.008 |
50 |
|
[MG]C:502 |
1 |
1 |
98 |
◊ |
D |
x,y,z |
1_555 |
1 |
1 |
17402 |
11.9 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.008 |
| Average: |
12.3 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.008 |
| 44 |
51 |
|
B |
2 |
1 |
17069 |
◊ |
F |
-x+1/2,-y+1,z-1/2 |
2_564 |
2 |
2 |
17870 |
10.1 |
-0.2 |
0.441 |
0 |
0 |
0 |
0.000 |
| 45 |
52 |
|
[MG]B:502 |
1 |
1 |
98 |
◊ |
C |
x,y,z |
1_555 |
2 |
1 |
17669 |
7.8 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.010 |
|