| ## |
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 |
|
G |
85 |
29 |
15444 |
◊ |
D |
x,y,z |
1_555 |
75 |
27 |
15330 |
791.5 |
-8.9 |
0.234 |
11 |
4 |
1 |
0.546 |
2 |
|
B |
73 |
25 |
15585 |
◊ |
C |
x-1,y,z |
1_455 |
81 |
28 |
15350 |
753.3 |
-8.4 |
0.195 |
11 |
4 |
1 |
0.546 |
3 |
|
H |
75 |
28 |
15215 |
◊ |
E |
x,y,z |
1_555 |
75 |
27 |
15592 |
716.9 |
-11.0 |
0.101 |
7 |
0 |
1 |
0.546 |
4 |
|
F |
68 |
25 |
15407 |
◊ |
A |
x,y,z |
1_555 |
64 |
23 |
15516 |
661.2 |
-9.7 |
0.107 |
9 |
8 |
1 |
0.546 |
| Average: |
730.7 |
-9.5 |
0.159 |
10 |
4 |
1 |
0.546 |
| 2 |
5 |
|
D |
62 |
18 |
15330 |
◊ |
C |
x,y,z |
1_555 |
69 |
18 |
15350 |
596.9 |
-0.7 |
0.735 |
7 |
6 |
0 |
0.000 |
6 |
|
F |
68 |
18 |
15407 |
◊ |
E |
x-1,y,z |
1_455 |
66 |
18 |
15592 |
591.9 |
-1.4 |
0.663 |
6 |
5 |
0 |
0.000 |
| Average: |
594.4 |
-1.0 |
0.699 |
7 |
6 |
0 |
0.000 |
| 3 |
7 |
|
G |
55 |
20 |
15444 |
◊ |
A |
x-1,y-1,z-1 |
1_444 |
58 |
20 |
15516 |
563.0 |
-0.6 |
0.707 |
3 |
4 |
0 |
0.000 |
| 4 |
8 |
|
[ADP]F:402 |
27 |
1 |
560 |
f |
F |
x,y,z |
1_555 |
57 |
23 |
15407 |
358.7 |
-4.4 |
0.628 |
8 |
0 |
0 |
0.391 |
9 |
|
[ADP]A:402 |
27 |
1 |
565 |
f |
A |
x,y,z |
1_555 |
58 |
23 |
15516 |
358.5 |
-4.1 |
0.589 |
10 |
0 |
0 |
0.391 |
10 |
|
[ADP]C:402 |
27 |
1 |
566 |
f |
C |
x,y,z |
1_555 |
54 |
23 |
15350 |
356.7 |
-4.0 |
0.585 |
9 |
0 |
0 |
0.391 |
11 |
|
[ADP]B:402 |
27 |
1 |
562 |
f |
B |
x,y,z |
1_555 |
53 |
24 |
15585 |
355.2 |
-3.9 |
0.590 |
9 |
0 |
0 |
0.391 |
| Average: |
357.3 |
-4.1 |
0.598 |
9 |
0 |
0 |
0.391 |
| 5 |
12 |
|
[ADP]D:402 |
27 |
1 |
555 |
f |
D |
x,y,z |
1_555 |
58 |
24 |
15330 |
358.3 |
-4.0 |
0.629 |
10 |
0 |
0 |
0.510 |
13 |
|
[ADP]H:402 |
27 |
1 |
564 |
f |
H |
x,y,z |
1_555 |
55 |
24 |
15215 |
354.6 |
-4.8 |
0.588 |
10 |
0 |
0 |
0.510 |
14 |
|
[ADP]G:402 |
27 |
1 |
566 |
f |
G |
x,y,z |
1_555 |
53 |
23 |
15444 |
347.4 |
-4.3 |
0.591 |
10 |
0 |
0 |
0.510 |
15 |
|
[ADP]E:402 |
27 |
1 |
560 |
f |
E |
x,y,z |
1_555 |
53 |
23 |
15592 |
342.7 |
-4.0 |
0.516 |
8 |
0 |
0 |
0.510 |
| Average: |
350.8 |
-4.3 |
0.581 |
10 |
0 |
0 |
0.510 |
| 6 |
16 |
|
H |
38 |
11 |
15215 |
◊ |
C |
x-1,y,z-1 |
1_454 |
40 |
13 |
15350 |
353.8 |
-1.9 |
0.483 |
4 |
1 |
0 |
0.000 |
17 |
|
E |
38 |
12 |
15592 |
◊ |
B |
x,y,z-1 |
1_554 |
36 |
9 |
15585 |
331.6 |
-1.1 |
0.527 |
4 |
3 |
0 |
0.000 |
| Average: |
342.7 |
-1.5 |
0.505 |
4 |
2 |
0 |
0.000 |
| 7 |
18 |
|
H |
33 |
12 |
15215 |
◊ |
B |
x,y,z-1 |
1_554 |
36 |
12 |
15585 |
343.2 |
0.5 |
0.778 |
2 |
0 |
0 |
0.000 |
| 8 |
19 |
|
E |
34 |
9 |
15592 |
◊ |
F |
x,y-1,z-1 |
1_544 |
35 |
10 |
15407 |
321.1 |
0.1 |
0.527 |
6 |
3 |
0 |
0.000 |
20 |
|
D |
31 |
10 |
15330 |
◊ |
C |
x-1,y-1,z-1 |
1_444 |
29 |
9 |
15350 |
307.1 |
-0.0 |
0.522 |
5 |
2 |
0 |
0.000 |
| Average: |
314.1 |
0.1 |
0.525 |
6 |
3 |
0 |
0.000 |
| 9 |
21 |
|
B |
27 |
11 |
15585 |
◊ |
A |
x-1,y-1,z |
1_445 |
37 |
13 |
15516 |
302.7 |
-4.0 |
0.204 |
2 |
0 |
0 |
0.000 |
| 10 |
22 |
|
D |
32 |
13 |
15330 |
◊ |
A |
x-1,y-1,z-1 |
1_444 |
26 |
8 |
15516 |
249.9 |
-1.1 |
0.501 |
3 |
3 |
0 |
0.000 |
23 |
|
G |
23 |
6 |
15444 |
◊ |
F |
x-1,y-1,z-1 |
1_444 |
24 |
9 |
15407 |
235.4 |
-0.5 |
0.596 |
3 |
3 |
0 |
0.000 |
| Average: |
242.6 |
-0.8 |
0.548 |
3 |
3 |
0 |
0.000 |
| 11 |
24 |
|
B |
29 |
13 |
15585 |
◊ |
A |
x,y,z |
1_555 |
21 |
9 |
15516 |
217.7 |
-2.2 |
0.352 |
2 |
0 |
0 |
0.000 |
| 12 |
25 |
|
[GAL]A:401 |
12 |
1 |
305 |
f |
A |
x,y,z |
1_555 |
40 |
16 |
15516 |
206.7 |
3.2 |
0.499 |
3 |
0 |
0 |
0.000 |
26 |
|
[GAL]G:401 |
12 |
1 |
304 |
f |
G |
x,y,z |
1_555 |
35 |
15 |
15444 |
203.2 |
3.1 |
0.494 |
4 |
0 |
0 |
0.000 |
| Average: |
204.9 |
3.1 |
0.497 |
4 |
0 |
0 |
0.000 |
| 13 |
27 |
|
[GAL]B:401 |
12 |
1 |
303 |
f |
B |
x,y,z |
1_555 |
39 |
17 |
15585 |
205.2 |
3.3 |
0.493 |
6 |
0 |
0 |
0.000 |
28 |
|
[GAL]E:401 |
12 |
1 |
302 |
f |
E |
x,y,z |
1_555 |
35 |
15 |
15592 |
204.9 |
3.2 |
0.464 |
6 |
0 |
0 |
0.000 |
29 |
|
[GAL]D:401 |
12 |
1 |
304 |
f |
D |
x,y,z |
1_555 |
35 |
16 |
15330 |
204.5 |
3.2 |
0.491 |
6 |
0 |
0 |
0.000 |
30 |
|
[GAL]H:401 |
12 |
1 |
304 |
f |
H |
x,y,z |
1_555 |
35 |
15 |
15215 |
202.4 |
2.8 |
0.475 |
6 |
0 |
0 |
0.000 |
31 |
|
[GAL]F:401 |
12 |
1 |
304 |
f |
F |
x,y,z |
1_555 |
36 |
15 |
15407 |
202.4 |
3.4 |
0.534 |
6 |
0 |
0 |
0.000 |
32 |
|
[GAL]C:401 |
12 |
1 |
304 |
f |
C |
x,y,z |
1_555 |
37 |
15 |
15350 |
202.2 |
3.1 |
0.463 |
6 |
0 |
0 |
0.000 |
| Average: |
203.6 |
3.2 |
0.487 |
6 |
0 |
0 |
0.000 |
| 14 |
33 |
|
F |
15 |
5 |
15407 |
◊ |
C |
x-1,y,z |
1_455 |
15 |
5 |
15350 |
140.2 |
-2.8 |
0.182 |
1 |
1 |
0 |
0.000 |
| 15 |
34 |
|
G |
12 |
4 |
15444 |
◊ |
A |
x,y,z |
1_555 |
14 |
5 |
15516 |
135.9 |
-1.0 |
0.411 |
2 |
0 |
0 |
0.000 |
| 16 |
35 |
|
[SO4]B:403 |
5 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
24 |
10 |
15585 |
131.2 |
-20.1 |
0.667 |
1 |
0 |
0 |
0.239 |
| 17 |
36 |
|
[SO4]C:403 |
5 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
25 |
10 |
15350 |
129.1 |
-19.7 |
0.687 |
3 |
0 |
0 |
0.245 |
| 18 |
37 |
|
D |
17 |
5 |
15330 |
◊ |
B |
x,y,z |
1_555 |
16 |
3 |
15585 |
126.5 |
1.1 |
0.752 |
1 |
3 |
0 |
0.000 |
| 19 |
38 |
|
G |
12 |
5 |
15444 |
◊ |
E |
x-1,y,z |
1_455 |
13 |
6 |
15592 |
117.2 |
-0.4 |
0.539 |
0 |
0 |
0 |
0.000 |
| 20 |
39 |
|
B |
13 |
4 |
15585 |
◊ |
H |
x-1,y-1,z |
1_445 |
17 |
5 |
15215 |
117.0 |
-1.5 |
0.401 |
1 |
0 |
0 |
0.000 |
| 21 |
40 |
|
D |
13 |
6 |
15330 |
◊ |
F |
x,y-1,z-1 |
1_544 |
13 |
4 |
15407 |
104.3 |
-1.4 |
0.325 |
0 |
0 |
0 |
0.000 |
| 22 |
41 |
|
D |
9 |
3 |
15330 |
◊ |
H |
x-1,y-1,z |
1_445 |
10 |
4 |
15215 |
101.1 |
-1.2 |
0.364 |
0 |
0 |
0 |
0.000 |
| 23 |
42 |
|
[SO4]B:404 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
9 |
5 |
15585 |
78.9 |
-10.0 |
0.882 |
3 |
0 |
0 |
0.132 |
| 24 |
43 |
|
[SO4]H:403 |
5 |
1 |
184 |
f |
H |
x,y,z |
1_555 |
8 |
5 |
15215 |
74.3 |
-8.9 |
0.939 |
4 |
0 |
0 |
0.238 |
| 25 |
44 |
|
G |
10 |
4 |
15444 |
◊ |
E |
x,y,z |
1_555 |
14 |
6 |
15592 |
73.6 |
-0.5 |
0.561 |
0 |
0 |
0 |
0.000 |
| 26 |
45 |
|
[SO4]F:403 |
5 |
1 |
185 |
f |
F |
x,y,z |
1_555 |
6 |
3 |
15407 |
70.9 |
-7.7 |
0.976 |
4 |
0 |
0 |
0.224 |
| 27 |
46 |
|
E |
8 |
2 |
15592 |
◊ |
D |
x,y,z |
1_555 |
5 |
3 |
15330 |
66.0 |
-0.8 |
0.317 |
0 |
0 |
0 |
0.000 |
| 28 |
47 |
|
F |
10 |
5 |
15407 |
◊ |
A |
x-1,y,z |
1_455 |
12 |
4 |
15516 |
60.9 |
0.0 |
0.520 |
0 |
0 |
0 |
0.000 |
| 29 |
48 |
|
E |
3 |
2 |
15592 |
◊ |
C |
x,y,z-1 |
1_554 |
7 |
4 |
15350 |
45.4 |
-0.5 |
0.409 |
0 |
0 |
0 |
0.000 |
| 30 |
49 |
|
D |
7 |
4 |
15330 |
◊ |
H |
x,y-1,z |
1_545 |
7 |
3 |
15215 |
42.8 |
-0.5 |
0.441 |
0 |
0 |
0 |
0.000 |
50 |
|
B |
2 |
2 |
15585 |
◊ |
F |
x,y-1,z |
1_545 |
2 |
2 |
15407 |
5.2 |
-0.0 |
0.564 |
0 |
0 |
0 |
0.000 |
| Average: |
24.0 |
-0.3 |
0.502 |
0 |
0 |
0 |
0.000 |
| 31 |
51 |
|
C |
7 |
4 |
15350 |
◊ |
A |
x,y,z |
1_555 |
6 |
4 |
15516 |
36.2 |
0.4 |
0.724 |
0 |
0 |
0 |
0.000 |
| 32 |
52 |
|
H |
5 |
3 |
15215 |
◊ |
A |
x,y,z-1 |
1_554 |
5 |
3 |
15516 |
32.4 |
-0.2 |
0.484 |
0 |
0 |
0 |
0.000 |
| 33 |
53 |
|
D |
5 |
2 |
15330 |
◊ |
E |
x-1,y-1,z |
1_445 |
2 |
1 |
15592 |
31.7 |
-0.8 |
0.207 |
0 |
0 |
0 |
0.000 |
| 34 |
54 |
|
C |
3 |
1 |
15350 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
15585 |
27.4 |
1.0 |
0.882 |
1 |
1 |
0 |
0.000 |
| 35 |
55 |
|
[SO4]B:404 |
3 |
1 |
185 |
◊ |
C |
x,y,z |
1_555 |
5 |
1 |
15350 |
26.2 |
-3.0 |
0.821 |
0 |
0 |
0 |
0.000 |
| 36 |
56 |
|
G |
4 |
2 |
15444 |
◊ |
C |
x-1,y,z |
1_455 |
1 |
1 |
15350 |
22.6 |
-0.7 |
0.159 |
0 |
0 |
0 |
0.000 |
| 37 |
57 |
|
[ADP]H:402 |
1 |
1 |
564 |
f |
[GAL]H:401 |
x,y,z |
1_555 |
1 |
1 |
304 |
2.8 |
-0.1 |
0.248 |
0 |
0 |
0 |
0.003 |
58 |
|
[ADP]B:402 |
1 |
1 |
562 |
f |
[GAL]B:401 |
x,y,z |
1_555 |
1 |
1 |
303 |
0.9 |
-0.0 |
0.248 |
0 |
0 |
0 |
0.003 |
| Average: |
1.8 |
-0.1 |
0.248 |
0 |
0 |
0 |
0.003 |
| 38 |
59 |
|
[ADP]D:402 |
1 |
1 |
555 |
f |
[GAL]D:401 |
x,y,z |
1_555 |
1 |
1 |
304 |
0.1 |
-0.0 |
0.283 |
0 |
0 |
0 |
0.000 |
|