| ## |
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 |
|
B |
223 |
68 |
11532 |
◊ |
A |
x,y,z |
1_555 |
209 |
57 |
12815 |
1946.4 |
-26.3 |
0.045 |
6 |
1 |
1 |
0.764 |
2 |
|
L |
211 |
63 |
11495 |
◊ |
H |
x,y,z |
1_555 |
204 |
56 |
12594 |
1919.0 |
-29.0 |
0.023 |
6 |
1 |
1 |
0.764 |
| Average: |
1932.7 |
-27.7 |
0.034 |
6 |
1 |
1 |
0.764 |
| 2 |
3 |
|
F |
214 |
63 |
11495 |
◊ |
E |
x,y,z |
1_555 |
206 |
58 |
12566 |
1946.2 |
-26.1 |
0.037 |
3 |
1 |
1 |
1.000 |
4 |
|
D |
204 |
62 |
11480 |
◊ |
C |
x,y,z |
1_555 |
201 |
54 |
12469 |
1888.6 |
-26.9 |
0.032 |
2 |
0 |
1 |
1.000 |
| Average: |
1917.4 |
-26.5 |
0.034 |
3 |
1 |
1 |
1.000 |
| 3 |
5 |
|
E |
53 |
14 |
12566 |
◊ |
C |
-x+1,y-1/2,-z+1 |
2_646 |
52 |
13 |
12469 |
515.2 |
-4.1 |
0.443 |
0 |
4 |
0 |
0.000 |
| 4 |
6 |
|
A |
37 |
12 |
12815 |
◊ |
H |
x-1,y,z |
1_455 |
43 |
14 |
12594 |
388.6 |
-2.9 |
0.491 |
3 |
0 |
0 |
0.000 |
| 5 |
7 |
|
E |
47 |
16 |
12566 |
◊ |
A |
-x+1,y-1/2,-z+1 |
2_646 |
50 |
16 |
12815 |
366.8 |
-3.6 |
0.454 |
0 |
0 |
0 |
0.000 |
8 |
|
H |
48 |
15 |
12594 |
◊ |
C |
x-1,y,z-1 |
1_454 |
47 |
14 |
12469 |
364.3 |
-3.9 |
0.428 |
0 |
0 |
0 |
0.000 |
| Average: |
365.5 |
-3.8 |
0.441 |
0 |
0 |
0 |
0.000 |
| 6 |
9 |
|
B |
46 |
15 |
11532 |
◊ |
D |
x-1,y,z |
1_455 |
40 |
15 |
11480 |
366.0 |
2.4 |
0.841 |
2 |
3 |
0 |
0.000 |
| 7 |
10 |
|
D |
34 |
10 |
11480 |
◊ |
B |
x,y,z |
1_555 |
41 |
14 |
11532 |
364.3 |
2.0 |
0.800 |
0 |
0 |
0 |
0.000 |
11 |
|
F |
35 |
10 |
11495 |
◊ |
L |
-x,y-1/2,-z |
2_545 |
34 |
11 |
11495 |
286.9 |
1.2 |
0.750 |
0 |
0 |
0 |
0.000 |
| Average: |
325.6 |
1.6 |
0.775 |
0 |
0 |
0 |
0.000 |
| 8 |
12 |
|
E |
22 |
9 |
12566 |
◊ |
H |
x,y,z |
1_555 |
28 |
11 |
12594 |
221.4 |
0.0 |
0.724 |
0 |
1 |
0 |
0.000 |
13 |
|
C |
17 |
7 |
12469 |
◊ |
A |
-x,y-1/2,-z+1 |
2_546 |
29 |
13 |
12815 |
189.1 |
-0.8 |
0.561 |
0 |
3 |
0 |
0.000 |
| Average: |
205.2 |
-0.4 |
0.643 |
0 |
2 |
0 |
0.000 |
| 9 |
14 |
|
B |
20 |
7 |
11532 |
◊ |
H |
x,y,z |
1_555 |
27 |
9 |
12594 |
211.2 |
3.6 |
0.934 |
1 |
0 |
0 |
0.000 |
| 10 |
15 |
|
F |
22 |
7 |
11495 |
◊ |
D |
x,y,z |
1_555 |
17 |
8 |
11480 |
198.6 |
-1.5 |
0.362 |
0 |
0 |
0 |
0.000 |
| 11 |
16 |
|
E |
20 |
7 |
12566 |
◊ |
L |
-x+1,y-1/2,-z |
2_645 |
25 |
6 |
11495 |
190.2 |
-0.8 |
0.567 |
0 |
0 |
0 |
0.000 |
| 12 |
17 |
|
D |
19 |
6 |
11480 |
◊ |
H |
-x+1,y-1/2,-z+1 |
2_646 |
20 |
5 |
12594 |
184.9 |
1.1 |
0.721 |
0 |
0 |
0 |
0.000 |
18 |
|
A |
19 |
7 |
12815 |
◊ |
F |
x-1,y,z |
1_455 |
15 |
4 |
11495 |
158.4 |
0.9 |
0.776 |
0 |
0 |
0 |
0.000 |
| Average: |
171.7 |
1.0 |
0.748 |
0 |
0 |
0 |
0.000 |
| 13 |
19 |
|
B |
19 |
5 |
11532 |
◊ |
E |
x-1,y,z |
1_455 |
22 |
8 |
12566 |
169.6 |
-0.2 |
0.562 |
1 |
0 |
0 |
0.000 |
| 14 |
20 |
|
C |
17 |
10 |
12469 |
◊ |
H |
-x+1,y-1/2,-z+1 |
2_646 |
15 |
4 |
12594 |
169.4 |
-3.2 |
0.174 |
0 |
0 |
0 |
0.000 |
21 |
|
A |
11 |
3 |
12815 |
◊ |
E |
x-1,y,z |
1_455 |
9 |
4 |
12566 |
86.3 |
-1.5 |
0.288 |
0 |
0 |
0 |
0.000 |
| Average: |
127.9 |
-2.4 |
0.231 |
0 |
0 |
0 |
0.000 |
| 15 |
22 |
|
A |
16 |
6 |
12815 |
◊ |
L |
x-1,y,z |
1_455 |
19 |
4 |
11495 |
158.8 |
-0.9 |
0.450 |
1 |
0 |
0 |
0.000 |
23 |
|
B |
14 |
3 |
11532 |
◊ |
H |
x-1,y,z |
1_455 |
15 |
6 |
12594 |
139.0 |
-2.1 |
0.293 |
0 |
0 |
0 |
0.000 |
| Average: |
148.9 |
-1.5 |
0.371 |
1 |
0 |
0 |
0.000 |
| 16 |
24 |
|
C |
18 |
6 |
12469 |
◊ |
L |
-x+1,y-1/2,-z+1 |
2_646 |
18 |
3 |
11495 |
158.2 |
-1.6 |
0.298 |
0 |
0 |
0 |
0.000 |
| 17 |
25 |
|
A |
13 |
6 |
12815 |
◊ |
D |
x-1,y,z |
1_455 |
16 |
7 |
11480 |
128.2 |
0.3 |
0.464 |
0 |
0 |
0 |
0.000 |
| 18 |
26 |
|
F |
14 |
4 |
11495 |
◊ |
E |
x-1,y,z |
1_455 |
10 |
3 |
12566 |
94.4 |
-0.6 |
0.489 |
1 |
0 |
0 |
0.000 |
| 19 |
27 |
|
B |
14 |
5 |
11532 |
◊ |
C |
x-1,y,z-1 |
1_454 |
10 |
4 |
12469 |
86.7 |
0.1 |
0.630 |
0 |
0 |
0 |
0.000 |
| 20 |
28 |
|
L |
11 |
5 |
11495 |
x |
L |
x-1,y,z |
1_455 |
9 |
4 |
11495 |
83.1 |
0.3 |
0.625 |
0 |
0 |
0 |
0.000 |
| 21 |
29 |
|
[SO4]B:1215 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
8 |
4 |
11532 |
81.2 |
-11.8 |
0.801 |
0 |
0 |
0 |
0.262 |
| 22 |
30 |
|
[SO4]H:1226 |
5 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
11 |
4 |
11532 |
79.6 |
-10.4 |
0.795 |
1 |
0 |
0 |
0.000 |
| 23 |
31 |
|
[SO4]H:1226 |
4 |
1 |
185 |
f |
H |
x,y,z |
1_555 |
12 |
5 |
12594 |
74.4 |
-10.2 |
0.749 |
2 |
0 |
0 |
0.236 |
| 24 |
32 |
|
L |
8 |
4 |
11495 |
◊ |
D |
x-1,y,z-1 |
1_454 |
7 |
4 |
11480 |
70.3 |
0.0 |
0.620 |
0 |
0 |
0 |
0.000 |
33 |
|
F |
7 |
4 |
11495 |
◊ |
B |
-x+1,y-1/2,-z+1 |
2_646 |
6 |
4 |
11532 |
62.6 |
-0.1 |
0.579 |
0 |
0 |
0 |
0.000 |
| Average: |
66.5 |
-0.0 |
0.600 |
0 |
0 |
0 |
0.000 |
| 25 |
34 |
|
C |
7 |
2 |
12469 |
◊ |
B |
x,y,z |
1_555 |
8 |
3 |
11532 |
65.9 |
0.7 |
0.749 |
0 |
0 |
0 |
0.000 |
35 |
|
E |
7 |
2 |
12566 |
◊ |
L |
-x,y-1/2,-z |
2_545 |
9 |
4 |
11495 |
57.5 |
0.2 |
0.675 |
0 |
0 |
0 |
0.000 |
| Average: |
61.7 |
0.4 |
0.712 |
0 |
0 |
0 |
0.000 |
| 26 |
36 |
|
F |
3 |
2 |
11495 |
◊ |
A |
-x+1,y-1/2,-z+1 |
2_646 |
5 |
2 |
12815 |
57.9 |
-1.5 |
0.088 |
0 |
0 |
0 |
0.000 |
37 |
|
H |
5 |
2 |
12594 |
◊ |
D |
x-1,y,z-1 |
1_454 |
4 |
2 |
11480 |
56.8 |
-1.5 |
0.129 |
0 |
0 |
0 |
0.000 |
| Average: |
57.4 |
-1.5 |
0.109 |
0 |
0 |
0 |
0.000 |
| 27 |
38 |
|
E |
5 |
2 |
12566 |
◊ |
B |
-x+1,y-1/2,-z+1 |
2_646 |
4 |
2 |
11532 |
57.4 |
-1.5 |
0.123 |
0 |
0 |
0 |
0.000 |
39 |
|
L |
4 |
2 |
11495 |
◊ |
C |
x-1,y,z-1 |
1_454 |
5 |
2 |
12469 |
50.6 |
-1.4 |
0.146 |
0 |
0 |
0 |
0.000 |
| Average: |
54.0 |
-1.4 |
0.135 |
0 |
0 |
0 |
0.000 |
| 28 |
40 |
|
D |
4 |
2 |
11480 |
◊ |
L |
-x+1,y-1/2,-z+1 |
2_646 |
9 |
3 |
11495 |
52.3 |
-0.3 |
0.501 |
0 |
0 |
0 |
0.000 |
| 29 |
41 |
|
H |
12 |
8 |
12594 |
◊ |
C |
x,y,z-1 |
1_554 |
6 |
4 |
12469 |
46.5 |
1.1 |
0.747 |
0 |
0 |
0 |
0.000 |
| 30 |
42 |
|
[SO4]B:1215 |
4 |
1 |
186 |
◊ |
H |
x,y,z |
1_555 |
7 |
3 |
12594 |
40.5 |
-3.9 |
0.961 |
0 |
0 |
0 |
0.000 |
| 31 |
43 |
|
E |
5 |
2 |
12566 |
◊ |
C |
x,y,z-1 |
1_554 |
3 |
1 |
12469 |
34.1 |
-0.7 |
0.289 |
0 |
0 |
0 |
0.000 |
| 32 |
44 |
|
H |
6 |
3 |
12594 |
◊ |
A |
x,y,z |
1_555 |
5 |
2 |
12815 |
24.9 |
-0.1 |
0.612 |
0 |
0 |
0 |
0.000 |
| 33 |
45 |
|
D |
3 |
2 |
11480 |
◊ |
A |
-x,y-1/2,-z+1 |
2_546 |
2 |
2 |
12815 |
7.4 |
0.1 |
0.688 |
0 |
0 |
0 |
0.000 |
| 34 |
46 |
|
F |
1 |
1 |
11495 |
◊ |
H |
-x+1,y-1/2,-z+1 |
2_646 |
3 |
1 |
12594 |
7.2 |
0.1 |
0.725 |
0 |
0 |
0 |
0.000 |
|