| ## |
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 |
|
D |
106 |
26 |
13053 |
◊ |
C |
x,y,z |
1_555 |
107 |
26 |
13298 |
937.2 |
-4.7 |
0.481 |
7 |
1 |
0 |
0.083 |
2 |
|
B |
104 |
26 |
12948 |
◊ |
A |
x,y,z |
1_555 |
104 |
25 |
13055 |
923.5 |
-4.5 |
0.529 |
8 |
0 |
0 |
0.083 |
| Average: |
930.4 |
-4.6 |
0.505 |
8 |
1 |
0 |
0.083 |
| 2 |
3 |
|
B |
61 |
16 |
12948 |
◊ |
D |
-x+1,y-1/2,-z+2 |
2_647 |
59 |
19 |
13053 |
573.6 |
-3.4 |
0.436 |
9 |
0 |
0 |
0.000 |
4 |
|
A |
64 |
18 |
13055 |
◊ |
C |
-x+1,y-1/2,-z+1 |
2_646 |
62 |
15 |
13298 |
567.8 |
-3.7 |
0.396 |
9 |
0 |
0 |
0.000 |
| Average: |
570.7 |
-3.5 |
0.416 |
9 |
0 |
0 |
0.000 |
| 3 |
5 |
|
E |
57 |
15 |
13461 |
◊ |
A |
x,y,z |
1_555 |
55 |
16 |
13055 |
502.8 |
-3.1 |
0.450 |
5 |
1 |
0 |
0.000 |
6 |
|
F |
56 |
15 |
13656 |
◊ |
D |
x,y-1,z |
1_545 |
54 |
16 |
13053 |
489.0 |
-3.5 |
0.410 |
4 |
0 |
0 |
0.000 |
| Average: |
495.9 |
-3.3 |
0.430 |
5 |
1 |
0 |
0.000 |
| 4 |
7 |
|
E |
54 |
17 |
13461 |
◊ |
B |
x,y,z |
1_555 |
48 |
14 |
12948 |
457.4 |
-0.5 |
0.651 |
7 |
0 |
0 |
0.000 |
8 |
|
F |
39 |
15 |
13656 |
◊ |
C |
x,y-1,z |
1_545 |
37 |
11 |
13298 |
298.1 |
-0.4 |
0.613 |
6 |
0 |
0 |
0.000 |
| Average: |
377.7 |
-0.4 |
0.632 |
7 |
0 |
0 |
0.000 |
| 5 |
9 |
|
F |
56 |
17 |
13656 |
◊ |
E |
x,y,z |
1_555 |
46 |
16 |
13461 |
450.9 |
-5.1 |
0.259 |
2 |
0 |
0 |
0.000 |
| 6 |
10 |
|
F |
41 |
16 |
13656 |
◊ |
E |
x-1,y,z |
1_455 |
52 |
15 |
13461 |
392.2 |
-2.5 |
0.476 |
2 |
0 |
0 |
0.000 |
| 7 |
11 |
|
C |
38 |
11 |
13298 |
◊ |
A |
x-1,y,z |
1_455 |
38 |
9 |
13055 |
336.1 |
-0.8 |
0.598 |
2 |
1 |
0 |
0.000 |
| 8 |
12 |
|
B |
31 |
9 |
12948 |
◊ |
D |
-x+2,y-1/2,-z+2 |
2_747 |
27 |
8 |
13053 |
231.1 |
-1.1 |
0.529 |
1 |
0 |
0 |
0.000 |
| 9 |
13 |
|
E |
28 |
7 |
13461 |
◊ |
D |
-x+2,y-1/2,-z+2 |
2_747 |
33 |
11 |
13053 |
217.7 |
0.7 |
0.730 |
0 |
0 |
0 |
0.000 |
| 10 |
14 |
|
[MES]E:255 |
11 |
1 |
334 |
f |
E |
x,y,z |
1_555 |
29 |
12 |
13461 |
216.8 |
4.8 |
0.316 |
0 |
0 |
0 |
0.000 |
| 11 |
15 |
|
[MES]F:254 |
12 |
1 |
335 |
f |
F |
x,y,z |
1_555 |
33 |
13 |
13656 |
208.1 |
5.5 |
0.316 |
0 |
0 |
0 |
0.000 |
| 12 |
16 |
|
D |
24 |
7 |
13053 |
◊ |
B |
x,y,z |
1_555 |
25 |
8 |
12948 |
192.6 |
0.9 |
0.736 |
1 |
2 |
0 |
0.000 |
| 13 |
17 |
|
[MES]F:253 |
11 |
1 |
336 |
f |
F |
x,y,z |
1_555 |
23 |
7 |
13656 |
156.2 |
5.1 |
0.187 |
0 |
0 |
0 |
0.000 |
| 14 |
18 |
|
F |
14 |
4 |
13656 |
◊ |
A |
-x+1,y-1/2,-z+1 |
2_646 |
18 |
7 |
13055 |
137.0 |
0.3 |
0.658 |
0 |
0 |
0 |
0.000 |
19 |
|
E |
12 |
4 |
13461 |
◊ |
D |
-x+1,y-1/2,-z+2 |
2_647 |
18 |
7 |
13053 |
117.0 |
0.6 |
0.717 |
1 |
0 |
0 |
0.000 |
| Average: |
127.0 |
0.4 |
0.688 |
1 |
0 |
0 |
0.000 |
| 15 |
20 |
|
E |
15 |
5 |
13461 |
◊ |
B |
-x+2,y-1/2,-z+2 |
2_747 |
18 |
8 |
12948 |
121.7 |
0.4 |
0.709 |
1 |
0 |
0 |
0.000 |
| 16 |
21 |
|
[SO4]D:253 |
5 |
1 |
184 |
f |
D |
x,y,z |
1_555 |
25 |
11 |
13053 |
113.8 |
-17.2 |
0.712 |
7 |
0 |
0 |
0.205 |
| 17 |
22 |
|
[SO4]C:253 |
5 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
24 |
12 |
13298 |
113.7 |
-17.4 |
0.658 |
9 |
0 |
0 |
0.216 |
| 18 |
23 |
|
[SO4]A:253 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
20 |
11 |
13055 |
113.6 |
-17.5 |
0.734 |
9 |
0 |
0 |
0.222 |
| 19 |
24 |
|
[SO4]B:253 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
23 |
11 |
12948 |
109.7 |
-17.2 |
0.720 |
9 |
0 |
0 |
0.219 |
| 20 |
25 |
|
[SO4]E:254 |
5 |
1 |
187 |
f |
E |
x,y,z |
1_555 |
17 |
7 |
13461 |
109.6 |
-14.8 |
0.728 |
2 |
0 |
0 |
0.048 |
| 21 |
26 |
|
[SO4]B:254 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
20 |
7 |
12948 |
106.4 |
-16.5 |
0.670 |
3 |
0 |
0 |
0.184 |
| 22 |
27 |
|
[SO4]C:254 |
4 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
11 |
4 |
13298 |
71.3 |
-10.6 |
0.602 |
1 |
0 |
0 |
0.111 |
| 23 |
28 |
|
[NA]F:252 |
1 |
1 |
125 |
f |
F |
x,y,z |
1_555 |
9 |
7 |
13656 |
69.9 |
-10.8 |
0.000 |
0 |
0 |
0 |
0.233 |
29 |
|
[NA]C:252 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
9 |
5 |
13298 |
69.7 |
-11.4 |
0.000 |
0 |
0 |
0 |
0.233 |
30 |
|
[NA]D:252 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
9 |
5 |
13053 |
69.6 |
-11.4 |
0.000 |
0 |
0 |
0 |
0.233 |
31 |
|
[NA]B:252 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
8 |
5 |
12948 |
69.1 |
-11.6 |
0.000 |
0 |
0 |
0 |
0.233 |
32 |
|
[NA]A:252 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
10 |
7 |
13055 |
68.2 |
-11.0 |
0.000 |
0 |
0 |
0 |
0.233 |
33 |
|
[NA]E:252 |
1 |
1 |
125 |
f |
E |
x,y,z |
1_555 |
11 |
7 |
13461 |
67.9 |
-10.1 |
0.000 |
0 |
0 |
0 |
0.233 |
| Average: |
69.1 |
-11.0 |
0.000 |
0 |
0 |
0 |
0.233 |
| 24 |
34 |
|
C |
8 |
3 |
13298 |
◊ |
B |
x,y,z |
1_555 |
8 |
2 |
12948 |
69.3 |
1.1 |
0.821 |
1 |
0 |
0 |
0.000 |
| 25 |
35 |
|
[SO4]C:254 |
4 |
1 |
186 |
◊ |
D |
x,y,z |
1_555 |
11 |
4 |
13053 |
63.8 |
-9.2 |
0.595 |
1 |
0 |
0 |
0.097 |
| 26 |
36 |
|
[MES]F:254 |
6 |
1 |
335 |
f |
[MES]F:253 |
x,y,z |
1_555 |
6 |
1 |
336 |
60.0 |
2.8 |
0.020 |
0 |
0 |
0 |
0.000 |
| 27 |
37 |
|
F |
5 |
2 |
13656 |
◊ |
C |
-x+1,y-1/2,-z+1 |
2_646 |
9 |
3 |
13298 |
51.9 |
1.0 |
0.803 |
1 |
1 |
0 |
0.000 |
| 28 |
38 |
|
[SO4]E:253 |
4 |
1 |
185 |
f |
E |
x,y,z |
1_555 |
7 |
2 |
13461 |
50.7 |
-6.2 |
0.624 |
0 |
0 |
0 |
0.019 |
| 29 |
39 |
|
[MES]E:255 |
5 |
1 |
334 |
f |
[SO4]E:253 |
x,y,z |
1_555 |
4 |
1 |
185 |
47.5 |
-5.2 |
0.201 |
0 |
0 |
0 |
0.016 |
| 30 |
40 |
|
C |
4 |
2 |
13298 |
x |
C |
x-1,y,z |
1_455 |
6 |
3 |
13298 |
46.6 |
0.9 |
0.818 |
0 |
0 |
0 |
0.000 |
| 31 |
41 |
|
A |
8 |
3 |
13055 |
x |
A |
x-1,y,z |
1_455 |
6 |
1 |
13055 |
44.5 |
-0.6 |
0.453 |
0 |
0 |
0 |
0.000 |
| 32 |
42 |
|
D |
3 |
2 |
13053 |
x |
D |
x-1,y,z |
1_455 |
6 |
1 |
13053 |
35.4 |
-0.4 |
0.311 |
0 |
0 |
0 |
0.000 |
| 33 |
43 |
|
[SO4]D:253 |
4 |
1 |
184 |
◊ |
C |
x,y,z |
1_555 |
3 |
2 |
13298 |
34.0 |
-2.1 |
0.983 |
1 |
0 |
0 |
0.026 |
| 34 |
44 |
|
[SO4]B:253 |
4 |
1 |
186 |
◊ |
A |
x,y,z |
1_555 |
3 |
2 |
13055 |
32.7 |
-2.6 |
0.966 |
1 |
0 |
0 |
0.031 |
| 35 |
45 |
|
[SO4]C:253 |
4 |
1 |
185 |
◊ |
D |
x,y,z |
1_555 |
3 |
2 |
13053 |
32.6 |
-3.2 |
0.932 |
1 |
0 |
0 |
0.037 |
| 36 |
46 |
|
B |
3 |
1 |
12948 |
x |
B |
x-1,y,z |
1_455 |
3 |
2 |
12948 |
29.4 |
0.1 |
0.516 |
0 |
0 |
0 |
0.000 |
| 37 |
47 |
|
[SO4]A:253 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
4 |
2 |
12948 |
26.8 |
-2.1 |
0.958 |
1 |
0 |
0 |
0.027 |
| 38 |
48 |
|
F |
1 |
1 |
13656 |
◊ |
B |
-x+2,y-1/2,-z+2 |
2_747 |
1 |
1 |
12948 |
1.2 |
0.1 |
0.739 |
0 |
0 |
0 |
0.000 |
|