## |
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 |
|
F |
142 |
42 |
8222 |
◊ |
E |
x,y,z |
1_555 |
142 |
43 |
7875 |
1404.4 |
-30.6 |
0.027 |
9 |
0 |
1 |
0.991 |
2 |
|
B |
139 |
40 |
8242 |
◊ |
A |
x,y,z |
1_555 |
140 |
42 |
7924 |
1399.7 |
-31.8 |
0.014 |
7 |
0 |
1 |
0.991 |
Average: |
1402.1 |
-31.2 |
0.020 |
8 |
0 |
1 |
0.991 |
2 |
3 |
|
G |
144 |
44 |
12983 |
◊ |
F |
x,y,z |
1_555 |
125 |
39 |
8222 |
1269.1 |
-10.4 |
0.599 |
15 |
3 |
0 |
1.000 |
4 |
|
C |
147 |
45 |
13041 |
◊ |
B |
x,y,z |
1_555 |
124 |
40 |
8242 |
1267.6 |
-8.5 |
0.650 |
18 |
3 |
0 |
1.000 |
5 |
|
D |
124 |
37 |
13366 |
◊ |
A |
x,y,z |
1_555 |
125 |
37 |
7924 |
1177.5 |
-10.7 |
0.546 |
14 |
2 |
0 |
1.000 |
6 |
|
H |
124 |
38 |
13265 |
◊ |
E |
x,y,z |
1_555 |
116 |
35 |
7875 |
1151.7 |
-10.2 |
0.560 |
12 |
2 |
0 |
1.000 |
Average: |
1216.5 |
-10.0 |
0.589 |
15 |
3 |
0 |
1.000 |
3 |
7 |
|
C |
80 |
24 |
13041 |
◊ |
H |
x-1,y,z |
1_455 |
88 |
27 |
13265 |
736.1 |
-1.0 |
0.672 |
5 |
0 |
0 |
0.103 |
8 |
|
G |
80 |
26 |
12983 |
◊ |
D |
x,y,z |
1_555 |
88 |
26 |
13366 |
720.2 |
-2.0 |
0.616 |
5 |
0 |
0 |
0.103 |
Average: |
728.1 |
-1.5 |
0.644 |
5 |
0 |
0 |
0.103 |
4 |
9 |
|
C |
47 |
10 |
13041 |
◊ |
A |
x,y,z |
1_555 |
54 |
14 |
7924 |
484.6 |
-7.6 |
0.234 |
4 |
4 |
0 |
0.238 |
10 |
|
G |
43 |
10 |
12983 |
◊ |
E |
x,y,z |
1_555 |
50 |
13 |
7875 |
482.2 |
-8.3 |
0.161 |
4 |
4 |
0 |
0.238 |
11 |
|
D |
45 |
11 |
13366 |
◊ |
B |
x,y,z |
1_555 |
53 |
13 |
8242 |
480.6 |
-7.2 |
0.244 |
6 |
4 |
0 |
0.238 |
12 |
|
H |
43 |
11 |
13265 |
◊ |
F |
x,y,z |
1_555 |
52 |
13 |
8222 |
470.8 |
-8.1 |
0.181 |
4 |
3 |
0 |
0.238 |
Average: |
479.5 |
-7.8 |
0.205 |
5 |
4 |
0 |
0.238 |
5 |
13 |
|
D |
56 |
17 |
13366 |
◊ |
F |
x,y,z-1 |
1_554 |
51 |
12 |
8222 |
468.7 |
-4.6 |
0.359 |
0 |
0 |
0 |
0.102 |
14 |
|
B |
49 |
10 |
8242 |
◊ |
H |
x-1,y,z-1 |
1_454 |
54 |
16 |
13265 |
462.3 |
-4.6 |
0.327 |
0 |
0 |
0 |
0.102 |
Average: |
465.5 |
-4.6 |
0.343 |
0 |
0 |
0 |
0.102 |
6 |
15 |
|
G |
23 |
10 |
12983 |
◊ |
A |
x,y,z |
1_555 |
31 |
10 |
7924 |
248.2 |
-1.8 |
0.432 |
0 |
0 |
0 |
0.000 |
16 |
|
C |
24 |
11 |
13041 |
◊ |
E |
x-1,y,z |
1_455 |
28 |
10 |
7875 |
243.1 |
-2.5 |
0.393 |
0 |
0 |
0 |
0.000 |
Average: |
245.6 |
-2.2 |
0.413 |
0 |
0 |
0 |
0.000 |
7 |
17 |
|
G |
23 |
8 |
12983 |
◊ |
H |
x,y-1,z |
1_545 |
22 |
9 |
13265 |
163.6 |
0.9 |
0.799 |
2 |
0 |
0 |
0.000 |
18 |
|
D |
23 |
9 |
13366 |
◊ |
C |
x,y-1,z |
1_545 |
22 |
8 |
13041 |
160.9 |
1.1 |
0.810 |
2 |
1 |
0 |
0.000 |
Average: |
162.2 |
1.0 |
0.805 |
2 |
1 |
0 |
0.000 |
8 |
19 |
|
H |
16 |
6 |
13265 |
◊ |
C |
x,y,z |
1_555 |
18 |
9 |
13041 |
153.9 |
-0.5 |
0.632 |
1 |
2 |
0 |
0.024 |
20 |
|
D |
15 |
6 |
13366 |
◊ |
G |
x-1,y,z |
1_455 |
16 |
9 |
12983 |
149.9 |
-0.7 |
0.610 |
1 |
2 |
0 |
0.024 |
Average: |
151.9 |
-0.6 |
0.621 |
1 |
2 |
0 |
0.024 |
9 |
21 |
|
D |
11 |
4 |
13366 |
◊ |
H |
x-1,y,z-1 |
1_454 |
12 |
3 |
13265 |
110.2 |
-0.8 |
0.513 |
1 |
0 |
0 |
0.000 |
22 |
|
D |
12 |
3 |
13366 |
◊ |
H |
x,y,z-1 |
1_554 |
11 |
4 |
13265 |
103.6 |
-0.1 |
0.673 |
0 |
0 |
0 |
0.000 |
Average: |
106.9 |
-0.5 |
0.593 |
1 |
0 |
0 |
0.000 |
10 |
23 |
|
[NAG]C:239 |
10 |
1 |
365 |
cf |
C |
x,y,z |
1_555 |
15 |
5 |
13041 |
106.6 |
4.2 |
0.455 |
0 |
0 |
0 |
0.000 |
11 |
24 |
|
[SO4]C:238 |
5 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
13 |
5 |
13041 |
92.0 |
-12.9 |
0.825 |
4 |
0 |
0 |
0.552 |
12 |
25 |
|
[NAG]G:238 |
10 |
1 |
358 |
cf |
G |
x,y,z |
1_555 |
10 |
4 |
12983 |
89.4 |
2.4 |
0.360 |
0 |
0 |
0 |
0.000 |
13 |
26 |
|
D |
13 |
4 |
13366 |
◊ |
F |
x,y,z |
1_555 |
6 |
3 |
8222 |
86.0 |
-0.0 |
0.655 |
0 |
0 |
0 |
0.000 |
27 |
|
B |
3 |
1 |
8242 |
◊ |
H |
x-1,y,z |
1_455 |
10 |
3 |
13265 |
50.2 |
0.4 |
0.731 |
0 |
0 |
0 |
0.000 |
Average: |
68.1 |
0.2 |
0.693 |
0 |
0 |
0 |
0.000 |
14 |
28 |
|
[NAG]C:239 |
8 |
1 |
365 |
◊ |
H |
x-1,y,z |
1_455 |
7 |
3 |
13265 |
68.5 |
0.5 |
0.183 |
0 |
0 |
0 |
0.000 |
15 |
29 |
|
C |
7 |
3 |
13041 |
◊ |
F |
x-1,y,z |
1_455 |
12 |
6 |
8222 |
65.3 |
-0.1 |
0.521 |
0 |
0 |
0 |
0.000 |
30 |
|
G |
8 |
3 |
12983 |
◊ |
B |
x,y,z |
1_555 |
9 |
5 |
8242 |
62.5 |
0.1 |
0.619 |
0 |
0 |
0 |
0.000 |
Average: |
63.9 |
0.0 |
0.570 |
0 |
0 |
0 |
0.000 |
16 |
31 |
|
[NAG]G:238 |
9 |
1 |
358 |
◊ |
D |
x,y,z |
1_555 |
5 |
2 |
13366 |
63.9 |
0.6 |
0.177 |
0 |
0 |
0 |
0.000 |
17 |
32 |
|
[EDO]C:240 |
4 |
1 |
183 |
◊ |
C |
x,y,z |
1_555 |
5 |
3 |
13041 |
63.4 |
2.5 |
0.964 |
3 |
0 |
0 |
0.000 |
18 |
33 |
|
[EDO]G:239 |
4 |
1 |
182 |
◊ |
G |
x,y,z |
1_555 |
5 |
3 |
12983 |
61.7 |
2.3 |
0.964 |
2 |
0 |
0 |
0.000 |
19 |
34 |
|
[EDO]A:117 |
4 |
1 |
183 |
◊ |
D |
x,y,z |
1_555 |
6 |
4 |
13366 |
61.0 |
2.7 |
0.339 |
0 |
0 |
0 |
0.000 |
20 |
35 |
|
[EDO]C:240 |
3 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
6 |
3 |
8242 |
50.5 |
1.1 |
0.903 |
3 |
0 |
0 |
0.100 |
21 |
36 |
|
[EDO]A:117 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
6 |
3 |
7924 |
49.9 |
1.1 |
0.899 |
3 |
0 |
0 |
0.100 |
22 |
37 |
|
[EDO]G:239 |
4 |
1 |
182 |
f |
F |
x,y,z |
1_555 |
6 |
3 |
8222 |
48.1 |
1.0 |
0.905 |
3 |
0 |
0 |
0.100 |
23 |
38 |
|
[EDO]A:117 |
4 |
1 |
183 |
◊ |
C |
x,y,z |
1_555 |
5 |
2 |
13041 |
30.8 |
0.6 |
0.882 |
1 |
0 |
0 |
0.000 |
24 |
39 |
|
[EDO]C:240 |
4 |
1 |
183 |
◊ |
D |
x,y,z |
1_555 |
3 |
2 |
13366 |
30.4 |
1.3 |
0.963 |
0 |
0 |
0 |
0.000 |
25 |
40 |
|
[EDO]G:239 |
4 |
1 |
182 |
◊ |
H |
x,y,z |
1_555 |
4 |
2 |
13265 |
30.3 |
1.0 |
0.906 |
0 |
0 |
0 |
0.000 |
26 |
41 |
|
C |
3 |
2 |
13041 |
◊ |
H |
x-1,y,z-1 |
1_454 |
2 |
1 |
13265 |
13.8 |
0.5 |
0.737 |
0 |
0 |
0 |
0.000 |
42 |
|
D |
1 |
1 |
13366 |
◊ |
G |
x,y,z-1 |
1_554 |
2 |
1 |
12983 |
5.8 |
0.2 |
0.757 |
0 |
0 |
0 |
0.000 |
Average: |
9.8 |
0.3 |
0.747 |
0 |
0 |
0 |
0.000 |
27 |
43 |
|
A |
3 |
1 |
7924 |
◊ |
G |
x-1,y,z |
1_455 |
3 |
2 |
12983 |
13.4 |
-0.4 |
0.468 |
0 |
0 |
0 |
0.009 |
44 |
|
C |
2 |
2 |
13041 |
◊ |
E |
x,y,z |
1_555 |
4 |
1 |
7875 |
12.7 |
-0.3 |
0.486 |
0 |
0 |
0 |
0.009 |
Average: |
13.1 |
-0.3 |
0.477 |
0 |
0 |
0 |
0.009 |
28 |
45 |
|
A |
2 |
1 |
7924 |
◊ |
H |
x-1,y,z-1 |
1_454 |
1 |
1 |
13265 |
8.3 |
0.2 |
0.712 |
0 |
0 |
0 |
0.000 |
29 |
46 |
|
[SO4]C:238 |
1 |
1 |
186 |
◊ |
H |
x,y,z |
1_555 |
3 |
1 |
13265 |
8.0 |
-0.8 |
0.764 |
0 |
0 |
0 |
0.016 |
|