## |
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 |
100 |
24 |
10304 |
◊ |
A |
x,y,z |
1_555 |
102 |
27 |
10464 |
834.2 |
-6.4 |
0.413 |
9 |
4 |
0 |
0.480 |
2 |
|
H |
95 |
24 |
10216 |
◊ |
C |
-x,y-1/2,-z |
2_545 |
98 |
25 |
10166 |
816.7 |
-4.7 |
0.522 |
10 |
6 |
0 |
0.480 |
3 |
|
B |
99 |
24 |
10395 |
◊ |
D |
-x,y-1/2,-z+1 |
2_546 |
98 |
25 |
10204 |
809.9 |
-5.3 |
0.478 |
9 |
4 |
0 |
0.480 |
4 |
|
F |
96 |
24 |
10080 |
◊ |
E |
x,y,z |
1_555 |
98 |
26 |
10273 |
808.3 |
-4.6 |
0.536 |
10 |
5 |
0 |
0.480 |
Average: |
817.3 |
-5.2 |
0.487 |
10 |
5 |
0 |
0.480 |
2 |
5 |
|
H |
67 |
19 |
10216 |
◊ |
G |
x,y,z |
1_555 |
69 |
19 |
10304 |
644.0 |
-5.6 |
0.321 |
16 |
0 |
0 |
0.570 |
6 |
|
A |
67 |
20 |
10464 |
◊ |
C |
-x,y-1/2,-z |
2_545 |
68 |
19 |
10166 |
632.0 |
-5.5 |
0.337 |
15 |
1 |
0 |
0.570 |
7 |
|
E |
68 |
19 |
10273 |
◊ |
D |
-x+1,y-1/2,-z+1 |
2_646 |
69 |
18 |
10204 |
631.2 |
-5.7 |
0.324 |
15 |
0 |
0 |
0.570 |
8 |
|
B |
67 |
20 |
10395 |
◊ |
F |
x-1,y,z |
1_455 |
68 |
19 |
10080 |
623.8 |
-5.6 |
0.310 |
13 |
0 |
0 |
0.570 |
Average: |
632.8 |
-5.6 |
0.323 |
15 |
0 |
0 |
0.570 |
3 |
9 |
|
H |
65 |
18 |
10216 |
◊ |
A |
x-1,y,z |
1_455 |
66 |
16 |
10464 |
622.5 |
-2.7 |
0.475 |
9 |
0 |
0 |
0.000 |
10 |
|
E |
61 |
16 |
10273 |
◊ |
B |
x,y,z |
1_555 |
64 |
16 |
10395 |
606.1 |
-3.3 |
0.443 |
11 |
0 |
0 |
0.000 |
Average: |
614.3 |
-3.0 |
0.459 |
10 |
0 |
0 |
0.000 |
4 |
11 |
|
H |
30 |
8 |
10216 |
◊ |
F |
x-1,y,z |
1_455 |
33 |
10 |
10080 |
272.7 |
-4.1 |
0.199 |
0 |
0 |
0 |
0.000 |
5 |
12 |
|
G |
28 |
9 |
10304 |
◊ |
D |
x,y-1,z |
1_545 |
27 |
6 |
10204 |
258.9 |
-3.2 |
0.283 |
0 |
0 |
0 |
0.000 |
6 |
13 |
|
F |
30 |
12 |
10080 |
◊ |
A |
x,y,z |
1_555 |
27 |
9 |
10464 |
231.5 |
-1.5 |
0.462 |
2 |
0 |
0 |
0.000 |
7 |
14 |
|
F |
28 |
9 |
10080 |
◊ |
D |
x,y,z |
1_555 |
27 |
7 |
10204 |
211.9 |
1.8 |
0.846 |
2 |
3 |
0 |
0.000 |
15 |
|
G |
24 |
6 |
10304 |
◊ |
C |
x,y-1,z |
1_545 |
28 |
9 |
10166 |
202.5 |
2.2 |
0.885 |
2 |
3 |
0 |
0.000 |
Average: |
207.2 |
2.0 |
0.866 |
2 |
3 |
0 |
0.000 |
8 |
16 |
|
A |
19 |
6 |
10464 |
x |
A |
-x+1,y-1/2,-z |
2_645 |
24 |
10 |
10464 |
199.7 |
-0.8 |
0.533 |
3 |
0 |
0 |
0.000 |
17 |
|
B |
20 |
7 |
10395 |
x |
B |
-x,y-1/2,-z+1 |
2_546 |
23 |
10 |
10395 |
191.2 |
-0.5 |
0.519 |
3 |
0 |
0 |
0.000 |
Average: |
195.5 |
-0.7 |
0.526 |
3 |
0 |
0 |
0.000 |
9 |
18 |
|
E |
23 |
9 |
10273 |
◊ |
C |
-x,y-1/2,-z+1 |
2_546 |
22 |
10 |
10166 |
197.6 |
-1.9 |
0.254 |
1 |
0 |
0 |
0.000 |
10 |
19 |
|
E |
25 |
8 |
10273 |
◊ |
D |
x,y,z |
1_555 |
22 |
6 |
10204 |
190.3 |
-0.1 |
0.641 |
1 |
0 |
0 |
0.000 |
20 |
|
G |
21 |
5 |
10304 |
◊ |
H |
-x,y-1/2,-z |
2_545 |
28 |
10 |
10216 |
188.9 |
-0.3 |
0.610 |
1 |
0 |
0 |
0.000 |
Average: |
189.6 |
-0.2 |
0.626 |
1 |
0 |
0 |
0.000 |
11 |
21 |
|
D |
21 |
7 |
10204 |
◊ |
C |
x,y,z |
1_555 |
22 |
7 |
10166 |
173.4 |
-1.2 |
0.339 |
0 |
1 |
0 |
0.000 |
12 |
22 |
|
[PEG]H:302 |
7 |
1 |
256 |
f |
H |
x,y,z |
1_555 |
24 |
6 |
10216 |
122.3 |
2.6 |
0.354 |
1 |
0 |
0 |
0.000 |
13 |
23 |
|
G |
17 |
4 |
10304 |
◊ |
F |
x,y,z |
1_555 |
8 |
3 |
10080 |
115.6 |
-0.8 |
0.416 |
1 |
2 |
0 |
0.000 |
14 |
24 |
|
F |
13 |
5 |
10080 |
◊ |
E |
-x+1,y-1/2,-z+1 |
2_646 |
11 |
4 |
10273 |
115.1 |
0.1 |
0.544 |
3 |
0 |
0 |
0.000 |
25 |
|
H |
11 |
4 |
10216 |
◊ |
C |
x,y,z |
1_555 |
12 |
5 |
10166 |
109.7 |
0.1 |
0.563 |
3 |
0 |
0 |
0.000 |
Average: |
112.4 |
0.1 |
0.554 |
3 |
0 |
0 |
0.000 |
15 |
26 |
|
B |
9 |
3 |
10395 |
◊ |
C |
-x,y-1/2,-z+1 |
2_546 |
14 |
5 |
10166 |
96.4 |
0.3 |
0.584 |
1 |
0 |
0 |
0.000 |
16 |
27 |
|
H |
6 |
2 |
10216 |
x |
H |
-x,y-1/2,-z |
2_545 |
9 |
3 |
10216 |
67.7 |
1.1 |
0.853 |
2 |
0 |
0 |
0.000 |
28 |
|
E |
6 |
1 |
10273 |
x |
E |
-x+1,y-1/2,-z+1 |
2_646 |
7 |
1 |
10273 |
59.2 |
0.6 |
0.787 |
0 |
0 |
0 |
0.000 |
Average: |
63.4 |
0.9 |
0.820 |
1 |
0 |
0 |
0.000 |
17 |
29 |
|
E |
5 |
3 |
10273 |
◊ |
F |
-x+1,y-1/2,-z+1 |
2_646 |
7 |
4 |
10080 |
32.2 |
-0.4 |
0.482 |
0 |
0 |
0 |
0.000 |
30 |
|
H |
7 |
4 |
10216 |
◊ |
C |
x,y-1,z |
1_545 |
4 |
3 |
10166 |
23.4 |
-0.4 |
0.461 |
0 |
0 |
0 |
0.000 |
Average: |
27.8 |
-0.4 |
0.471 |
0 |
0 |
0 |
0.000 |
18 |
31 |
|
A |
8 |
4 |
10464 |
◊ |
D |
-x+1,y-1/2,-z |
2_645 |
5 |
2 |
10204 |
23.5 |
-0.0 |
0.609 |
0 |
0 |
0 |
0.000 |
19 |
32 |
|
B |
3 |
1 |
10395 |
◊ |
E |
-x,y-1/2,-z+1 |
2_546 |
1 |
1 |
10273 |
14.5 |
0.5 |
0.864 |
0 |
0 |
0 |
0.000 |
33 |
|
A |
2 |
1 |
10464 |
◊ |
H |
-x,y-1/2,-z |
2_545 |
1 |
1 |
10216 |
13.8 |
0.5 |
0.887 |
0 |
0 |
0 |
0.000 |
Average: |
14.2 |
0.5 |
0.876 |
0 |
0 |
0 |
0.000 |
20 |
34 |
|
G |
1 |
1 |
10304 |
◊ |
D |
x,y,z |
1_555 |
1 |
1 |
10204 |
1.0 |
-0.0 |
0.502 |
0 |
0 |
0 |
0.000 |
|