| ## |
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 |
159 |
38 |
9947 |
◊ |
C |
x,y,z |
1_555 |
148 |
39 |
9256 |
1513.7 |
-27.6 |
0.036 |
17 |
6 |
0 |
0.351 |
2 |
|
B |
153 |
38 |
10014 |
◊ |
A |
x,y,z |
1_555 |
151 |
39 |
9133 |
1506.1 |
-26.1 |
0.056 |
16 |
6 |
0 |
0.351 |
| Average: |
1509.9 |
-26.9 |
0.046 |
17 |
6 |
0 |
0.351 |
| 2 |
3 |
|
C |
95 |
28 |
9256 |
◊ |
A |
x,y,z |
1_555 |
96 |
28 |
9133 |
873.3 |
-6.9 |
0.559 |
10 |
12 |
0 |
0.228 |
| 3 |
4 |
|
[PEB]B:1082 |
41 |
1 |
921 |
cf |
B |
x,y,z |
1_555 |
67 |
27 |
10014 |
576.2 |
-12.6 |
0.628 |
8 |
0 |
0 |
0.167 |
5 |
|
[PEB]D:1082 |
42 |
1 |
911 |
cf |
D |
x,y,z |
1_555 |
69 |
26 |
9947 |
568.7 |
-13.6 |
0.556 |
8 |
0 |
0 |
0.167 |
| Average: |
572.5 |
-13.1 |
0.592 |
8 |
0 |
0 |
0.167 |
| 4 |
6 |
|
[PEB]C:1082 |
42 |
1 |
911 |
cf |
C |
x,y,z |
1_555 |
78 |
23 |
9256 |
538.2 |
-10.6 |
0.688 |
6 |
0 |
0 |
0.467 |
7 |
|
[PEB]A:1082 |
42 |
1 |
907 |
cf |
A |
x,y,z |
1_555 |
82 |
24 |
9133 |
536.6 |
-10.7 |
0.711 |
7 |
0 |
0 |
0.467 |
| Average: |
537.4 |
-10.6 |
0.699 |
7 |
0 |
0 |
0.467 |
| 5 |
8 |
|
[PUB]D:1050 |
42 |
1 |
911 |
cf |
D |
x,y,z |
1_555 |
56 |
20 |
9947 |
497.6 |
-10.5 |
0.589 |
8 |
0 |
0 |
0.144 |
9 |
|
[PUB]B:1050 |
41 |
1 |
909 |
cf |
B |
x,y,z |
1_555 |
55 |
20 |
10014 |
490.1 |
-11.0 |
0.511 |
8 |
0 |
0 |
0.144 |
| Average: |
493.9 |
-10.7 |
0.550 |
8 |
0 |
0 |
0.144 |
| 6 |
10 |
|
[PEB]D:1158 |
42 |
1 |
889 |
cf |
D |
x,y,z |
1_555 |
63 |
18 |
9947 |
462.4 |
-9.0 |
0.738 |
6 |
0 |
0 |
0.113 |
11 |
|
[PEB]B:1158 |
42 |
1 |
892 |
cf |
B |
x,y,z |
1_555 |
59 |
19 |
10014 |
459.5 |
-9.2 |
0.697 |
5 |
0 |
0 |
0.113 |
| Average: |
461.0 |
-9.1 |
0.717 |
6 |
0 |
0 |
0.113 |
| 7 |
12 |
|
C |
52 |
15 |
9256 |
◊ |
A |
-z,x+1/2,-y+1/2 |
8_555 |
55 |
17 |
9133 |
455.1 |
-1.1 |
0.765 |
5 |
0 |
0 |
0.013 |
| 8 |
13 |
|
C |
57 |
18 |
9256 |
◊ |
D |
-z,x+1/2,-y+1/2 |
8_555 |
45 |
14 |
9947 |
445.3 |
-4.1 |
0.441 |
6 |
0 |
0 |
0.066 |
14 |
|
B |
45 |
13 |
10014 |
◊ |
A |
-z,x+1/2,-y+1/2 |
8_555 |
55 |
18 |
9133 |
438.2 |
-4.8 |
0.418 |
6 |
0 |
0 |
0.066 |
| Average: |
441.8 |
-4.4 |
0.430 |
6 |
0 |
0 |
0.066 |
| 9 |
15 |
|
[PEB]A:1139 |
39 |
1 |
876 |
cf |
A |
x,y,z |
1_555 |
49 |
16 |
9133 |
442.6 |
-7.4 |
0.813 |
4 |
0 |
0 |
0.306 |
16 |
|
[PEB]C:1139 |
39 |
1 |
887 |
cf |
C |
x,y,z |
1_555 |
50 |
16 |
9256 |
442.4 |
-7.2 |
0.822 |
3 |
0 |
0 |
0.306 |
| Average: |
442.5 |
-7.3 |
0.818 |
4 |
0 |
0 |
0.306 |
| 10 |
17 |
|
D |
37 |
14 |
9947 |
◊ |
A |
x,y,z |
1_555 |
40 |
13 |
9133 |
348.3 |
3.8 |
0.958 |
10 |
7 |
0 |
0.012 |
18 |
|
B |
35 |
13 |
10014 |
◊ |
C |
x,y,z |
1_555 |
37 |
13 |
9256 |
339.5 |
3.6 |
0.947 |
8 |
7 |
0 |
0.012 |
| Average: |
343.9 |
3.7 |
0.953 |
9 |
7 |
0 |
0.012 |
| 11 |
19 |
|
[PEB]C:1082 |
18 |
1 |
911 |
◊ |
D |
-z,x+1/2,-y+1/2 |
8_555 |
30 |
8 |
9947 |
210.3 |
-4.0 |
0.688 |
1 |
0 |
0 |
0.039 |
20 |
|
B |
29 |
8 |
10014 |
◊ |
[PEB]A:1082 |
-z,x+1/2,-y+1/2 |
8_555 |
18 |
1 |
907 |
210.1 |
-4.0 |
0.683 |
1 |
0 |
0 |
0.039 |
| Average: |
210.2 |
-4.0 |
0.685 |
1 |
0 |
0 |
0.039 |
| 12 |
21 |
|
[PEB]A:1139 |
16 |
1 |
876 |
◊ |
A |
z,x,y |
5_555 |
28 |
9 |
9133 |
196.2 |
-4.7 |
0.535 |
0 |
0 |
0 |
0.020 |
| 13 |
22 |
|
[PEB]B:1158 |
18 |
1 |
892 |
◊ |
C |
x,y,z |
1_555 |
14 |
5 |
9256 |
132.8 |
-1.3 |
0.846 |
1 |
0 |
0 |
0.016 |
23 |
|
[PEB]D:1158 |
17 |
1 |
889 |
◊ |
A |
x,y,z |
1_555 |
13 |
4 |
9133 |
130.9 |
-1.2 |
0.861 |
1 |
0 |
0 |
0.016 |
| Average: |
131.8 |
-1.3 |
0.854 |
1 |
0 |
0 |
0.016 |
| 14 |
24 |
|
A |
12 |
2 |
9133 |
◊ |
B |
z,x,y |
5_555 |
13 |
5 |
10014 |
114.8 |
-1.3 |
0.470 |
0 |
0 |
0 |
0.006 |
| 15 |
25 |
|
[PEB]D:1158 |
9 |
1 |
889 |
◊ |
C |
x,y,z |
1_555 |
12 |
4 |
9256 |
99.9 |
-1.6 |
0.637 |
1 |
0 |
0 |
0.020 |
26 |
|
[PEB]B:1158 |
9 |
1 |
892 |
◊ |
A |
x,y,z |
1_555 |
16 |
4 |
9133 |
99.3 |
-1.6 |
0.688 |
1 |
0 |
0 |
0.020 |
| Average: |
99.6 |
-1.6 |
0.662 |
1 |
0 |
0 |
0.020 |
| 16 |
27 |
|
B |
9 |
3 |
10014 |
x |
B |
-z,x+1/2,-y+1/2 |
8_555 |
10 |
3 |
10014 |
87.7 |
-0.1 |
0.562 |
1 |
0 |
0 |
0.006 |
28 |
|
D |
9 |
3 |
9947 |
x |
D |
-z,x+1/2,-y+1/2 |
8_555 |
8 |
3 |
9947 |
84.0 |
-0.2 |
0.538 |
1 |
0 |
0 |
0.006 |
| Average: |
85.9 |
-0.1 |
0.550 |
1 |
0 |
0 |
0.006 |
| 17 |
29 |
|
A |
9 |
4 |
9133 |
x |
A |
z,x,y |
5_555 |
10 |
6 |
9133 |
83.3 |
0.5 |
0.678 |
2 |
3 |
0 |
0.004 |
| 18 |
30 |
|
A |
3 |
2 |
9133 |
◊ |
B |
-x,y-1/2,-z+1/2 |
3_545 |
3 |
2 |
10014 |
38.6 |
-0.7 |
0.324 |
0 |
0 |
0 |
0.000 |
| 19 |
31 |
|
[PEB]A:1139 |
2 |
1 |
876 |
◊ |
B |
z,x,y |
5_555 |
3 |
1 |
10014 |
20.8 |
-0.6 |
0.445 |
0 |
0 |
0 |
0.003 |
| 20 |
32 |
|
[PEB]A:1139 |
2 |
1 |
876 |
◊ |
B |
-x,y-1/2,-z+1/2 |
3_545 |
4 |
3 |
10014 |
8.8 |
-0.3 |
0.644 |
0 |
0 |
0 |
0.000 |
| 21 |
33 |
|
C |
1 |
1 |
9256 |
◊ |
[PUB]D:1050 |
-z,x+1/2,-y+1/2 |
8_555 |
1 |
1 |
911 |
3.3 |
-0.0 |
0.757 |
0 |
0 |
0 |
0.000 |
| 22 |
34 |
|
[PEB]A:1082 |
1 |
1 |
907 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
10014 |
2.6 |
0.0 |
0.772 |
0 |
0 |
0 |
0.000 |
35 |
|
[PEB]C:1082 |
1 |
1 |
911 |
◊ |
D |
x,y,z |
1_555 |
1 |
1 |
9947 |
1.6 |
-0.0 |
0.736 |
0 |
0 |
0 |
0.000 |
| Average: |
2.1 |
0.0 |
0.754 |
0 |
0 |
0 |
0.000 |
|