| ## |
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 |
100 |
11 |
2737 |
◊ |
A |
x,y,z |
1_555 |
97 |
10 |
2750 |
818.5 |
6.4 |
0.969 |
33 |
0 |
0 |
0.020 |
2 |
|
D |
93 |
10 |
2744 |
◊ |
C |
x,y,z |
1_555 |
99 |
10 |
2747 |
809.6 |
6.4 |
0.970 |
32 |
0 |
0 |
0.020 |
| Average: |
814.0 |
6.4 |
0.970 |
33 |
0 |
0 |
0.020 |
| 2 |
3 |
|
C |
16 |
3 |
2747 |
◊ |
A |
x,y,z |
1_555 |
16 |
3 |
2750 |
142.4 |
-4.3 |
0.391 |
5 |
0 |
0 |
0.000 |
4 |
|
B |
15 |
3 |
2737 |
◊ |
D |
-x+1/2,-y+1,z-1/2 |
2_564 |
16 |
3 |
2744 |
141.5 |
-3.9 |
0.422 |
2 |
0 |
0 |
0.000 |
| Average: |
142.0 |
-4.1 |
0.407 |
4 |
0 |
0 |
0.000 |
| 3 |
5 |
|
[K]D:5021 |
1 |
1 |
216 |
f |
D |
x,y,z |
1_555 |
24 |
8 |
2744 |
86.3 |
-56.1 |
0.000 |
0 |
0 |
0 |
0.269 |
6 |
|
[K]B:5013 |
1 |
1 |
216 |
f |
B |
x,y,z |
1_555 |
23 |
8 |
2737 |
84.1 |
-55.9 |
0.000 |
0 |
0 |
0 |
0.269 |
7 |
|
[K]A:5017 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
24 |
8 |
2750 |
83.9 |
-55.7 |
0.000 |
0 |
0 |
0 |
0.269 |
8 |
|
[K]C:5022 |
1 |
1 |
216 |
f |
C |
x,y,z |
1_555 |
23 |
8 |
2747 |
82.5 |
-55.2 |
0.000 |
0 |
0 |
0 |
0.269 |
| Average: |
84.2 |
-55.7 |
0.000 |
0 |
0 |
0 |
0.269 |
| 4 |
9 |
|
[K]A:5016 |
1 |
1 |
216 |
◊ |
A |
x,y,z |
1_555 |
19 |
6 |
2750 |
78.1 |
-39.0 |
0.000 |
0 |
0 |
0 |
0.187 |
10 |
|
[K]C:5019 |
1 |
1 |
216 |
◊ |
C |
x,y,z |
1_555 |
16 |
6 |
2747 |
77.5 |
-38.5 |
0.000 |
0 |
0 |
0 |
0.187 |
11 |
|
[K]B:5015 |
1 |
1 |
216 |
◊ |
B |
x,y,z |
1_555 |
16 |
6 |
2737 |
76.6 |
-38.2 |
0.000 |
0 |
0 |
0 |
0.187 |
12 |
|
[K]C:5020 |
1 |
1 |
216 |
◊ |
D |
x,y,z |
1_555 |
17 |
6 |
2744 |
76.0 |
-38.7 |
0.000 |
0 |
0 |
0 |
0.187 |
| Average: |
77.0 |
-38.6 |
0.000 |
0 |
0 |
0 |
0.187 |
| 5 |
13 |
|
[K]C:5018 |
1 |
1 |
216 |
◊ |
D |
x,y,z |
1_555 |
23 |
8 |
2744 |
77.1 |
-38.7 |
0.000 |
0 |
0 |
0 |
0.136 |
14 |
|
[K]B:5014 |
1 |
1 |
216 |
◊ |
A |
x,y,z |
1_555 |
26 |
8 |
2750 |
74.9 |
-38.4 |
0.000 |
0 |
0 |
0 |
0.136 |
15 |
|
[K]C:5018 |
1 |
1 |
216 |
◊ |
C |
x,y,z |
1_555 |
24 |
8 |
2747 |
74.2 |
-38.6 |
0.000 |
0 |
0 |
0 |
0.136 |
16 |
|
[K]B:5014 |
1 |
1 |
216 |
◊ |
B |
x,y,z |
1_555 |
23 |
8 |
2737 |
73.7 |
-39.0 |
0.000 |
0 |
0 |
0 |
0.136 |
| Average: |
75.0 |
-38.7 |
0.000 |
0 |
0 |
0 |
0.136 |
| 6 |
17 |
|
[K]C:5019 |
1 |
1 |
216 |
f |
D |
x,y,z |
1_555 |
22 |
8 |
2744 |
76.4 |
-41.0 |
0.000 |
0 |
0 |
0 |
0.198 |
18 |
|
[K]B:5015 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
20 |
8 |
2750 |
74.0 |
-41.0 |
0.000 |
0 |
0 |
0 |
0.198 |
19 |
|
[K]A:5016 |
1 |
1 |
216 |
f |
B |
x,y,z |
1_555 |
23 |
8 |
2737 |
73.4 |
-41.1 |
0.000 |
0 |
0 |
0 |
0.198 |
20 |
|
[K]C:5020 |
1 |
1 |
216 |
f |
C |
x,y,z |
1_555 |
21 |
8 |
2747 |
71.4 |
-40.9 |
0.000 |
0 |
0 |
0 |
0.198 |
| Average: |
73.8 |
-41.0 |
0.000 |
0 |
0 |
0 |
0.198 |
| 7 |
21 |
|
[K]B:5013 |
1 |
1 |
216 |
◊ |
A |
x,y,z |
1_555 |
19 |
4 |
2750 |
74.6 |
-31.4 |
0.000 |
0 |
0 |
0 |
0.149 |
22 |
|
[K]D:5021 |
1 |
1 |
216 |
◊ |
C |
x,y,z |
1_555 |
19 |
4 |
2747 |
71.2 |
-30.3 |
0.000 |
0 |
0 |
0 |
0.149 |
23 |
|
[K]C:5022 |
1 |
1 |
216 |
◊ |
D |
x,y,z |
1_555 |
17 |
4 |
2744 |
70.8 |
-31.1 |
0.000 |
0 |
0 |
0 |
0.149 |
24 |
|
[K]A:5017 |
1 |
1 |
216 |
◊ |
B |
x,y,z |
1_555 |
18 |
4 |
2737 |
70.3 |
-30.2 |
0.000 |
0 |
0 |
0 |
0.149 |
| Average: |
71.7 |
-30.8 |
0.000 |
0 |
0 |
0 |
0.149 |
| 8 |
25 |
|
D |
5 |
2 |
2744 |
◊ |
B |
-x,y-1/2,-z+3/2 |
3_546 |
8 |
2 |
2737 |
41.1 |
-1.3 |
0.429 |
0 |
0 |
0 |
0.000 |
| 9 |
26 |
|
A |
3 |
1 |
2750 |
◊ |
D |
-x+1/2,-y+1,z-1/2 |
2_564 |
7 |
2 |
2744 |
40.7 |
-1.2 |
0.445 |
0 |
0 |
0 |
0.000 |
27 |
|
D |
3 |
1 |
2744 |
◊ |
A |
x,y,z |
1_555 |
5 |
2 |
2750 |
39.3 |
-1.2 |
0.385 |
0 |
0 |
0 |
0.000 |
28 |
|
C |
4 |
2 |
2747 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
2737 |
38.7 |
-1.6 |
0.298 |
0 |
0 |
0 |
0.000 |
29 |
|
B |
5 |
2 |
2737 |
◊ |
C |
-x+1/2,-y+1,z-1/2 |
2_564 |
3 |
1 |
2747 |
38.1 |
-1.5 |
0.342 |
0 |
0 |
0 |
0.000 |
| Average: |
39.2 |
-1.4 |
0.367 |
0 |
0 |
0 |
0.000 |
| 10 |
30 |
|
B |
6 |
2 |
2737 |
◊ |
D |
-x+1,y-1/2,-z+3/2 |
3_646 |
4 |
2 |
2744 |
36.1 |
-1.7 |
0.357 |
0 |
0 |
0 |
0.000 |
| 11 |
31 |
|
A |
6 |
2 |
2750 |
◊ |
C |
-x+1,y-1/2,-z+3/2 |
3_646 |
7 |
2 |
2747 |
33.3 |
-1.1 |
0.436 |
0 |
0 |
0 |
0.000 |
| 12 |
32 |
|
[K]B:5015 |
1 |
1 |
216 |
f |
[K]A:5017 |
x,y,z |
1_555 |
1 |
1 |
216 |
32.4 |
-32.4 |
0.000 |
0 |
0 |
0 |
0.078 |
| 13 |
33 |
|
[K]C:5022 |
1 |
1 |
216 |
f |
[K]C:5020 |
x,y,z |
1_555 |
1 |
1 |
216 |
32.4 |
-32.4 |
0.000 |
0 |
0 |
0 |
0.078 |
| 14 |
34 |
|
[K]D:5021 |
1 |
1 |
216 |
f |
[K]C:5019 |
x,y,z |
1_555 |
1 |
1 |
216 |
32.0 |
-32.0 |
0.000 |
0 |
0 |
0 |
0.077 |
| 15 |
35 |
|
[K]B:5013 |
1 |
1 |
216 |
f |
[K]A:5016 |
x,y,z |
1_555 |
1 |
1 |
216 |
31.1 |
-31.1 |
0.000 |
0 |
0 |
0 |
0.075 |
| 16 |
36 |
|
[K]C:5019 |
1 |
1 |
216 |
◊ |
[K]C:5018 |
x,y,z |
1_555 |
1 |
1 |
216 |
28.9 |
-28.9 |
0.000 |
0 |
0 |
0 |
0.051 |
| 17 |
37 |
|
[K]B:5014 |
1 |
1 |
216 |
◊ |
[K]A:5016 |
x,y,z |
1_555 |
1 |
1 |
216 |
27.9 |
-27.9 |
0.000 |
0 |
0 |
0 |
0.049 |
| 18 |
38 |
|
[K]B:5015 |
1 |
1 |
216 |
◊ |
[K]B:5014 |
x,y,z |
1_555 |
1 |
1 |
216 |
27.8 |
-27.8 |
0.000 |
0 |
0 |
0 |
0.049 |
| 19 |
39 |
|
[K]C:5020 |
1 |
1 |
216 |
◊ |
[K]C:5018 |
x,y,z |
1_555 |
1 |
1 |
216 |
27.4 |
-27.4 |
0.000 |
0 |
0 |
0 |
0.048 |
| 20 |
40 |
|
D |
4 |
2 |
2744 |
◊ |
B |
-x+1,y-1/2,-z+3/2 |
3_646 |
5 |
2 |
2737 |
19.2 |
-1.2 |
0.421 |
0 |
0 |
0 |
0.000 |
| 21 |
41 |
|
C |
2 |
1 |
2747 |
◊ |
D |
x-1,y,z |
1_455 |
1 |
1 |
2744 |
19.1 |
-2.0 |
0.170 |
0 |
0 |
0 |
0.000 |
42 |
|
B |
1 |
1 |
2737 |
◊ |
A |
x-1,y,z |
1_455 |
1 |
1 |
2750 |
19.0 |
-2.0 |
0.128 |
0 |
0 |
0 |
0.000 |
| Average: |
19.1 |
-2.0 |
0.149 |
0 |
0 |
0 |
0.000 |
| 22 |
43 |
|
[K]D:5021 |
1 |
1 |
216 |
◊ |
[K]C:5018 |
x,y,z |
1_555 |
1 |
1 |
216 |
11.0 |
-11.0 |
0.000 |
0 |
0 |
0 |
0.019 |
| 23 |
44 |
|
[K]B:5014 |
1 |
1 |
216 |
◊ |
[K]A:5017 |
x,y,z |
1_555 |
1 |
1 |
216 |
10.8 |
-10.8 |
0.000 |
0 |
0 |
0 |
0.019 |
| 24 |
45 |
|
[K]B:5014 |
1 |
1 |
216 |
◊ |
[K]B:5013 |
x,y,z |
1_555 |
1 |
1 |
216 |
10.5 |
-10.5 |
0.000 |
0 |
0 |
0 |
0.018 |
| 25 |
46 |
|
C |
3 |
1 |
2747 |
◊ |
D |
-x+1,y-1/2,-z+3/2 |
3_646 |
1 |
1 |
2744 |
10.4 |
-1.1 |
0.241 |
0 |
0 |
0 |
0.000 |
| 26 |
47 |
|
[K]C:5022 |
1 |
1 |
216 |
◊ |
[K]C:5018 |
x,y,z |
1_555 |
1 |
1 |
216 |
10.2 |
-10.2 |
0.000 |
0 |
0 |
0 |
0.018 |
| 27 |
48 |
|
[K]B:5015 |
1 |
1 |
216 |
◊ |
[K]A:5016 |
x,y,z |
1_555 |
1 |
1 |
216 |
9.8 |
-9.8 |
0.000 |
0 |
0 |
0 |
0.024 |
| 28 |
49 |
|
D |
2 |
1 |
2744 |
◊ |
A |
-x,y-1/2,-z+3/2 |
3_546 |
1 |
1 |
2750 |
9.4 |
0.5 |
0.677 |
0 |
0 |
0 |
0.000 |
| 29 |
50 |
|
[K]C:5020 |
1 |
1 |
216 |
◊ |
[K]C:5019 |
x,y,z |
1_555 |
1 |
1 |
216 |
9.4 |
-9.4 |
0.000 |
0 |
0 |
0 |
0.023 |
| 30 |
51 |
|
C |
1 |
1 |
2747 |
◊ |
A |
-x,y-1/2,-z+3/2 |
3_546 |
3 |
1 |
2750 |
6.9 |
-0.7 |
0.250 |
0 |
0 |
0 |
0.000 |
| 31 |
52 |
|
A |
1 |
1 |
2750 |
◊ |
C |
-x,y-1/2,-z+3/2 |
3_546 |
1 |
1 |
2747 |
6.6 |
-0.7 |
0.165 |
0 |
0 |
0 |
0.000 |
| 32 |
53 |
|
C |
3 |
1 |
2747 |
x |
C |
x-1,y,z |
1_455 |
1 |
1 |
2747 |
5.3 |
-0.5 |
0.258 |
0 |
0 |
0 |
0.000 |
| 33 |
54 |
|
B |
1 |
1 |
2737 |
◊ |
A |
x-1/2,-y+1/2,-z+1 |
4_456 |
1 |
1 |
2750 |
1.2 |
-0.1 |
0.297 |
0 |
0 |
0 |
0.000 |
|