## |
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 |
|
A |
31 |
9 |
1844 |
◊ |
B |
-x+2,y-1/2,-z |
2_745 |
27 |
7 |
1861 |
267.2 |
-6.4 |
0.406 |
0 |
0 |
0 |
0.009 |
2 |
2 |
|
B |
20 |
7 |
1861 |
◊ |
A |
x,y,z |
1_555 |
21 |
8 |
1844 |
222.2 |
-6.6 |
0.142 |
0 |
0 |
0 |
0.010 |
3 |
3 |
|
A |
30 |
9 |
1844 |
◊ |
B |
-x+1,y-1/2,-z |
2_645 |
32 |
9 |
1861 |
197.2 |
-1.1 |
0.840 |
6 |
2 |
0 |
0.038 |
4 |
4 |
|
B |
30 |
8 |
1861 |
◊ |
A |
x,y,z-1 |
1_554 |
31 |
8 |
1844 |
182.4 |
1.3 |
0.928 |
2 |
0 |
0 |
0.000 |
5 |
5 |
|
A |
10 |
6 |
1844 |
x |
A |
-x+1,y-1/2,-z |
2_645 |
12 |
5 |
1844 |
132.1 |
-4.1 |
0.130 |
0 |
0 |
0 |
0.000 |
6 |
6 |
|
B |
11 |
4 |
1861 |
x |
B |
-x+2,y-1/2,-z |
2_745 |
10 |
4 |
1861 |
127.1 |
-4.0 |
0.157 |
0 |
0 |
0 |
0.000 |
7 |
7 |
|
B |
13 |
4 |
1861 |
◊ |
A |
-x+1,y-1/2,-z |
2_645 |
15 |
4 |
1844 |
88.4 |
-1.1 |
0.650 |
0 |
0 |
0 |
0.000 |
8 |
8 |
|
B |
9 |
3 |
1861 |
x |
B |
x,y-1,z |
1_545 |
10 |
5 |
1861 |
70.0 |
-0.9 |
0.612 |
3 |
0 |
0 |
0.000 |
9 |
|
A |
6 |
4 |
1844 |
x |
A |
x,y-1,z |
1_545 |
9 |
3 |
1844 |
54.5 |
-0.8 |
0.553 |
2 |
0 |
0 |
0.000 |
Average: |
62.3 |
-0.8 |
0.583 |
3 |
0 |
0 |
0.000 |
9 |
10 |
|
[K]B:101 |
1 |
1 |
216 |
◊ |
B |
x,y,z |
1_555 |
15 |
4 |
1861 |
63.7 |
-39.3 |
0.000 |
0 |
0 |
0 |
0.516 |
11 |
|
[K]B:102 |
1 |
1 |
216 |
◊ |
A |
x,y,z-1 |
1_554 |
6 |
3 |
1844 |
50.2 |
-25.5 |
0.000 |
0 |
0 |
0 |
0.516 |
Average: |
57.0 |
-32.4 |
0.000 |
0 |
0 |
0 |
0.516 |
10 |
12 |
|
[K]B:102 |
1 |
1 |
216 |
f |
B |
x,y,z |
1_555 |
15 |
3 |
1861 |
61.7 |
-40.0 |
0.000 |
0 |
0 |
0 |
0.375 |
11 |
13 |
|
B |
6 |
2 |
1861 |
x |
B |
-x+1,y-1/2,-z-1 |
2_644 |
7 |
2 |
1861 |
57.3 |
1.8 |
0.932 |
2 |
2 |
0 |
0.000 |
14 |
|
A |
8 |
2 |
1844 |
x |
A |
-x+1,y-1/2,-z+1 |
2_646 |
7 |
2 |
1844 |
53.1 |
1.7 |
0.934 |
3 |
2 |
0 |
0.000 |
Average: |
55.2 |
1.8 |
0.933 |
3 |
2 |
0 |
0.000 |
12 |
15 |
|
A |
7 |
2 |
1844 |
◊ |
B |
x,y-1,z+1 |
1_546 |
8 |
3 |
1861 |
52.9 |
0.8 |
0.837 |
2 |
2 |
0 |
0.000 |
13 |
16 |
|
A |
6 |
2 |
1844 |
◊ |
B |
x,y-1,z |
1_545 |
7 |
3 |
1861 |
50.7 |
-1.6 |
0.381 |
0 |
0 |
0 |
0.000 |
14 |
17 |
|
B |
11 |
5 |
1861 |
f |
[SCN]A:101 |
x,y,z-1 |
1_554 |
3 |
1 |
183 |
49.8 |
-1.2 |
0.685 |
1 |
0 |
0 |
0.015 |
15 |
18 |
|
[SCN]A:101 |
3 |
1 |
183 |
◊ |
A |
x,y,z |
1_555 |
9 |
5 |
1844 |
44.0 |
-0.5 |
0.749 |
0 |
0 |
0 |
0.004 |
16 |
19 |
|
[K]B:101 |
1 |
1 |
216 |
◊ |
A |
-x+1,y-1/2,-z |
2_645 |
8 |
2 |
1844 |
38.0 |
-22.8 |
0.000 |
0 |
0 |
0 |
0.000 |
20 |
|
B |
5 |
1 |
1861 |
◊ |
[K]B:102 |
-x+1,y-1/2,-z-1 |
2_644 |
1 |
1 |
216 |
29.2 |
-15.9 |
0.000 |
0 |
0 |
0 |
0.000 |
Average: |
33.6 |
-19.3 |
0.000 |
0 |
0 |
0 |
0.000 |
17 |
21 |
|
[K]B:101 |
1 |
1 |
216 |
f |
A |
x,y,z-1 |
1_554 |
8 |
2 |
1844 |
36.2 |
-19.1 |
0.000 |
0 |
0 |
0 |
0.179 |
18 |
22 |
|
B |
5 |
2 |
1861 |
◊ |
A |
-x+2,y-1/2,-z |
2_745 |
4 |
2 |
1844 |
28.8 |
-0.7 |
0.565 |
0 |
0 |
0 |
0.000 |
19 |
23 |
|
A |
8 |
3 |
1844 |
◊ |
[SCN]A:101 |
-x+1,y-1/2,-z+1 |
2_646 |
2 |
1 |
183 |
26.0 |
-1.3 |
0.637 |
0 |
0 |
0 |
0.012 |
20 |
24 |
|
[SCN]A:101 |
3 |
1 |
183 |
◊ |
B |
-x+1,y-1/2,-z |
2_645 |
6 |
2 |
1861 |
26.0 |
0.3 |
0.755 |
0 |
0 |
0 |
0.000 |
21 |
25 |
|
A |
4 |
2 |
1844 |
x |
A |
-x+2,y-1/2,-z+1 |
2_746 |
3 |
2 |
1844 |
23.9 |
0.8 |
0.822 |
0 |
0 |
0 |
0.000 |
26 |
|
B |
1 |
1 |
1861 |
x |
B |
-x+2,y-1/2,-z-1 |
2_744 |
2 |
1 |
1861 |
18.3 |
0.9 |
0.880 |
0 |
0 |
0 |
0.000 |
Average: |
21.1 |
0.8 |
0.851 |
0 |
0 |
0 |
0.000 |
22 |
27 |
|
[K]B:101 |
1 |
1 |
216 |
◊ |
B |
-x+1,y-1/2,-z-1 |
2_644 |
3 |
1 |
1861 |
23.2 |
-10.9 |
0.000 |
0 |
0 |
0 |
0.210 |
28 |
|
A |
5 |
1 |
1844 |
◊ |
[K]B:102 |
-x+1,y-1/2,-z |
2_645 |
1 |
1 |
216 |
22.5 |
-11.5 |
0.000 |
0 |
0 |
0 |
0.210 |
Average: |
22.8 |
-11.2 |
0.000 |
0 |
0 |
0 |
0.210 |
23 |
29 |
|
[K]B:101 |
1 |
1 |
216 |
◊ |
[K]B:102 |
-x+1,y-1/2,-z-1 |
2_644 |
1 |
1 |
216 |
16.1 |
-16.1 |
0.000 |
0 |
0 |
0 |
0.151 |
24 |
30 |
|
[SCN]A:101 |
2 |
1 |
183 |
◊ |
[K]B:102 |
-x+1,y-1/2,-z |
2_645 |
1 |
1 |
216 |
12.7 |
-6.3 |
0.000 |
0 |
0 |
0 |
0.000 |
25 |
31 |
|
[K]B:101 |
1 |
1 |
216 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
1844 |
7.2 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.000 |
26 |
32 |
|
[K]B:101 |
1 |
1 |
216 |
◊ |
B |
x,y-1,z |
1_545 |
2 |
2 |
1861 |
5.2 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.000 |
33 |
|
A |
1 |
1 |
1844 |
◊ |
[K]B:102 |
x,y-1,z+1 |
1_546 |
1 |
1 |
216 |
0.3 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.000 |
Average: |
2.7 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.000 |
27 |
34 |
|
[K]B:101 |
1 |
1 |
216 |
◊ |
[SCN]A:101 |
-x+1,y-1/2,-z |
2_645 |
1 |
1 |
183 |
3.9 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.020 |
|