## |
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 |
74 |
11 |
3006 |
◊ |
A |
x,y,z |
1_555 |
72 |
11 |
2973 |
588.7 |
-0.2 |
0.679 |
11 |
0 |
0 |
0.014 |
2 |
2 |
|
A |
37 |
5 |
2973 |
◊ |
A |
-x,y,-z-1 |
2_554 |
37 |
5 |
2973 |
233.4 |
2.9 |
0.792 |
0 |
0 |
0 |
0.000 |
3 |
|
B |
30 |
3 |
3006 |
◊ |
B |
-x,y,-z-1 |
2_554 |
29 |
3 |
3006 |
231.5 |
0.4 |
0.663 |
0 |
0 |
0 |
0.000 |
Average: |
232.4 |
1.6 |
0.728 |
0 |
0 |
0 |
0.000 |
3 |
4 |
|
[BRU]A:4 |
18 |
1 |
471 |
cf |
A |
x,y,z |
1_555 |
25 |
3 |
2973 |
216.5 |
0.5 |
0.552 |
1 |
0 |
0 |
0.000 |
4 |
5 |
|
[BRU]B:4 |
20 |
1 |
451 |
cf |
B |
x,y,z |
1_555 |
24 |
4 |
3006 |
215.5 |
4.2 |
0.728 |
1 |
0 |
0 |
0.000 |
5 |
6 |
|
A |
31 |
7 |
2973 |
◊ |
A |
-x,y,-z |
2_555 |
31 |
7 |
2973 |
211.7 |
4.1 |
0.795 |
2 |
0 |
0 |
0.000 |
6 |
7 |
|
B |
16 |
2 |
3006 |
◊ |
A |
-x,y,-z-1 |
2_554 |
15 |
2 |
2973 |
109.0 |
2.9 |
0.789 |
1 |
0 |
0 |
0.000 |
7 |
8 |
|
A |
13 |
1 |
2973 |
◊ |
B |
x-1/2,y+1/2,z |
3_455 |
15 |
1 |
3006 |
101.9 |
1.6 |
0.683 |
2 |
0 |
0 |
0.000 |
8 |
9 |
|
[BRU]A:4 |
11 |
1 |
471 |
◊ |
A |
-x,y,-z |
2_555 |
14 |
2 |
2973 |
89.4 |
-0.5 |
0.463 |
2 |
0 |
0 |
0.000 |
9 |
10 |
|
B |
10 |
1 |
3006 |
x |
B |
-x+1/2,y-1/2,-z-1 |
4_544 |
12 |
1 |
3006 |
87.8 |
2.1 |
0.707 |
2 |
0 |
0 |
0.000 |
10 |
11 |
|
[K]A:101 |
1 |
1 |
216 |
◊ |
B |
x,y,z |
1_555 |
18 |
7 |
3006 |
73.5 |
-46.1 |
0.000 |
0 |
0 |
0 |
0.241 |
12 |
|
[K]A:101 |
1 |
1 |
216 |
◊ |
A |
x,y,z |
1_555 |
16 |
7 |
2973 |
69.5 |
-40.7 |
0.000 |
0 |
0 |
0 |
0.241 |
Average: |
71.5 |
-43.4 |
0.000 |
0 |
0 |
0 |
0.241 |
11 |
13 |
|
[NCO]B:102 |
5 |
1 |
270 |
f |
B |
x,y,z |
1_555 |
11 |
3 |
3006 |
71.9 |
-2.0 |
0.078 |
2 |
0 |
0 |
0.129 |
12 |
14 |
|
[K]A:102 |
1 |
1 |
216 |
◊ |
B |
x,y,z |
1_555 |
19 |
8 |
3006 |
70.6 |
-40.0 |
0.000 |
0 |
0 |
0 |
0.222 |
15 |
|
[K]A:102 |
1 |
1 |
216 |
◊ |
A |
x,y,z |
1_555 |
18 |
8 |
2973 |
68.8 |
-39.6 |
0.000 |
0 |
0 |
0 |
0.222 |
Average: |
69.7 |
-39.8 |
0.000 |
0 |
0 |
0 |
0.222 |
13 |
16 |
|
[K]A:103 |
1 |
1 |
216 |
◊ |
B |
x,y,z |
1_555 |
18 |
7 |
3006 |
65.5 |
-36.7 |
0.000 |
0 |
0 |
0 |
0.201 |
17 |
|
[K]A:103 |
1 |
1 |
216 |
◊ |
A |
x,y,z |
1_555 |
18 |
7 |
2973 |
63.7 |
-35.7 |
0.000 |
0 |
0 |
0 |
0.201 |
Average: |
64.6 |
-36.2 |
0.000 |
0 |
0 |
0 |
0.201 |
14 |
18 |
|
[NCO]B:101 |
5 |
1 |
266 |
◊ |
B |
-x,y,-z-1 |
2_554 |
7 |
2 |
3006 |
59.3 |
-1.5 |
0.142 |
3 |
0 |
0 |
0.000 |
15 |
19 |
|
[NCO]B:102 |
5 |
1 |
270 |
◊ |
A |
-x+1/2,y-1/2,-z-1 |
4_544 |
8 |
2 |
2973 |
57.8 |
-0.8 |
0.173 |
2 |
0 |
0 |
0.000 |
16 |
20 |
|
[NCO]A:104 |
3 |
1 |
269 |
◊ |
B |
x,y,z |
1_555 |
12 |
2 |
3006 |
55.3 |
-0.1 |
0.413 |
4 |
0 |
0 |
0.000 |
17 |
21 |
|
A |
7 |
2 |
2973 |
◊ |
[NCO]B:102 |
x-1/2,y+1/2,z |
3_455 |
4 |
1 |
270 |
49.4 |
-1.0 |
0.138 |
1 |
0 |
0 |
0.000 |
18 |
22 |
|
[NCO]A:104 |
4 |
1 |
269 |
f |
A |
x,y,z-1 |
1_554 |
5 |
1 |
2973 |
49.1 |
-0.7 |
0.138 |
4 |
0 |
0 |
0.117 |
19 |
23 |
|
[NCO]B:101 |
4 |
1 |
266 |
f |
B |
-x+1/2,y-1/2,-z-1 |
4_544 |
5 |
1 |
3006 |
45.8 |
-1.8 |
0.098 |
3 |
0 |
0 |
0.138 |
20 |
24 |
|
[NCO]B:101 |
3 |
1 |
266 |
◊ |
B |
x,y,z |
1_555 |
7 |
2 |
3006 |
43.7 |
-0.6 |
0.314 |
1 |
0 |
0 |
0.000 |
21 |
25 |
|
[NCO]A:104 |
4 |
1 |
269 |
◊ |
A |
x,y,z |
1_555 |
6 |
1 |
2973 |
42.6 |
-0.6 |
0.127 |
2 |
0 |
0 |
0.000 |
22 |
26 |
|
B |
5 |
1 |
3006 |
◊ |
[NCO]A:104 |
-x+1/2,y-1/2,-z-1 |
4_544 |
4 |
1 |
269 |
39.5 |
-0.3 |
0.667 |
1 |
0 |
0 |
0.000 |
23 |
27 |
|
[NCO]A:104 |
3 |
1 |
269 |
f |
[BRU]A:4 |
x,y,z-1 |
1_554 |
5 |
1 |
471 |
34.2 |
0.8 |
0.263 |
1 |
0 |
0 |
0.000 |
24 |
28 |
|
[K]A:102 |
1 |
1 |
216 |
f |
[K]A:101 |
x,y,z |
1_555 |
1 |
1 |
216 |
33.6 |
-33.6 |
0.000 |
0 |
0 |
0 |
0.093 |
25 |
29 |
|
[NA]A:105 |
1 |
1 |
125 |
x |
B |
x,y,z |
1_555 |
7 |
3 |
3006 |
33.2 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.030 |
30 |
|
[NA]A:105 |
1 |
1 |
125 |
x |
A |
x,y,z |
1_555 |
7 |
3 |
2973 |
30.3 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.030 |
Average: |
31.8 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.030 |
26 |
31 |
|
B |
2 |
1 |
3006 |
◊ |
A |
-x+1/2,y-1/2,-z-1 |
4_544 |
7 |
2 |
2973 |
32.2 |
0.1 |
0.553 |
2 |
0 |
0 |
0.000 |
27 |
32 |
|
[K]A:103 |
1 |
1 |
216 |
f |
[K]A:102 |
x,y,z |
1_555 |
1 |
1 |
216 |
31.2 |
-31.2 |
0.000 |
0 |
0 |
0 |
0.087 |
28 |
33 |
|
[NA]A:105 |
1 |
1 |
125 |
◊ |
B |
-x,y,-z-1 |
2_554 |
6 |
2 |
3006 |
23.9 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.005 |
29 |
34 |
|
[BRU]B:4 |
3 |
1 |
451 |
◊ |
A |
x,y,z |
1_555 |
4 |
2 |
2973 |
23.7 |
0.5 |
0.507 |
0 |
0 |
0 |
0.000 |
30 |
35 |
|
[NCO]A:104 |
3 |
1 |
269 |
◊ |
A |
-x,y,-z-1 |
2_554 |
5 |
3 |
2973 |
23.0 |
-0.8 |
0.182 |
1 |
0 |
0 |
0.000 |
31 |
36 |
|
[NA]A:105 |
1 |
1 |
125 |
f |
[K]A:103 |
x,y,z |
1_555 |
1 |
1 |
216 |
19.0 |
-10.5 |
0.000 |
0 |
0 |
0 |
0.029 |
32 |
37 |
|
[NA]A:105 |
1 |
1 |
125 |
f |
[NA]A:105 |
-x,y,-z-1 |
2_554 |
1 |
1 |
125 |
16.0 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.004 |
33 |
38 |
|
[K]A:103 |
1 |
1 |
216 |
◊ |
B |
-x,y,-z-1 |
2_554 |
4 |
1 |
3006 |
14.2 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.024 |
39 |
|
[K]A:103 |
1 |
1 |
216 |
◊ |
A |
-x,y,-z-1 |
2_554 |
2 |
1 |
2973 |
11.0 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.024 |
Average: |
12.6 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.024 |
34 |
40 |
|
[NCO]B:102 |
1 |
1 |
270 |
◊ |
[NCO]A:104 |
-x+1/2,y-1/2,-z-1 |
4_544 |
1 |
1 |
269 |
11.1 |
0.2 |
0.707 |
0 |
0 |
0 |
0.000 |
35 |
41 |
|
[NCO]A:104 |
1 |
1 |
269 |
◊ |
B |
-x,y,-z-1 |
2_554 |
1 |
1 |
3006 |
10.6 |
-0.0 |
0.285 |
0 |
0 |
0 |
0.000 |
36 |
42 |
|
[BRU]A:4 |
3 |
1 |
471 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
3006 |
9.9 |
-1.0 |
0.223 |
0 |
0 |
0 |
0.003 |
37 |
43 |
|
[K]A:103 |
1 |
1 |
216 |
f |
[K]A:101 |
x,y,z |
1_555 |
1 |
1 |
216 |
9.1 |
-9.1 |
0.000 |
0 |
0 |
0 |
0.025 |
38 |
44 |
|
[K]A:101 |
1 |
1 |
216 |
◊ |
[BRU]B:4 |
x,y,z |
1_555 |
1 |
1 |
451 |
6.8 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.006 |
39 |
45 |
|
[NA]A:105 |
1 |
1 |
125 |
f |
[K]A:103 |
-x,y,-z-1 |
2_554 |
1 |
1 |
216 |
6.2 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.011 |
40 |
46 |
|
[NCO]B:102 |
1 |
1 |
270 |
◊ |
A |
-x+1/2,y-1/2,-z |
4_545 |
1 |
1 |
2973 |
4.2 |
0.2 |
0.519 |
0 |
0 |
0 |
0.000 |
41 |
47 |
|
[NCO]B:101 |
1 |
1 |
266 |
◊ |
A |
-x+1/2,y-1/2,-z-1 |
4_544 |
1 |
1 |
2973 |
3.1 |
-0.2 |
0.427 |
0 |
0 |
0 |
0.000 |
42 |
48 |
|
[NA]A:105 |
1 |
1 |
125 |
f |
[K]A:102 |
x,y,z |
1_555 |
1 |
1 |
216 |
1.9 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.003 |
|