## |
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 |
74 |
24 |
20693 |
◊ |
A |
x,-y+1,-z |
4_565 |
74 |
24 |
20693 |
694.6 |
-2.8 |
0.416 |
8 |
8 |
0 |
0.015 |
2 |
2 |
|
A |
69 |
32 |
20693 |
x |
A |
-x+1/2,-y+1/2,z-1/2 |
6_554 |
61 |
22 |
20693 |
609.2 |
-0.5 |
0.524 |
8 |
11 |
0 |
0.000 |
3 |
3 |
|
A |
74 |
22 |
20693 |
◊ |
A |
-x+1,y,-z+1/2 |
3_655 |
74 |
22 |
20693 |
530.2 |
-4.2 |
0.300 |
4 |
0 |
0 |
0.011 |
4 |
4 |
|
A |
20 |
10 |
20693 |
x |
A |
x,y,z-1 |
1_554 |
16 |
5 |
20693 |
157.4 |
-0.3 |
0.506 |
3 |
0 |
0 |
0.000 |
5 |
5 |
|
[EDO]A:12 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
22 |
9 |
20693 |
116.3 |
3.8 |
0.602 |
2 |
0 |
0 |
0.000 |
6 |
6 |
|
[EDO]A:3 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
22 |
7 |
20693 |
113.7 |
2.9 |
0.368 |
1 |
0 |
0 |
0.000 |
7 |
7 |
|
[EDO]A:2 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
16 |
8 |
20693 |
111.5 |
3.8 |
0.577 |
3 |
0 |
0 |
0.000 |
8 |
8 |
|
[EDO]A:1 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
20 |
7 |
20693 |
108.8 |
3.6 |
0.493 |
7 |
0 |
0 |
0.000 |
9 |
9 |
|
[EDO]A:9 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
15 |
9 |
20693 |
108.7 |
4.1 |
0.545 |
2 |
0 |
0 |
0.000 |
10 |
10 |
|
[EDO]A:4 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
19 |
7 |
20693 |
107.2 |
3.5 |
0.419 |
2 |
0 |
0 |
0.000 |
11 |
11 |
|
[EDO]A:10 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
17 |
9 |
20693 |
105.1 |
2.8 |
0.412 |
3 |
0 |
0 |
0.000 |
12 |
12 |
|
[EDO]A:11 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
14 |
7 |
20693 |
97.8 |
2.4 |
0.280 |
1 |
0 |
0 |
0.000 |
13 |
13 |
|
[EDO]A:5 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
13 |
4 |
20693 |
87.4 |
2.5 |
0.277 |
3 |
0 |
0 |
0.000 |
14 |
14 |
|
A |
7 |
2 |
20693 |
◊ |
A |
x,-y+1,-z+1 |
4_566 |
7 |
2 |
20693 |
86.9 |
-1.1 |
0.266 |
0 |
0 |
0 |
0.000 |
15 |
15 |
|
[EDO]A:13 |
4 |
1 |
181 |
f |
A |
x,y,z |
1_555 |
17 |
7 |
20693 |
79.7 |
2.1 |
0.264 |
1 |
0 |
0 |
0.000 |
16 |
16 |
|
[EDO]A:8 |
4 |
1 |
183 |
◊ |
A |
-x+1,y,-z+1/2 |
3_655 |
19 |
7 |
20693 |
78.1 |
1.7 |
0.391 |
1 |
0 |
0 |
0.000 |
17 |
17 |
|
[EDO]A:14 |
4 |
1 |
184 |
◊ |
A |
-x+1,y,-z+1/2 |
3_655 |
13 |
5 |
20693 |
77.1 |
2.5 |
0.282 |
1 |
0 |
0 |
0.000 |
18 |
18 |
|
[EDO]A:7 |
4 |
1 |
184 |
◊ |
A |
x,-y+1,-z |
4_565 |
11 |
4 |
20693 |
73.4 |
1.5 |
0.197 |
2 |
0 |
0 |
0.000 |
19 |
19 |
|
[EDO]A:7 |
3 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
11 |
4 |
20693 |
72.2 |
2.3 |
0.515 |
1 |
0 |
0 |
0.000 |
20 |
20 |
|
[CL]A:20 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
11 |
5 |
20693 |
71.7 |
-9.8 |
0.000 |
0 |
0 |
0 |
0.038 |
21 |
21 |
|
[ACT]A:15 |
4 |
1 |
182 |
f |
A |
x,y,z |
1_555 |
7 |
3 |
20693 |
70.9 |
-0.8 |
0.412 |
1 |
0 |
0 |
0.005 |
22 |
22 |
|
[ACT]A:18 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
9 |
5 |
20693 |
70.4 |
0.9 |
0.816 |
1 |
0 |
0 |
0.000 |
23 |
23 |
|
[ACT]A:17 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
11 |
4 |
20693 |
68.0 |
0.4 |
0.788 |
1 |
0 |
0 |
0.000 |
24 |
24 |
|
[CL]A:21 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
8 |
7 |
20693 |
67.9 |
-11.0 |
0.000 |
0 |
0 |
0 |
0.043 |
25 |
25 |
|
[EDO]A:6 |
4 |
1 |
186 |
◊ |
A |
x,-y+1,-z |
4_565 |
9 |
4 |
20693 |
63.2 |
1.3 |
0.607 |
0 |
0 |
0 |
0.000 |
26 |
26 |
|
[ACT]A:16 |
4 |
1 |
183 |
◊ |
A |
-x+1,y,-z+1/2 |
3_655 |
12 |
3 |
20693 |
63.2 |
-0.8 |
0.486 |
0 |
0 |
0 |
0.003 |
27 |
27 |
|
[EDO]A:6 |
4 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
4 |
2 |
20693 |
55.8 |
1.1 |
0.850 |
2 |
0 |
0 |
0.000 |
28 |
28 |
|
[EDO]A:8 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
10 |
3 |
20693 |
53.6 |
1.7 |
0.875 |
4 |
0 |
0 |
0.000 |
29 |
29 |
|
[EDO]A:14 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
10 |
3 |
20693 |
49.9 |
1.2 |
0.768 |
1 |
0 |
0 |
0.000 |
30 |
30 |
|
[ZN]A:519 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
9 |
6 |
20693 |
47.7 |
-27.3 |
0.000 |
0 |
0 |
0 |
0.107 |
31 |
31 |
|
[ACT]A:19 |
4 |
1 |
182 |
◊ |
A |
x,y,z |
1_555 |
7 |
4 |
20693 |
44.2 |
0.7 |
0.776 |
0 |
0 |
0 |
0.000 |
32 |
32 |
|
[ACT]A:16 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
10 |
3 |
20693 |
44.2 |
-0.3 |
0.579 |
0 |
0 |
0 |
0.001 |
33 |
33 |
|
[ZN]A:525 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
6 |
4 |
20693 |
42.0 |
-20.7 |
0.000 |
0 |
0 |
0 |
0.081 |
34 |
34 |
|
[ZN]A:524 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
5 |
3 |
20693 |
40.0 |
-19.9 |
0.000 |
0 |
0 |
0 |
0.078 |
35 |
35 |
|
A |
7 |
4 |
20693 |
f |
[ZN]A:22 |
-x+1/2,-y+1/2,z-1/2 |
6_554 |
1 |
1 |
98 |
39.5 |
-23.9 |
0.000 |
0 |
0 |
0 |
0.093 |
36 |
36 |
|
[ZN]A:521 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
9 |
3 |
20693 |
38.8 |
-19.1 |
0.000 |
0 |
0 |
0 |
0.123 |
37 |
|
[ZN]A:522 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
5 |
2 |
20693 |
27.7 |
-12.4 |
0.000 |
0 |
0 |
0 |
0.123 |
Average: |
33.3 |
-15.8 |
0.000 |
0 |
0 |
0 |
0.123 |
37 |
38 |
|
A |
3 |
1 |
20693 |
◊ |
A |
-x+1,y,-z-1/2 |
3_654 |
3 |
1 |
20693 |
38.8 |
0.9 |
0.875 |
2 |
0 |
0 |
0.000 |
38 |
39 |
|
[ZN]A:520 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
9 |
4 |
20693 |
34.9 |
-16.6 |
0.000 |
0 |
0 |
0 |
0.065 |
39 |
40 |
|
[ZN]A:522 |
1 |
1 |
98 |
f |
[ZN]A:521 |
x,y,z |
1_555 |
1 |
1 |
98 |
34.9 |
-27.9 |
0.000 |
0 |
0 |
0 |
0.109 |
40 |
41 |
|
[ZN]A:526 |
1 |
1 |
98 |
f |
A |
-x+1,y,-z+1/2 |
3_655 |
9 |
3 |
20693 |
34.9 |
-16.1 |
0.000 |
0 |
0 |
0 |
0.063 |
41 |
42 |
|
[ZN]A:22 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
6 |
2 |
20693 |
33.1 |
-14.7 |
0.000 |
0 |
0 |
0 |
0.000 |
42 |
43 |
|
[EDO]A:13 |
2 |
1 |
181 |
◊ |
A |
x,-y+1,-z |
4_565 |
5 |
3 |
20693 |
31.3 |
1.1 |
0.911 |
1 |
0 |
0 |
0.000 |
43 |
44 |
|
[ZN]A:523 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
8 |
3 |
20693 |
30.2 |
-14.8 |
0.000 |
0 |
0 |
0 |
0.058 |
44 |
45 |
|
[ZN]A:526 |
1 |
1 |
98 |
◊ |
[ACT]A:16 |
x,y,z |
1_555 |
3 |
1 |
183 |
30.0 |
-15.1 |
0.000 |
0 |
0 |
0 |
0.055 |
45 |
46 |
|
[ZN]A:520 |
1 |
1 |
98 |
f |
[ACT]A:17 |
x,y,z |
1_555 |
3 |
1 |
183 |
29.3 |
-11.0 |
0.000 |
0 |
0 |
0 |
0.151 |
47 |
|
[ZN]A:520 |
1 |
1 |
98 |
f |
[ACT]A:18 |
x,y,z |
1_555 |
3 |
1 |
183 |
27.9 |
-10.1 |
0.000 |
0 |
0 |
0 |
0.151 |
48 |
|
[ZN]A:523 |
1 |
1 |
98 |
f |
[ACT]A:15 |
x,y,z |
1_555 |
3 |
1 |
182 |
27.5 |
-9.8 |
0.000 |
0 |
0 |
0 |
0.151 |
49 |
|
[ZN]A:523 |
1 |
1 |
98 |
f |
[ACT]A:16 |
x,y,z |
1_555 |
1 |
1 |
183 |
22.1 |
-7.8 |
0.000 |
0 |
0 |
0 |
0.151 |
Average: |
26.7 |
-9.7 |
0.000 |
0 |
0 |
0 |
0.151 |
46 |
50 |
|
[ACT]A:18 |
3 |
1 |
183 |
f |
[ACT]A:17 |
x,y,z |
1_555 |
3 |
1 |
183 |
29.2 |
0.5 |
0.875 |
0 |
0 |
0 |
0.000 |
47 |
51 |
|
[EDO]A:8 |
2 |
1 |
183 |
◊ |
[EDO]A:14 |
-x+1,y,-z+1/2 |
3_655 |
3 |
1 |
184 |
29.0 |
1.8 |
0.707 |
0 |
0 |
0 |
0.000 |
48 |
52 |
|
A |
2 |
1 |
20693 |
x |
A |
x-1/2,-y+1/2,-z |
8_455 |
3 |
2 |
20693 |
25.9 |
0.9 |
0.889 |
1 |
2 |
0 |
0.000 |
49 |
53 |
|
[ZN]A:524 |
1 |
1 |
98 |
◊ |
A |
x,-y+1,-z |
4_565 |
2 |
2 |
20693 |
25.2 |
-10.3 |
0.000 |
0 |
0 |
0 |
0.040 |
50 |
54 |
|
[ACT]A:16 |
3 |
1 |
183 |
f |
[ACT]A:15 |
x,y,z |
1_555 |
3 |
1 |
182 |
24.8 |
0.4 |
0.776 |
0 |
0 |
0 |
0.000 |
51 |
55 |
|
A |
6 |
3 |
20693 |
◊ |
[CL]A:20 |
-x+1/2,-y+1/2,z-1/2 |
6_554 |
1 |
1 |
125 |
22.4 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.000 |
52 |
56 |
|
[ACT]A:19 |
2 |
1 |
182 |
f |
A |
-x+1,y,-z+1/2 |
3_655 |
1 |
1 |
20693 |
21.4 |
0.1 |
0.687 |
0 |
0 |
0 |
0.000 |
53 |
57 |
|
[ZN]A:526 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
3 |
2 |
20693 |
20.1 |
-8.1 |
0.000 |
0 |
0 |
0 |
0.030 |
54 |
58 |
|
[ZN]A:524 |
1 |
1 |
98 |
f |
[EDO]A:13 |
x,y,z |
1_555 |
2 |
1 |
181 |
18.2 |
-7.2 |
0.000 |
0 |
0 |
0 |
0.028 |
55 |
59 |
|
[ZN]A:523 |
1 |
1 |
98 |
◊ |
A |
-x+1,y,-z+1/2 |
3_655 |
5 |
2 |
20693 |
16.7 |
-6.4 |
0.000 |
0 |
0 |
0 |
0.023 |
56 |
60 |
|
[EDO]A:11 |
2 |
1 |
185 |
f |
[EDO]A:11 |
x,-y+1,-z |
4_565 |
2 |
1 |
185 |
15.1 |
0.5 |
1.000 |
0 |
0 |
0 |
0.000 |
57 |
61 |
|
[ZN]A:525 |
1 |
1 |
98 |
◊ |
A |
-x+1/2,-y+1/2,z-1/2 |
6_554 |
2 |
1 |
20693 |
12.9 |
-5.6 |
0.000 |
0 |
0 |
0 |
0.000 |
58 |
62 |
|
[ZN]A:525 |
1 |
1 |
98 |
◊ |
A |
x,y,z-1 |
1_554 |
1 |
1 |
20693 |
9.8 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.000 |
59 |
63 |
|
[EDO]A:7 |
1 |
1 |
184 |
◊ |
[EDO]A:13 |
x,-y+1,-z |
4_565 |
2 |
1 |
181 |
5.6 |
0.2 |
1.000 |
0 |
0 |
0 |
0.000 |
60 |
64 |
|
[EDO]A:3 |
1 |
1 |
184 |
f |
[EDO]A:2 |
x,y,z |
1_555 |
1 |
1 |
184 |
2.5 |
0.1 |
1.000 |
0 |
0 |
0 |
0.000 |
61 |
65 |
|
[CL]A:21 |
1 |
1 |
125 |
◊ |
A |
-x+1/2,-y+1/2,z-1/2 |
6_554 |
1 |
1 |
20693 |
0.5 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.000 |
|