## |
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 |
102 |
28 |
14800 |
◊ |
A |
x,y,z |
1_555 |
106 |
30 |
13957 |
1017.9 |
-6.4 |
0.468 |
16 |
4 |
0 |
0.093 |
2 |
2 |
|
A |
42 |
16 |
13957 |
◊ |
B |
-x+5/2,y-1/2,-z+2 |
4_747 |
33 |
13 |
14800 |
314.4 |
0.2 |
0.696 |
3 |
2 |
0 |
0.000 |
3 |
3 |
|
B |
33 |
10 |
14800 |
x |
B |
-x+5/2,y-1/2,-z+2 |
4_747 |
31 |
10 |
14800 |
298.8 |
-1.6 |
0.531 |
4 |
5 |
0 |
0.000 |
4 |
4 |
|
A |
27 |
7 |
13957 |
◊ |
B |
x-1/2,y-1/2,z |
3_445 |
28 |
7 |
14800 |
248.4 |
1.8 |
0.857 |
6 |
8 |
0 |
0.000 |
5 |
5 |
|
B |
28 |
9 |
14800 |
◊ |
B |
-x+3,y,-z+3 |
2_858 |
28 |
9 |
14800 |
244.9 |
-4.5 |
0.191 |
0 |
2 |
0 |
0.032 |
6 |
6 |
|
[16G]A:402 |
19 |
1 |
436 |
f |
A |
x,y,z |
1_555 |
41 |
21 |
13957 |
234.5 |
-1.5 |
0.157 |
5 |
0 |
0 |
0.025 |
7 |
7 |
|
A |
21 |
8 |
13957 |
◊ |
B |
x,y-1,z |
1_545 |
26 |
9 |
14800 |
210.4 |
-2.3 |
0.341 |
1 |
1 |
0 |
0.000 |
8 |
8 |
|
A |
24 |
7 |
13957 |
x |
A |
-x+5/2,y-1/2,-z+3 |
4_748 |
24 |
10 |
13957 |
204.0 |
2.5 |
0.896 |
0 |
0 |
0 |
0.000 |
9 |
9 |
|
B |
21 |
6 |
14800 |
x |
B |
x,y-1,z |
1_545 |
20 |
8 |
14800 |
177.7 |
-1.9 |
0.396 |
1 |
1 |
0 |
0.000 |
10 |
10 |
|
[DTT]B:405 |
4 |
1 |
291 |
f |
B |
-x+3,y,-z+3 |
2_858 |
13 |
6 |
14800 |
103.4 |
-3.9 |
0.244 |
1 |
0 |
0 |
0.058 |
11 |
11 |
|
A |
10 |
5 |
13957 |
◊ |
A |
-x+2,y,-z+2 |
2_757 |
10 |
5 |
13957 |
85.0 |
-1.7 |
0.258 |
0 |
0 |
0 |
0.000 |
12 |
12 |
|
[DTT]B:405 |
5 |
1 |
291 |
◊ |
B |
x,y,z |
1_555 |
10 |
6 |
14800 |
78.3 |
-1.1 |
0.492 |
1 |
0 |
0 |
0.020 |
13 |
13 |
|
A |
8 |
3 |
13957 |
f |
[CD]A:404 |
-x+5/2,y-1/2,-z+3 |
4_748 |
1 |
1 |
112 |
54.2 |
-5.6 |
0.000 |
0 |
0 |
0 |
0.037 |
14 |
14 |
|
[CL]B:404 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
10 |
7 |
14800 |
53.1 |
-8.6 |
0.000 |
0 |
0 |
0 |
0.115 |
15 |
|
[CL]A:405 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
15 |
11 |
13957 |
40.6 |
-6.8 |
0.000 |
0 |
0 |
0 |
0.115 |
Average: |
46.8 |
-7.7 |
0.000 |
0 |
0 |
0 |
0.115 |
15 |
16 |
|
[16G]A:402 |
5 |
1 |
436 |
◊ |
B |
x,y,z |
1_555 |
5 |
1 |
14800 |
51.1 |
-1.4 |
0.409 |
0 |
0 |
0 |
0.010 |
16 |
17 |
|
[CD]B:402 |
1 |
1 |
112 |
x |
B |
x,y,z |
1_555 |
8 |
4 |
14800 |
43.3 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.062 |
17 |
18 |
|
[CD]B:403 |
1 |
1 |
112 |
f |
B |
x,y,z |
1_555 |
8 |
6 |
14800 |
42.1 |
-6.0 |
0.000 |
0 |
0 |
0 |
0.080 |
19 |
|
[CD]A:403 |
1 |
1 |
112 |
f |
A |
x,y,z |
1_555 |
11 |
7 |
13957 |
31.2 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.080 |
Average: |
36.7 |
-5.5 |
0.000 |
0 |
0 |
0 |
0.080 |
18 |
20 |
|
[CD]A:404 |
1 |
1 |
112 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
13957 |
33.0 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.000 |
19 |
21 |
|
[ZN]B:401 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
7 |
6 |
14800 |
32.9 |
-24.7 |
0.000 |
0 |
0 |
0 |
0.331 |
22 |
|
[ZN]A:401 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
6 |
5 |
13957 |
27.8 |
-21.0 |
0.000 |
0 |
0 |
0 |
0.331 |
Average: |
30.4 |
-22.8 |
0.000 |
0 |
0 |
0 |
0.331 |
20 |
23 |
|
[CL]A:405 |
1 |
1 |
125 |
f |
[16G]A:402 |
x,y,z |
1_555 |
6 |
1 |
436 |
29.2 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.014 |
21 |
24 |
|
[CD]A:403 |
1 |
1 |
112 |
f |
[16G]A:402 |
x,y,z |
1_555 |
6 |
1 |
436 |
26.9 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.011 |
22 |
25 |
|
[CL]B:404 |
1 |
1 |
125 |
f |
[CD]B:403 |
x,y,z |
1_555 |
1 |
1 |
112 |
24.1 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.058 |
23 |
26 |
|
[CL]B:404 |
1 |
1 |
125 |
f |
[ZN]B:401 |
x,y,z |
1_555 |
1 |
1 |
98 |
23.3 |
-11.9 |
0.000 |
0 |
0 |
0 |
0.160 |
24 |
27 |
|
[CL]A:405 |
1 |
1 |
125 |
f |
[ZN]A:401 |
x,y,z |
1_555 |
1 |
1 |
98 |
19.2 |
-10.2 |
0.000 |
0 |
0 |
0 |
0.067 |
25 |
28 |
|
[CL]A:405 |
1 |
1 |
125 |
f |
[CD]A:403 |
x,y,z |
1_555 |
1 |
1 |
112 |
18.2 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.022 |
26 |
29 |
|
[16G]A:402 |
3 |
1 |
436 |
f |
[ZN]A:401 |
x,y,z |
1_555 |
1 |
1 |
98 |
14.5 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.030 |
27 |
30 |
|
[CD]B:403 |
1 |
1 |
112 |
f |
[ZN]B:401 |
x,y,z |
1_555 |
1 |
1 |
98 |
13.1 |
-6.2 |
0.000 |
0 |
0 |
0 |
0.084 |
28 |
31 |
|
[CD]A:403 |
1 |
1 |
112 |
f |
[ZN]A:401 |
x,y,z |
1_555 |
1 |
1 |
98 |
11.8 |
-5.7 |
0.000 |
0 |
0 |
0 |
0.038 |
29 |
32 |
|
[16G]A:402 |
3 |
1 |
436 |
◊ |
B |
-x+5/2,y-1/2,-z+2 |
4_747 |
3 |
1 |
14800 |
8.2 |
-0.1 |
0.563 |
0 |
0 |
0 |
0.000 |
|