## |
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 |
309 |
76 |
16695 |
◊ |
A |
x,y,z |
1_555 |
311 |
76 |
16480 |
3173.8 |
-45.5 |
0.017 |
40 |
20 |
0 |
0.516 |
2 |
2 |
|
B |
53 |
20 |
16695 |
x |
B |
-x+1/2,y-1/2,-z+1 |
4_546 |
47 |
16 |
16695 |
426.0 |
-4.2 |
0.490 |
3 |
0 |
0 |
0.000 |
3 |
3 |
|
A |
44 |
14 |
16480 |
x |
A |
-x-1/2,y-1/2,-z |
4_445 |
39 |
11 |
16480 |
370.0 |
-1.9 |
0.651 |
3 |
1 |
0 |
0.000 |
4 |
4 |
|
A |
21 |
14 |
16480 |
◊ |
B |
x-1/2,y+1/2,z |
3_455 |
18 |
6 |
16695 |
223.8 |
1.2 |
0.794 |
3 |
5 |
0 |
0.000 |
5 |
5 |
|
[PG6]A:406 |
17 |
1 |
546 |
f |
A |
x,y,z |
1_555 |
29 |
9 |
16480 |
222.4 |
3.4 |
0.130 |
0 |
0 |
0 |
0.000 |
6 |
6 |
|
[PG4]B:403 |
13 |
1 |
411 |
◊ |
B |
x,y,z |
1_555 |
29 |
10 |
16695 |
199.0 |
2.9 |
0.196 |
0 |
0 |
0 |
0.000 |
7 |
7 |
|
[PG6]A:406 |
17 |
1 |
546 |
◊ |
B |
x,y,z |
1_555 |
26 |
12 |
16695 |
187.5 |
1.8 |
0.089 |
0 |
0 |
0 |
0.000 |
8 |
8 |
|
[PG6]A:407 |
14 |
1 |
547 |
◊ |
B |
x,y,z |
1_555 |
28 |
9 |
16695 |
177.0 |
2.9 |
0.223 |
1 |
0 |
0 |
0.000 |
9 |
9 |
|
[PG6]A:407 |
13 |
1 |
547 |
f |
A |
x,y,z |
1_555 |
24 |
7 |
16480 |
164.8 |
0.2 |
0.115 |
0 |
0 |
0 |
0.000 |
10 |
10 |
|
[PG4]A:405 |
13 |
1 |
405 |
◊ |
A |
x,y,z |
1_555 |
26 |
9 |
16480 |
160.7 |
2.1 |
0.208 |
1 |
0 |
0 |
0.000 |
11 |
11 |
|
[PG4]B:403 |
13 |
1 |
411 |
f |
A |
x,y,z |
1_555 |
18 |
9 |
16480 |
139.5 |
-1.0 |
0.074 |
0 |
0 |
0 |
0.008 |
12 |
12 |
|
[PG4]A:405 |
10 |
1 |
405 |
f |
B |
x,y,z |
1_555 |
17 |
6 |
16695 |
122.7 |
0.4 |
0.142 |
0 |
0 |
0 |
0.000 |
13 |
13 |
|
B |
14 |
5 |
16695 |
◊ |
A |
x,y-1,z |
1_545 |
14 |
5 |
16480 |
114.5 |
0.5 |
0.793 |
1 |
0 |
0 |
0.000 |
14 |
14 |
|
[EDO]B:404 |
4 |
1 |
183 |
◊ |
B |
x,y,z |
1_555 |
21 |
6 |
16695 |
109.0 |
2.9 |
0.442 |
5 |
0 |
0 |
0.000 |
15 |
15 |
|
[EDO]B:406 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
17 |
6 |
16695 |
106.3 |
3.4 |
0.506 |
2 |
0 |
0 |
0.000 |
16 |
16 |
|
[EDO]A:411 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
18 |
6 |
16480 |
104.3 |
3.1 |
0.484 |
1 |
0 |
0 |
0.000 |
17 |
17 |
|
[EDO]A:402 |
4 |
1 |
183 |
cf |
A |
x,y,z |
1_555 |
25 |
13 |
16480 |
102.6 |
2.4 |
0.552 |
4 |
0 |
0 |
0.000 |
18 |
18 |
|
[EDO]A:409 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
16 |
7 |
16480 |
99.7 |
2.6 |
0.506 |
3 |
0 |
0 |
0.000 |
19 |
19 |
|
[EDO]B:402 |
4 |
1 |
185 |
cf |
B |
x,y,z |
1_555 |
16 |
8 |
16695 |
95.3 |
3.1 |
0.612 |
1 |
0 |
0 |
0.000 |
20 |
20 |
|
[EDO]B:405 |
4 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
12 |
6 |
16695 |
88.1 |
1.7 |
0.220 |
0 |
0 |
0 |
0.000 |
21 |
21 |
|
[PG6]A:406 |
7 |
1 |
546 |
◊ |
[PG4]A:405 |
x,y,z |
1_555 |
7 |
1 |
405 |
70.3 |
1.8 |
0.102 |
0 |
0 |
0 |
0.000 |
22 |
22 |
|
[EDO]A:410 |
3 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
14 |
3 |
16695 |
66.8 |
1.4 |
0.243 |
2 |
0 |
0 |
0.000 |
23 |
23 |
|
[CL]A:404 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
10 |
4 |
16480 |
63.5 |
-10.0 |
0.000 |
0 |
0 |
0 |
0.078 |
24 |
24 |
|
[EDO]A:410 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
12 |
3 |
16480 |
61.0 |
1.3 |
0.227 |
0 |
0 |
0 |
0.000 |
25 |
25 |
|
[EDO]A:408 |
3 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
8 |
3 |
16480 |
55.6 |
1.5 |
0.841 |
1 |
0 |
0 |
0.000 |
26 |
26 |
|
[PG6]A:407 |
7 |
1 |
547 |
f |
[PG4]B:403 |
x,y,z |
1_555 |
3 |
1 |
411 |
40.9 |
1.7 |
0.156 |
0 |
0 |
0 |
0.000 |
27 |
27 |
|
[ZN]A:401 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
11 |
6 |
16480 |
37.9 |
-26.8 |
0.000 |
0 |
0 |
0 |
0.404 |
28 |
|
[ZN]B:401 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
6 |
4 |
16695 |
32.9 |
-25.1 |
0.000 |
0 |
0 |
0 |
0.404 |
Average: |
35.4 |
-25.9 |
0.000 |
0 |
0 |
0 |
0.404 |
28 |
29 |
|
[EDO]B:402 |
3 |
1 |
185 |
f |
[ZN]B:401 |
x,y,z |
1_555 |
1 |
1 |
98 |
29.5 |
-13.6 |
0.000 |
0 |
0 |
0 |
0.204 |
30 |
|
[EDO]A:402 |
3 |
1 |
183 |
cf |
[ZN]A:401 |
x,y,z |
1_555 |
1 |
1 |
98 |
29.2 |
-12.6 |
0.000 |
0 |
0 |
0 |
0.204 |
Average: |
29.3 |
-13.1 |
0.000 |
0 |
0 |
0 |
0.204 |
29 |
31 |
|
[CL]A:404 |
1 |
1 |
125 |
f |
[EDO]A:409 |
x,y,z |
1_555 |
2 |
1 |
184 |
28.2 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.017 |
30 |
32 |
|
[EDO]A:408 |
3 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
4 |
2 |
16695 |
27.5 |
0.6 |
0.677 |
0 |
0 |
0 |
0.000 |
31 |
33 |
|
[CA]A:403 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
10 |
5 |
16480 |
22.8 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.027 |
32 |
34 |
|
[PG6]A:407 |
1 |
1 |
547 |
f |
[PG6]A:406 |
x,y,z |
1_555 |
2 |
1 |
546 |
18.8 |
0.3 |
0.270 |
0 |
0 |
0 |
0.000 |
33 |
35 |
|
B |
2 |
1 |
16695 |
◊ |
A |
-x,y,-z+1 |
2_556 |
3 |
1 |
16480 |
17.2 |
-0.1 |
0.534 |
0 |
0 |
0 |
0.000 |
34 |
36 |
|
A |
2 |
1 |
16480 |
x |
A |
x-1/2,y+1/2,z |
3_455 |
2 |
1 |
16480 |
10.2 |
0.3 |
0.791 |
0 |
0 |
0 |
0.000 |
35 |
37 |
|
[PG6]A:407 |
1 |
1 |
547 |
f |
[EDO]A:410 |
x,y,z |
1_555 |
2 |
1 |
185 |
10.1 |
-0.0 |
0.471 |
0 |
0 |
0 |
0.000 |
36 |
38 |
|
[EDO]B:404 |
1 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
3 |
2 |
16480 |
9.9 |
0.2 |
0.848 |
0 |
0 |
0 |
0.000 |
37 |
39 |
|
[PG6]A:406 |
2 |
1 |
546 |
f |
[EDO]A:410 |
x,y,z |
1_555 |
2 |
1 |
185 |
5.2 |
0.3 |
0.475 |
0 |
0 |
0 |
0.000 |
|