## |
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 |
59 |
23 |
12255 |
x |
A |
-y+3/2,x+1/2,z+1/4 |
3_655 |
62 |
22 |
12255 |
494.2 |
1.8 |
0.743 |
1 |
0 |
0 |
0.000 |
2 |
2 |
|
A |
55 |
16 |
12255 |
x |
A |
x-1/2,-y+3/2,-z+3/4 |
6_465 |
55 |
17 |
12255 |
448.7 |
-3.1 |
0.320 |
1 |
2 |
0 |
0.000 |
3 |
3 |
|
[MRD]A:420 |
7 |
1 |
273 |
f |
A |
x,y,z |
1_555 |
25 |
12 |
12255 |
166.5 |
3.2 |
0.549 |
0 |
0 |
0 |
0.000 |
4 |
4 |
|
[MPD]A:418 |
7 |
1 |
277 |
f |
A |
x,y,z |
1_555 |
23 |
8 |
12255 |
144.4 |
-10.0 |
0.532 |
0 |
0 |
0 |
0.002 |
5 |
5 |
|
[MPD]A:422 |
7 |
1 |
280 |
f |
A |
-y+3/2,x+1/2,z+1/4 |
3_655 |
18 |
8 |
12255 |
128.8 |
-7.8 |
0.625 |
0 |
0 |
0 |
0.002 |
6 |
6 |
|
[MRD]A:423 |
7 |
1 |
274 |
◊ |
A |
-y+3/2,x+1/2,z+1/4 |
3_655 |
16 |
7 |
12255 |
113.3 |
1.5 |
0.356 |
0 |
0 |
0 |
0.000 |
7 |
7 |
|
[MPD]A:419 |
6 |
1 |
271 |
f |
A |
x,y,z |
1_555 |
15 |
6 |
12255 |
112.3 |
-6.9 |
0.779 |
0 |
0 |
0 |
0.002 |
8 |
8 |
|
[MPD]A:421 |
6 |
1 |
277 |
f |
A |
x,y,z |
1_555 |
15 |
5 |
12255 |
96.2 |
-5.5 |
0.654 |
0 |
0 |
0 |
0.001 |
9 |
9 |
|
A |
11 |
5 |
12255 |
◊ |
[MPD]A:421 |
x-1/2,-y+3/2,-z+3/4 |
6_465 |
5 |
1 |
277 |
83.1 |
-4.9 |
0.693 |
0 |
0 |
0 |
0.000 |
10 |
10 |
|
[MRD]A:423 |
6 |
1 |
274 |
f |
A |
x,y,z |
1_555 |
10 |
4 |
12255 |
76.5 |
2.8 |
0.484 |
0 |
0 |
0 |
0.000 |
11 |
11 |
|
[MPD]A:422 |
6 |
1 |
280 |
◊ |
A |
x,y,z |
1_555 |
9 |
3 |
12255 |
74.8 |
-4.0 |
0.735 |
0 |
0 |
0 |
0.000 |
12 |
12 |
|
[CL]A:417 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
12 |
5 |
12255 |
60.5 |
-8.4 |
0.000 |
0 |
0 |
0 |
0.002 |
13 |
13 |
|
[CL]A:413 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
10 |
8 |
12255 |
51.7 |
-7.0 |
0.000 |
0 |
0 |
0 |
0.003 |
14 |
|
[CL]A:414 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
11 |
6 |
12255 |
33.2 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.003 |
Average: |
42.5 |
-5.3 |
0.000 |
0 |
0 |
0 |
0.003 |
14 |
15 |
|
[ZN]A:408 |
1 |
1 |
98 |
cf |
A |
x,y,z |
1_555 |
6 |
2 |
12255 |
46.7 |
-29.8 |
0.000 |
0 |
0 |
0 |
0.007 |
15 |
16 |
|
[CA]A:404 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
5 |
5 |
12255 |
44.3 |
-11.9 |
0.000 |
0 |
0 |
0 |
0.003 |
16 |
17 |
|
[CA]A:403 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
8 |
5 |
12255 |
42.6 |
-10.2 |
0.000 |
0 |
0 |
0 |
0.002 |
17 |
18 |
|
[ZN]A:412 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
10 |
6 |
12255 |
41.8 |
-23.2 |
0.000 |
0 |
0 |
0 |
0.010 |
19 |
|
[ZN]A:411 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
6 |
3 |
12255 |
36.8 |
-17.7 |
0.000 |
0 |
0 |
0 |
0.010 |
Average: |
39.3 |
-20.4 |
0.000 |
0 |
0 |
0 |
0.010 |
18 |
20 |
|
[ZN]A:407 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
13 |
9 |
12255 |
41.1 |
-21.0 |
0.000 |
0 |
0 |
0 |
0.010 |
21 |
|
[ZN]A:406 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
9 |
7 |
12255 |
38.3 |
-19.9 |
0.000 |
0 |
0 |
0 |
0.010 |
Average: |
39.7 |
-20.5 |
0.000 |
0 |
0 |
0 |
0.010 |
19 |
22 |
|
[CL]A:416 |
1 |
1 |
125 |
◊ |
A |
x-1/2,-y+3/2,-z+3/4 |
6_465 |
7 |
2 |
12255 |
37.7 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.000 |
20 |
23 |
|
[CA]A:401 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
4 |
4 |
12255 |
36.2 |
-10.7 |
0.000 |
0 |
0 |
0 |
0.003 |
21 |
24 |
|
[CL]A:415 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
12 |
7 |
12255 |
36.1 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.000 |
22 |
25 |
|
[ZN]A:402 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
5 |
4 |
12255 |
36.1 |
-28.3 |
0.000 |
0 |
0 |
0 |
0.007 |
23 |
26 |
|
[ZN]A:405 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
6 |
6 |
12255 |
34.1 |
-25.4 |
0.000 |
0 |
0 |
0 |
0.006 |
24 |
27 |
|
[CL]A:416 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
12 |
4 |
12255 |
32.4 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.000 |
25 |
28 |
|
[CL]A:415 |
1 |
1 |
125 |
◊ |
A |
x-1/2,-y+3/2,-z+3/4 |
6_465 |
6 |
2 |
12255 |
30.4 |
-1.9 |
0.000 |
0 |
0 |
0 |
0.000 |
26 |
29 |
|
[ZN]A:409 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
9 |
7 |
12255 |
26.6 |
-12.4 |
0.000 |
0 |
0 |
0 |
0.003 |
27 |
30 |
|
[ZN]A:412 |
1 |
1 |
98 |
f |
[ZN]A:411 |
x,y,z |
1_555 |
1 |
1 |
98 |
25.7 |
-20.6 |
0.000 |
0 |
0 |
0 |
0.005 |
28 |
31 |
|
[MRD]A:423 |
1 |
1 |
274 |
◊ |
[MPD]A:422 |
x,y,z |
1_555 |
2 |
1 |
280 |
22.0 |
-0.3 |
0.845 |
0 |
0 |
0 |
0.000 |
29 |
32 |
|
[CL]A:413 |
1 |
1 |
125 |
f |
[ZN]A:409 |
x,y,z |
1_555 |
1 |
1 |
98 |
21.6 |
-10.0 |
0.000 |
0 |
0 |
0 |
0.002 |
30 |
33 |
|
[CL]A:414 |
1 |
1 |
125 |
f |
[CL]A:413 |
x,y,z |
1_555 |
1 |
1 |
125 |
21.5 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.001 |
31 |
34 |
|
[ZN]A:410 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
9 |
5 |
12255 |
21.3 |
-11.5 |
0.000 |
0 |
0 |
0 |
0.003 |
32 |
35 |
|
[CL]A:414 |
1 |
1 |
125 |
f |
[ZN]A:409 |
x,y,z |
1_555 |
1 |
1 |
98 |
20.8 |
-10.0 |
0.000 |
0 |
0 |
0 |
0.002 |
33 |
36 |
|
[ZN]A:410 |
1 |
1 |
98 |
◊ |
A |
x-1/2,-y+3/2,-z+3/4 |
6_465 |
7 |
2 |
12255 |
20.6 |
-6.4 |
0.000 |
0 |
0 |
0 |
0.000 |
34 |
37 |
|
[CL]A:414 |
1 |
1 |
125 |
◊ |
A |
x-1/2,-y+3/2,-z+3/4 |
6_465 |
1 |
1 |
12255 |
19.7 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.000 |
35 |
38 |
|
[MRD]A:420 |
2 |
1 |
273 |
f |
[ZN]A:406 |
x,y,z |
1_555 |
1 |
1 |
98 |
18.6 |
-7.2 |
0.000 |
0 |
0 |
0 |
0.002 |
36 |
39 |
|
[CL]A:416 |
1 |
1 |
125 |
f |
[ZN]A:410 |
x,y,z |
1_555 |
1 |
1 |
98 |
17.6 |
-8.6 |
0.000 |
0 |
0 |
0 |
0.002 |
37 |
40 |
|
[CL]A:415 |
1 |
1 |
125 |
f |
[ZN]A:410 |
x,y,z |
1_555 |
1 |
1 |
98 |
16.6 |
-8.4 |
0.000 |
0 |
0 |
0 |
0.002 |
38 |
41 |
|
[ZN]A:412 |
1 |
1 |
98 |
◊ |
[MPD]A:421 |
x-1/2,-y+3/2,-z+3/4 |
6_465 |
3 |
1 |
277 |
16.5 |
-7.3 |
0.000 |
0 |
0 |
0 |
0.000 |
42 |
|
[ZN]A:411 |
1 |
1 |
98 |
◊ |
[MPD]A:421 |
x-1/2,-y+3/2,-z+3/4 |
6_465 |
3 |
1 |
277 |
14.8 |
-6.9 |
0.000 |
0 |
0 |
0 |
0.000 |
Average: |
15.7 |
-7.1 |
0.000 |
0 |
0 |
0 |
0.000 |
39 |
43 |
|
[ZN]A:407 |
1 |
1 |
98 |
f |
[ZN]A:406 |
x,y,z |
1_555 |
1 |
1 |
98 |
16.1 |
-12.8 |
0.000 |
0 |
0 |
0 |
0.003 |
40 |
44 |
|
[MRD]A:420 |
4 |
1 |
273 |
f |
[ZN]A:407 |
x,y,z |
1_555 |
1 |
1 |
98 |
15.7 |
-6.1 |
0.000 |
0 |
0 |
0 |
0.002 |
45 |
|
[MRD]A:420 |
1 |
1 |
273 |
f |
[ZN]A:405 |
x,y,z |
1_555 |
1 |
1 |
98 |
11.7 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.002 |
Average: |
13.7 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.002 |
41 |
46 |
|
[CL]A:416 |
1 |
1 |
125 |
f |
[CL]A:415 |
x,y,z |
1_555 |
1 |
1 |
125 |
14.2 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.000 |
42 |
47 |
|
[CL]A:415 |
1 |
1 |
125 |
f |
[CL]A:414 |
x,y,z |
1_555 |
1 |
1 |
125 |
14.2 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.000 |
43 |
48 |
|
[ZN]A:407 |
1 |
1 |
98 |
f |
[ZN]A:405 |
x,y,z |
1_555 |
1 |
1 |
98 |
13.8 |
-11.0 |
0.000 |
0 |
0 |
0 |
0.003 |
44 |
49 |
|
A |
3 |
1 |
12255 |
◊ |
[ZN]A:402 |
-y+3/2,x+1/2,z+1/4 |
3_655 |
1 |
1 |
98 |
13.8 |
-5.8 |
0.000 |
0 |
0 |
0 |
0.000 |
45 |
50 |
|
[ZN]A:406 |
1 |
1 |
98 |
f |
[ZN]A:405 |
x,y,z |
1_555 |
1 |
1 |
98 |
13.4 |
-10.7 |
0.000 |
0 |
0 |
0 |
0.003 |
46 |
51 |
|
[ZN]A:402 |
1 |
1 |
98 |
f |
[CA]A:401 |
x,y,z |
1_555 |
1 |
1 |
85 |
12.2 |
-6.4 |
0.000 |
0 |
0 |
0 |
0.002 |
47 |
52 |
|
[CL]A:415 |
1 |
1 |
125 |
f |
[ZN]A:409 |
x,y,z |
1_555 |
1 |
1 |
98 |
9.8 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.001 |
48 |
53 |
|
[ZN]A:410 |
1 |
1 |
98 |
f |
[ZN]A:409 |
x,y,z |
1_555 |
1 |
1 |
98 |
8.9 |
-7.1 |
0.000 |
0 |
0 |
0 |
0.002 |
49 |
54 |
|
[CL]A:414 |
1 |
1 |
125 |
f |
[ZN]A:410 |
x,y,z |
1_555 |
1 |
1 |
98 |
8.0 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.000 |
50 |
55 |
|
[ZN]A:409 |
1 |
1 |
98 |
◊ |
A |
x-1/2,-y+3/2,-z+3/4 |
6_465 |
1 |
1 |
12255 |
7.6 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.000 |
51 |
56 |
|
[CL]A:413 |
1 |
1 |
125 |
f |
[ZN]A:410 |
x,y,z |
1_555 |
1 |
1 |
98 |
4.2 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.000 |
52 |
57 |
|
[ZN]A:408 |
1 |
1 |
98 |
f |
[ZN]A:406 |
x,y,z |
1_555 |
1 |
1 |
98 |
4.2 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.000 |
53 |
58 |
|
[CL]A:416 |
1 |
1 |
125 |
f |
[ZN]A:409 |
x,y,z |
1_555 |
1 |
1 |
98 |
3.9 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.000 |
54 |
59 |
|
[CL]A:416 |
1 |
1 |
125 |
f |
[CL]A:414 |
x,y,z |
1_555 |
1 |
1 |
125 |
2.2 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.000 |
55 |
60 |
|
[MPD]A:418 |
1 |
1 |
277 |
◊ |
A |
-y+3/2,x+1/2,z+1/4 |
3_655 |
1 |
1 |
12255 |
2.0 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.000 |
56 |
61 |
|
[CL]A:415 |
1 |
1 |
125 |
f |
[CL]A:413 |
x,y,z |
1_555 |
1 |
1 |
125 |
1.9 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.000 |
57 |
62 |
|
[MRD]A:423 |
1 |
1 |
274 |
◊ |
[ZN]A:402 |
-y+3/2,x+1/2,z+1/4 |
3_655 |
1 |
1 |
98 |
1.3 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.000 |
|