| ## |
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 |
56 |
18 |
10004 |
◊ |
A |
x,y,z |
1_555 |
58 |
17 |
10053 |
518.6 |
-2.6 |
0.463 |
11 |
0 |
0 |
0.000 |
| 2 |
2 |
|
B |
41 |
10 |
10004 |
◊ |
A |
-x+2,y,-z+1 |
2_756 |
41 |
11 |
10053 |
390.5 |
1.8 |
0.815 |
8 |
2 |
0 |
0.000 |
| 3 |
3 |
|
B |
23 |
6 |
10004 |
x |
B |
-x+5/2,y-1/2,-z+2 |
4_747 |
30 |
11 |
10004 |
240.8 |
-1.9 |
0.399 |
3 |
3 |
0 |
0.000 |
4 |
|
A |
31 |
11 |
10053 |
x |
A |
-x+3/2,y-1/2,-z+1 |
4_646 |
24 |
7 |
10053 |
228.6 |
-1.4 |
0.502 |
2 |
3 |
0 |
0.000 |
| Average: |
234.7 |
-1.6 |
0.451 |
3 |
3 |
0 |
0.000 |
| 4 |
5 |
|
A |
16 |
6 |
10053 |
◊ |
B |
x-1/2,y-1/2,z-1 |
3_444 |
21 |
6 |
10004 |
142.5 |
0.1 |
0.561 |
1 |
0 |
0 |
0.000 |
6 |
|
A |
17 |
6 |
10053 |
◊ |
B |
x-1/2,y-1/2,z |
3_445 |
11 |
5 |
10004 |
115.6 |
1.4 |
0.800 |
2 |
0 |
0 |
0.000 |
| Average: |
129.1 |
0.7 |
0.680 |
2 |
0 |
0 |
0.000 |
| 5 |
7 |
|
B |
16 |
6 |
10004 |
◊ |
A |
-x+2,y,-z+2 |
2_757 |
18 |
8 |
10053 |
127.1 |
0.1 |
0.634 |
0 |
0 |
0 |
0.000 |
| 6 |
8 |
|
A |
14 |
5 |
10053 |
◊ |
B |
x-1,y,z-1 |
1_454 |
10 |
5 |
10004 |
116.4 |
-1.5 |
0.251 |
0 |
0 |
0 |
0.000 |
| 7 |
9 |
|
[BEZ]A:507 |
9 |
1 |
267 |
f |
A |
x,y,z |
1_555 |
15 |
5 |
10053 |
106.8 |
2.4 |
0.143 |
2 |
0 |
0 |
0.000 |
| 8 |
10 |
|
[BEZ]B:306 |
9 |
1 |
267 |
f |
B |
x,y,z |
1_555 |
16 |
5 |
10004 |
105.4 |
2.3 |
0.128 |
2 |
0 |
0 |
0.000 |
| 9 |
11 |
|
[BEZ]B:306 |
7 |
1 |
267 |
◊ |
B |
-x+5/2,y-1/2,-z+2 |
4_747 |
12 |
6 |
10004 |
79.4 |
1.8 |
0.134 |
2 |
0 |
0 |
0.000 |
| 10 |
12 |
|
A |
13 |
7 |
10053 |
◊ |
[BEZ]A:507 |
-x+3/2,y-1/2,-z+1 |
4_646 |
7 |
1 |
267 |
76.1 |
1.7 |
0.114 |
1 |
0 |
0 |
0.000 |
| 11 |
13 |
|
A |
5 |
1 |
10053 |
◊ |
B |
-x+3/2,y-1/2,-z+1 |
4_646 |
7 |
4 |
10004 |
67.2 |
2.3 |
0.901 |
3 |
1 |
0 |
0.000 |
| 12 |
14 |
|
A |
8 |
4 |
10053 |
◊ |
B |
-x+5/2,y-1/2,-z+2 |
4_747 |
8 |
2 |
10004 |
62.4 |
0.1 |
0.634 |
0 |
0 |
0 |
0.000 |
| 13 |
15 |
|
[FMT]A:506 |
3 |
1 |
147 |
f |
A |
x,y,z |
1_555 |
11 |
3 |
10053 |
61.9 |
-0.7 |
0.369 |
0 |
0 |
0 |
0.000 |
| 14 |
16 |
|
[FMT]B:305 |
3 |
1 |
150 |
◊ |
B |
-x+5/2,y-1/2,-z+2 |
4_747 |
14 |
6 |
10004 |
55.1 |
-0.3 |
0.351 |
2 |
0 |
0 |
0.000 |
| 15 |
17 |
|
A |
13 |
6 |
10053 |
◊ |
[FMT]A:505 |
-x+3/2,y-1/2,-z+1 |
4_646 |
3 |
1 |
149 |
52.5 |
-0.2 |
0.362 |
2 |
0 |
0 |
0.000 |
| 16 |
18 |
|
[FMT]A:506 |
3 |
1 |
147 |
◊ |
B |
x-1/2,y-1/2,z-1 |
3_444 |
7 |
5 |
10004 |
51.8 |
0.6 |
0.695 |
0 |
0 |
0 |
0.000 |
| 17 |
19 |
|
A |
3 |
1 |
10053 |
◊ |
A |
-x+2,y,-z+1 |
2_756 |
3 |
1 |
10053 |
47.8 |
-0.9 |
0.181 |
0 |
0 |
0 |
0.000 |
| 18 |
20 |
|
[ZN]B:302 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
5 |
3 |
10004 |
44.4 |
-33.9 |
0.000 |
0 |
0 |
0 |
0.033 |
21 |
|
[ZN]A:502 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
5 |
3 |
10053 |
44.4 |
-33.9 |
0.000 |
0 |
0 |
0 |
0.033 |
| Average: |
44.4 |
-33.9 |
0.000 |
0 |
0 |
0 |
0.033 |
| 19 |
22 |
|
[FMT]A:505 |
3 |
1 |
149 |
f |
A |
x,y,z |
1_555 |
11 |
5 |
10053 |
43.7 |
-0.1 |
0.419 |
1 |
0 |
0 |
0.000 |
| 20 |
23 |
|
[ZN]B:301 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
5 |
4 |
10004 |
43.1 |
-33.2 |
0.000 |
0 |
0 |
0 |
0.032 |
24 |
|
[ZN]A:501 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
4 |
3 |
10053 |
42.9 |
-34.0 |
0.000 |
0 |
0 |
0 |
0.032 |
| Average: |
43.0 |
-33.6 |
0.000 |
0 |
0 |
0 |
0.032 |
| 21 |
25 |
|
[FMT]B:305 |
3 |
1 |
150 |
f |
B |
x,y,z |
1_555 |
11 |
5 |
10004 |
42.4 |
-0.1 |
0.409 |
1 |
0 |
0 |
0.000 |
| 22 |
26 |
|
A |
3 |
2 |
10053 |
◊ |
A |
-x+2,y,-z+2 |
2_757 |
3 |
2 |
10053 |
38.1 |
-0.1 |
0.562 |
0 |
0 |
0 |
0.000 |
| 23 |
27 |
|
B |
3 |
2 |
10004 |
◊ |
B |
-x+2,y,-z+2 |
2_757 |
3 |
2 |
10004 |
29.4 |
0.3 |
0.721 |
0 |
0 |
0 |
0.000 |
| 24 |
28 |
|
[ZN]B:303 |
1 |
1 |
98 |
◊ |
B |
-x+5/2,y-1/2,-z+2 |
4_747 |
6 |
3 |
10004 |
23.6 |
-11.0 |
0.000 |
0 |
0 |
0 |
0.000 |
29 |
|
A |
6 |
3 |
10053 |
◊ |
[ZN]A:503 |
-x+3/2,y-1/2,-z+1 |
4_646 |
1 |
1 |
98 |
22.6 |
-10.6 |
0.000 |
0 |
0 |
0 |
0.000 |
| Average: |
23.1 |
-10.8 |
0.000 |
0 |
0 |
0 |
0.000 |
| 25 |
30 |
|
[BEZ]B:306 |
3 |
1 |
267 |
f |
[ZN]B:303 |
x,y,z |
1_555 |
1 |
1 |
98 |
23.5 |
-8.4 |
0.000 |
0 |
0 |
0 |
0.008 |
31 |
|
[BEZ]A:507 |
3 |
1 |
267 |
f |
[ZN]A:503 |
x,y,z |
1_555 |
1 |
1 |
98 |
23.2 |
-8.2 |
0.000 |
0 |
0 |
0 |
0.008 |
| Average: |
23.3 |
-8.3 |
0.000 |
0 |
0 |
0 |
0.008 |
| 26 |
32 |
|
[ZN]A:503 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
7 |
3 |
10053 |
23.3 |
-12.1 |
0.000 |
0 |
0 |
0 |
0.011 |
33 |
|
[ZN]B:303 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
7 |
3 |
10004 |
23.2 |
-11.9 |
0.000 |
0 |
0 |
0 |
0.011 |
| Average: |
23.2 |
-12.0 |
0.000 |
0 |
0 |
0 |
0.011 |
| 27 |
34 |
|
[BEZ]A:507 |
2 |
1 |
267 |
f |
[FMT]A:505 |
x,y,z |
1_555 |
3 |
1 |
149 |
20.9 |
0.4 |
0.160 |
0 |
0 |
0 |
0.000 |
| 28 |
35 |
|
[BEZ]B:306 |
1 |
1 |
267 |
f |
[FMT]B:305 |
x,y,z |
1_555 |
3 |
1 |
150 |
19.7 |
0.4 |
0.240 |
0 |
0 |
0 |
0.000 |
| 29 |
36 |
|
[FMT]A:505 |
3 |
1 |
149 |
cf |
[ZN]A:503 |
x,y,z |
1_555 |
1 |
1 |
98 |
19.5 |
-7.7 |
0.000 |
0 |
0 |
0 |
0.007 |
37 |
|
[FMT]B:305 |
3 |
1 |
150 |
f |
[ZN]B:303 |
x,y,z |
1_555 |
1 |
1 |
98 |
18.7 |
-7.2 |
0.000 |
0 |
0 |
0 |
0.007 |
| Average: |
19.1 |
-7.4 |
0.000 |
0 |
0 |
0 |
0.007 |
| 30 |
38 |
|
B |
2 |
1 |
10004 |
◊ |
B |
-x+2,y,-z+1 |
2_756 |
2 |
1 |
10004 |
18.3 |
-0.6 |
0.204 |
0 |
0 |
0 |
0.000 |
| 31 |
39 |
|
[ZN]B:302 |
1 |
1 |
98 |
f |
[ZN]B:301 |
x,y,z |
1_555 |
1 |
1 |
98 |
13.0 |
-10.4 |
0.000 |
0 |
0 |
0 |
0.010 |
| 32 |
40 |
|
[ZN]A:502 |
1 |
1 |
98 |
f |
[ZN]A:501 |
x,y,z |
1_555 |
1 |
1 |
98 |
12.9 |
-10.3 |
0.000 |
0 |
0 |
0 |
0.010 |
|