## |
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 |
175 |
47 |
15350 |
◊ |
A |
x,y,z |
1_555 |
175 |
48 |
15457 |
1658.5 |
-19.8 |
0.090 |
19 |
0 |
0 |
0.203 |
2 |
2 |
|
[NAJ]A:377 |
42 |
1 |
863 |
f |
A |
x,y,z |
1_555 |
77 |
36 |
15457 |
596.6 |
-10.3 |
0.238 |
13 |
0 |
0 |
0.235 |
3 |
|
[NAJ]B:377 |
42 |
1 |
860 |
f |
B |
x,y,z |
1_555 |
74 |
36 |
15350 |
592.9 |
-10.3 |
0.230 |
14 |
0 |
0 |
0.235 |
Average: |
594.8 |
-10.3 |
0.234 |
14 |
0 |
0 |
0.235 |
3 |
4 |
|
A |
51 |
16 |
15457 |
◊ |
B |
x-1,y-1,z |
1_445 |
51 |
14 |
15350 |
458.3 |
4.4 |
0.923 |
6 |
4 |
0 |
0.000 |
4 |
5 |
|
B |
27 |
11 |
15350 |
◊ |
A |
x,y,z-1 |
1_554 |
31 |
13 |
15457 |
222.6 |
3.3 |
0.903 |
3 |
1 |
0 |
0.000 |
5 |
6 |
|
B |
22 |
7 |
15350 |
◊ |
A |
x-1,y,z-1 |
1_454 |
26 |
6 |
15457 |
175.4 |
1.2 |
0.774 |
2 |
2 |
0 |
0.000 |
6 |
7 |
|
A |
16 |
5 |
15457 |
x |
A |
x-1,y,z |
1_455 |
13 |
6 |
15457 |
136.3 |
0.8 |
0.735 |
2 |
2 |
0 |
0.000 |
7 |
8 |
|
[MRD]A:381 |
7 |
1 |
282 |
f |
A |
x,y,z |
1_555 |
15 |
6 |
15457 |
124.4 |
2.3 |
0.508 |
2 |
0 |
0 |
0.000 |
8 |
9 |
|
B |
16 |
8 |
15350 |
x |
B |
x-1,y,z |
1_455 |
11 |
5 |
15350 |
119.8 |
0.5 |
0.675 |
0 |
0 |
0 |
0.000 |
9 |
10 |
|
[MRD]A:382 |
7 |
1 |
271 |
◊ |
A |
x,y,z |
1_555 |
17 |
4 |
15457 |
116.8 |
2.3 |
0.432 |
1 |
0 |
0 |
0.000 |
10 |
11 |
|
[ETF]B:378 |
6 |
1 |
208 |
f |
B |
x,y,z |
1_555 |
15 |
10 |
15350 |
98.3 |
1.3 |
0.196 |
4 |
0 |
0 |
0.006 |
12 |
|
[ETF]A:378 |
6 |
1 |
208 |
f |
A |
x,y,z |
1_555 |
15 |
10 |
15457 |
96.7 |
1.4 |
0.202 |
4 |
0 |
0 |
0.006 |
Average: |
97.5 |
1.3 |
0.199 |
4 |
0 |
0 |
0.006 |
11 |
13 |
|
[MRD]A:380 |
5 |
1 |
276 |
◊ |
B |
x-1,y-1,z |
1_445 |
14 |
5 |
15350 |
93.2 |
1.4 |
0.467 |
0 |
0 |
0 |
0.000 |
12 |
14 |
|
[MRD]A:380 |
5 |
1 |
276 |
f |
A |
x,y,z |
1_555 |
14 |
4 |
15457 |
92.4 |
0.9 |
0.437 |
1 |
0 |
0 |
0.000 |
13 |
15 |
|
[MRD]B:379 |
7 |
1 |
277 |
f |
B |
x,y,z |
1_555 |
15 |
5 |
15350 |
89.9 |
-0.1 |
0.274 |
1 |
0 |
0 |
0.004 |
14 |
16 |
|
[MRD]A:379 |
5 |
1 |
276 |
f |
A |
x,y,z |
1_555 |
10 |
5 |
15457 |
78.3 |
0.2 |
0.328 |
2 |
0 |
0 |
0.005 |
15 |
17 |
|
[MRD]A:379 |
3 |
1 |
276 |
◊ |
A |
x-1,y,z |
1_455 |
9 |
3 |
15457 |
55.3 |
1.1 |
0.489 |
0 |
0 |
0 |
0.000 |
16 |
18 |
|
[ETF]A:378 |
6 |
1 |
208 |
f |
[NAJ]A:377 |
x,y,z |
1_555 |
10 |
1 |
863 |
48.8 |
0.1 |
0.050 |
0 |
0 |
0 |
0.000 |
19 |
|
[ETF]B:378 |
6 |
1 |
208 |
f |
[NAJ]B:377 |
x,y,z |
1_555 |
11 |
1 |
860 |
48.4 |
0.1 |
0.051 |
0 |
0 |
0 |
0.000 |
Average: |
48.6 |
0.1 |
0.051 |
0 |
0 |
0 |
0.000 |
17 |
20 |
|
[ZN]B:375 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
6 |
5 |
15350 |
30.4 |
-22.9 |
0.000 |
0 |
0 |
0 |
0.330 |
21 |
|
[ZN]A:375 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
5 |
4 |
15457 |
30.3 |
-22.9 |
0.000 |
0 |
0 |
0 |
0.330 |
Average: |
30.3 |
-22.9 |
0.000 |
0 |
0 |
0 |
0.330 |
18 |
22 |
|
A |
2 |
1 |
15457 |
◊ |
B |
x-1,y,z |
1_455 |
2 |
1 |
15350 |
28.3 |
-0.1 |
0.382 |
0 |
0 |
0 |
0.000 |
19 |
23 |
|
[NAJ]B:377 |
3 |
1 |
860 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
15457 |
26.0 |
-0.1 |
0.380 |
0 |
0 |
0 |
0.001 |
24 |
|
[NAJ]A:377 |
3 |
1 |
863 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
15350 |
25.5 |
-0.1 |
0.395 |
0 |
0 |
0 |
0.001 |
Average: |
25.8 |
-0.1 |
0.388 |
0 |
0 |
0 |
0.001 |
20 |
25 |
|
[ETF]B:378 |
2 |
1 |
208 |
f |
[ZN]B:375 |
x,y,z |
1_555 |
1 |
1 |
98 |
21.6 |
-8.5 |
0.000 |
0 |
0 |
0 |
0.122 |
26 |
|
[ETF]A:378 |
2 |
1 |
208 |
f |
[ZN]A:375 |
x,y,z |
1_555 |
1 |
1 |
98 |
21.5 |
-8.4 |
0.000 |
0 |
0 |
0 |
0.122 |
Average: |
21.5 |
-8.5 |
0.000 |
0 |
0 |
0 |
0.122 |
21 |
27 |
|
[NAJ]A:377 |
3 |
1 |
863 |
f |
[ZN]A:375 |
x,y,z |
1_555 |
1 |
1 |
98 |
21.0 |
-7.9 |
0.000 |
0 |
0 |
0 |
0.113 |
28 |
|
[NAJ]B:377 |
3 |
1 |
860 |
f |
[ZN]B:375 |
x,y,z |
1_555 |
1 |
1 |
98 |
21.0 |
-7.8 |
0.000 |
0 |
0 |
0 |
0.113 |
Average: |
21.0 |
-7.8 |
0.000 |
0 |
0 |
0 |
0.113 |
22 |
29 |
|
B |
4 |
2 |
15350 |
f |
[MRD]A:382 |
x-1,y,z-1 |
1_454 |
2 |
1 |
271 |
20.4 |
0.4 |
0.421 |
0 |
0 |
0 |
0.000 |
23 |
30 |
|
B |
2 |
1 |
15350 |
◊ |
A |
x-1,y-1,z-1 |
1_444 |
3 |
1 |
15457 |
13.3 |
0.3 |
0.776 |
0 |
0 |
0 |
0.000 |
24 |
31 |
|
[ETF]B:378 |
1 |
1 |
208 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
15457 |
4.7 |
0.0 |
0.225 |
0 |
0 |
0 |
0.000 |
32 |
|
[ETF]A:378 |
1 |
1 |
208 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
15350 |
4.1 |
0.0 |
0.234 |
0 |
0 |
0 |
0.000 |
Average: |
4.4 |
0.0 |
0.229 |
0 |
0 |
0 |
0.000 |
|