## |
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 |
193 |
56 |
11923 |
◊ |
A |
x,y,z |
1_555 |
200 |
57 |
12036 |
1812.1 |
-22.2 |
0.166 |
17 |
6 |
0 |
0.534 |
2 |
|
L |
192 |
54 |
11900 |
◊ |
H |
x,y,z |
1_555 |
194 |
57 |
12021 |
1799.7 |
-21.7 |
0.172 |
15 |
6 |
0 |
0.534 |
Average: |
1805.9 |
-21.9 |
0.169 |
16 |
6 |
0 |
0.534 |
2 |
3 |
|
H |
53 |
19 |
12021 |
◊ |
A |
x,y,z |
1_555 |
52 |
19 |
12036 |
409.6 |
3.0 |
0.955 |
2 |
2 |
0 |
0.000 |
3 |
4 |
|
H |
42 |
13 |
12021 |
x |
H |
x,y,z-1 |
1_554 |
41 |
13 |
12021 |
372.4 |
-4.0 |
0.467 |
0 |
1 |
0 |
0.000 |
5 |
|
A |
38 |
12 |
12036 |
x |
A |
x,y,z-1 |
1_554 |
41 |
13 |
12036 |
360.6 |
-4.0 |
0.460 |
1 |
1 |
0 |
0.000 |
Average: |
366.5 |
-4.0 |
0.463 |
1 |
1 |
0 |
0.000 |
4 |
6 |
|
H |
38 |
11 |
12021 |
◊ |
A |
x,y,z-1 |
1_554 |
36 |
10 |
12036 |
369.7 |
-1.6 |
0.700 |
7 |
0 |
0 |
0.000 |
5 |
7 |
|
B |
32 |
12 |
11923 |
◊ |
A |
-y+1,x-y+1,z+1/3 |
2_665 |
37 |
11 |
12036 |
325.7 |
0.3 |
0.734 |
2 |
5 |
0 |
0.000 |
8 |
|
H |
39 |
11 |
12021 |
◊ |
L |
-y,x-y+1,z+1/3 |
2_565 |
31 |
12 |
11900 |
321.0 |
-1.3 |
0.632 |
3 |
5 |
0 |
0.000 |
Average: |
323.4 |
-0.5 |
0.683 |
3 |
5 |
0 |
0.000 |
6 |
9 |
|
B |
26 |
8 |
11923 |
◊ |
A |
x,y,z-1 |
1_554 |
22 |
7 |
12036 |
224.1 |
-3.5 |
0.249 |
1 |
0 |
0 |
0.000 |
10 |
|
H |
19 |
7 |
12021 |
◊ |
L |
x,y,z-1 |
1_554 |
27 |
8 |
11900 |
222.7 |
-3.8 |
0.169 |
1 |
0 |
0 |
0.000 |
Average: |
223.4 |
-3.6 |
0.209 |
1 |
0 |
0 |
0.000 |
7 |
11 |
|
H |
19 |
6 |
12021 |
◊ |
B |
-y,x-y,z-2/3 |
2_554 |
25 |
9 |
11923 |
218.5 |
2.3 |
0.839 |
6 |
5 |
0 |
0.015 |
12 |
|
L |
23 |
9 |
11900 |
◊ |
A |
-y,x-y,z-2/3 |
2_554 |
18 |
6 |
12036 |
216.2 |
2.0 |
0.839 |
5 |
5 |
0 |
0.015 |
Average: |
217.3 |
2.2 |
0.839 |
6 |
5 |
0 |
0.015 |
8 |
13 |
|
L |
22 |
9 |
11900 |
◊ |
B |
-y,x-y,z-2/3 |
2_554 |
23 |
10 |
11923 |
173.7 |
-3.5 |
0.210 |
0 |
0 |
0 |
0.026 |
9 |
14 |
|
L |
12 |
3 |
11900 |
◊ |
H |
x,y,z-1 |
1_554 |
9 |
5 |
12021 |
83.7 |
-1.2 |
0.416 |
0 |
0 |
0 |
0.000 |
15 |
|
A |
7 |
3 |
12036 |
◊ |
B |
x,y,z-1 |
1_554 |
12 |
3 |
11923 |
82.4 |
-0.9 |
0.447 |
0 |
0 |
0 |
0.000 |
Average: |
83.0 |
-1.1 |
0.432 |
0 |
0 |
0 |
0.000 |
10 |
16 |
|
[IMD]L:302 |
5 |
1 |
198 |
f |
L |
x,y,z |
1_555 |
12 |
3 |
11900 |
81.6 |
2.1 |
0.182 |
0 |
0 |
0 |
0.000 |
11 |
17 |
|
[IMD]B:302 |
5 |
1 |
199 |
f |
B |
x,y,z |
1_555 |
11 |
3 |
11923 |
79.6 |
1.7 |
0.130 |
0 |
0 |
0 |
0.000 |
12 |
18 |
|
L |
7 |
2 |
11900 |
◊ |
A |
x,y,z-1 |
1_554 |
9 |
5 |
12036 |
68.6 |
-1.1 |
0.369 |
0 |
0 |
0 |
0.000 |
19 |
|
H |
10 |
5 |
12021 |
◊ |
B |
x,y,z-1 |
1_554 |
6 |
2 |
11923 |
67.8 |
-1.1 |
0.371 |
0 |
0 |
0 |
0.000 |
Average: |
68.2 |
-1.1 |
0.370 |
0 |
0 |
0 |
0.000 |
13 |
20 |
|
H |
6 |
3 |
12021 |
◊ |
[IMD]B:302 |
-y,x-y,z-2/3 |
2_554 |
4 |
1 |
199 |
60.9 |
1.9 |
0.246 |
0 |
0 |
0 |
0.000 |
14 |
21 |
|
[IMD]L:302 |
4 |
1 |
198 |
◊ |
A |
-y,x-y,z-2/3 |
2_554 |
6 |
3 |
12036 |
54.9 |
1.1 |
0.125 |
1 |
0 |
0 |
0.000 |
15 |
22 |
|
[ZN]B:301 |
1 |
1 |
98 |
cf |
B |
x,y,z |
1_555 |
6 |
4 |
11923 |
34.2 |
-20.5 |
0.000 |
0 |
0 |
0 |
0.367 |
23 |
|
[ZN]L:301 |
1 |
1 |
98 |
cf |
L |
x,y,z |
1_555 |
7 |
4 |
11900 |
34.2 |
-20.4 |
0.000 |
0 |
0 |
0 |
0.367 |
Average: |
34.2 |
-20.4 |
0.000 |
0 |
0 |
0 |
0.367 |
16 |
24 |
|
[ZN]L:301 |
1 |
1 |
98 |
◊ |
A |
-y,x-y,z-2/3 |
2_554 |
3 |
1 |
12036 |
25.7 |
-10.0 |
0.000 |
0 |
0 |
0 |
0.146 |
25 |
|
H |
4 |
2 |
12021 |
◊ |
[ZN]B:301 |
-y,x-y,z-2/3 |
2_554 |
1 |
1 |
98 |
25.6 |
-9.7 |
0.000 |
0 |
0 |
0 |
0.146 |
Average: |
25.6 |
-9.9 |
0.000 |
0 |
0 |
0 |
0.146 |
17 |
26 |
|
[IMD]B:302 |
4 |
1 |
199 |
f |
[ZN]B:301 |
x,y,z |
1_555 |
1 |
1 |
98 |
24.3 |
-8.0 |
0.000 |
0 |
0 |
0 |
0.139 |
18 |
27 |
|
[IMD]L:302 |
3 |
1 |
198 |
f |
[ZN]L:301 |
x,y,z |
1_555 |
1 |
1 |
98 |
23.6 |
-8.1 |
0.000 |
0 |
0 |
0 |
0.146 |
19 |
28 |
|
L |
1 |
1 |
11900 |
x |
L |
-y,x-y+1,z+1/3 |
2_565 |
2 |
2 |
11900 |
3.7 |
-0.1 |
0.481 |
0 |
0 |
0 |
0.000 |
29 |
|
B |
2 |
2 |
11923 |
x |
B |
-y+1,x-y+1,z+1/3 |
2_665 |
1 |
1 |
11923 |
1.9 |
-0.0 |
0.528 |
0 |
0 |
0 |
0.000 |
Average: |
2.8 |
-0.0 |
0.505 |
0 |
0 |
0 |
0.000 |
20 |
30 |
|
L |
1 |
1 |
11900 |
x |
L |
x,y,z-1 |
1_554 |
1 |
1 |
11900 |
0.1 |
-0.0 |
0.612 |
0 |
0 |
0 |
0.000 |
|