## |
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 |
150 |
32 |
8156 |
◊ |
A |
x,y,z |
1_555 |
148 |
39 |
8187 |
1418.7 |
-13.5 |
0.168 |
19 |
5 |
0 |
0.793 |
2 |
|
C |
156 |
41 |
8123 |
◊ |
A |
x,y,z |
1_555 |
147 |
32 |
8187 |
1407.5 |
-12.6 |
0.204 |
20 |
7 |
0 |
0.793 |
3 |
|
C |
144 |
31 |
8123 |
◊ |
B |
x,y,z |
1_555 |
152 |
39 |
8156 |
1358.6 |
-12.3 |
0.224 |
20 |
6 |
0 |
0.793 |
Average: |
1394.9 |
-12.8 |
0.199 |
20 |
6 |
0 |
0.793 |
2 |
4 |
|
C |
34 |
10 |
8123 |
◊ |
B |
x-y,x,z-1/6 |
2_554 |
39 |
12 |
8156 |
316.9 |
-1.2 |
0.538 |
3 |
1 |
0 |
0.000 |
3 |
5 |
|
C |
30 |
8 |
8123 |
◊ |
A |
x,y,z-1 |
1_554 |
28 |
7 |
8187 |
247.3 |
-0.7 |
0.536 |
3 |
0 |
0 |
0.000 |
4 |
6 |
|
[DUP]C:202 |
16 |
1 |
573 |
◊ |
C |
x,y,z |
1_555 |
30 |
12 |
8123 |
207.8 |
1.4 |
0.694 |
4 |
0 |
0 |
0.000 |
7 |
|
[DUP]A:200 |
16 |
1 |
560 |
◊ |
A |
x,y,z |
1_555 |
31 |
11 |
8187 |
202.9 |
2.4 |
0.737 |
4 |
0 |
0 |
0.000 |
8 |
|
[DUP]B:201 |
16 |
1 |
555 |
◊ |
B |
x,y,z |
1_555 |
32 |
12 |
8156 |
194.1 |
2.4 |
0.708 |
3 |
0 |
0 |
0.000 |
Average: |
201.6 |
2.1 |
0.713 |
4 |
0 |
0 |
0.000 |
5 |
9 |
|
[DUP]C:202 |
16 |
1 |
573 |
f |
B |
x,y,z |
1_555 |
22 |
7 |
8156 |
192.4 |
-1.9 |
0.512 |
7 |
0 |
0 |
0.154 |
10 |
|
[DUP]A:200 |
18 |
1 |
560 |
f |
C |
x,y,z |
1_555 |
21 |
7 |
8123 |
173.1 |
-1.0 |
0.599 |
4 |
0 |
0 |
0.154 |
11 |
|
[DUP]B:201 |
14 |
1 |
555 |
f |
A |
x,y,z |
1_555 |
22 |
7 |
8187 |
161.2 |
-2.3 |
0.493 |
7 |
0 |
0 |
0.154 |
Average: |
175.6 |
-1.7 |
0.535 |
6 |
0 |
0 |
0.154 |
6 |
12 |
|
B |
21 |
7 |
8156 |
◊ |
C |
-x-1,-y-1,z-1/2 |
4_444 |
16 |
5 |
8123 |
162.5 |
1.0 |
0.709 |
0 |
0 |
0 |
0.000 |
7 |
13 |
|
C |
14 |
4 |
8123 |
◊ |
B |
x,y,z-1 |
1_554 |
17 |
5 |
8156 |
118.6 |
0.9 |
0.694 |
1 |
0 |
0 |
0.000 |
8 |
14 |
|
[EDO]C:401 |
4 |
1 |
185 |
◊ |
C |
x,y,z |
1_555 |
13 |
5 |
8123 |
94.8 |
3.3 |
0.524 |
2 |
0 |
0 |
0.000 |
9 |
15 |
|
C |
6 |
4 |
8123 |
◊ |
A |
x-y,x,z-1/6 |
2_554 |
6 |
2 |
8187 |
62.1 |
-2.0 |
0.127 |
0 |
0 |
0 |
0.000 |
10 |
16 |
|
[EDO]C:401 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
9 |
5 |
8156 |
55.7 |
1.3 |
0.716 |
0 |
0 |
0 |
0.000 |
11 |
17 |
|
[MG]B:300 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
8 |
4 |
8156 |
43.5 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.049 |
12 |
18 |
|
[CL]A:301 |
1 |
1 |
125 |
◊ |
C |
x,y,z |
1_555 |
9 |
3 |
8123 |
37.7 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.117 |
19 |
|
[CL]A:301 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
9 |
3 |
8187 |
37.3 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.117 |
20 |
|
[CL]A:301 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
9 |
3 |
8156 |
34.6 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.117 |
Average: |
36.5 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.117 |
13 |
21 |
|
[DUP]A:200 |
6 |
1 |
560 |
◊ |
B |
x-y,x,z-1/6 |
2_554 |
4 |
2 |
8156 |
34.9 |
-1.5 |
0.450 |
0 |
0 |
0 |
0.000 |
14 |
22 |
|
[MG]B:300 |
1 |
1 |
98 |
f |
[DUP]C:202 |
x,y,z |
1_555 |
4 |
1 |
573 |
34.8 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.054 |
15 |
23 |
|
B |
4 |
1 |
8156 |
◊ |
C |
x-y,x,z+5/6 |
2_555 |
7 |
2 |
8123 |
34.8 |
0.4 |
0.725 |
1 |
0 |
0 |
0.000 |
16 |
24 |
|
A |
3 |
2 |
8187 |
x |
A |
x-y,x,z-1/6 |
2_554 |
2 |
2 |
8187 |
21.5 |
-1.2 |
0.100 |
0 |
0 |
0 |
0.000 |
17 |
25 |
|
B |
3 |
2 |
8156 |
x |
B |
x-y,x,z+5/6 |
2_555 |
2 |
2 |
8156 |
12.6 |
-0.4 |
0.317 |
0 |
0 |
0 |
0.000 |
18 |
26 |
|
[MG]B:300 |
1 |
1 |
98 |
◊ |
C |
x,y,z |
1_555 |
3 |
1 |
8123 |
10.6 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.011 |
19 |
27 |
|
A |
2 |
1 |
8187 |
◊ |
B |
x-y,x,z-1/6 |
2_554 |
2 |
2 |
8156 |
7.7 |
0.1 |
0.696 |
0 |
0 |
0 |
0.000 |
20 |
28 |
|
B |
1 |
1 |
8156 |
x |
B |
-x-1,-y-1,z-1/2 |
4_444 |
1 |
1 |
8156 |
4.1 |
0.1 |
0.737 |
0 |
0 |
0 |
0.000 |
21 |
29 |
|
[DUP]C:202 |
1 |
1 |
573 |
◊ |
B |
-x-1,-y-1,z-1/2 |
4_444 |
1 |
1 |
8156 |
2.8 |
-0.1 |
0.481 |
0 |
0 |
0 |
0.000 |
22 |
30 |
|
[DUP]A:200 |
3 |
1 |
560 |
◊ |
A |
x-y,x,z-1/6 |
2_554 |
2 |
1 |
8187 |
2.7 |
-0.1 |
0.533 |
0 |
0 |
0 |
0.000 |
|