## |
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 |
|
C |
112 |
28 |
16253 |
◊ |
A |
x,y,z |
1_555 |
121 |
31 |
16331 |
1117.7 |
-12.3 |
0.063 |
18 |
9 |
0 |
0.471 |
2 |
|
B |
111 |
31 |
16163 |
◊ |
A |
x,y,z |
1_555 |
115 |
28 |
16331 |
1106.7 |
-11.9 |
0.068 |
21 |
9 |
0 |
0.471 |
3 |
|
C |
113 |
31 |
16253 |
◊ |
B |
x,y,z |
1_555 |
113 |
28 |
16163 |
1095.6 |
-12.5 |
0.047 |
18 |
9 |
0 |
0.471 |
Average: |
1106.7 |
-12.2 |
0.060 |
19 |
9 |
0 |
0.471 |
2 |
4 |
|
C |
78 |
24 |
16253 |
◊ |
B |
-y+1,x-y,z-1/3 |
2_654 |
78 |
21 |
16163 |
655.2 |
4.7 |
0.916 |
11 |
2 |
0 |
0.000 |
3 |
5 |
|
B |
48 |
12 |
16163 |
◊ |
A |
x-y,-y,-z+4/3 |
5_556 |
49 |
12 |
16331 |
436.2 |
-7.1 |
0.079 |
2 |
0 |
0 |
0.078 |
6 |
|
C |
50 |
12 |
16253 |
◊ |
C |
x-y,-y,-z+4/3 |
5_556 |
50 |
12 |
16253 |
435.4 |
-7.0 |
0.084 |
2 |
0 |
0 |
0.078 |
Average: |
435.8 |
-7.0 |
0.082 |
2 |
0 |
0 |
0.078 |
4 |
7 |
|
A |
46 |
21 |
16331 |
◊ |
A |
y,x,-z+1 |
4_556 |
45 |
21 |
16331 |
403.7 |
0.3 |
0.701 |
2 |
4 |
0 |
0.000 |
5 |
8 |
|
[TEP]A:402 |
13 |
1 |
320 |
f |
A |
x,y,z |
1_555 |
39 |
19 |
16331 |
230.6 |
5.8 |
0.386 |
0 |
0 |
0 |
0.000 |
9 |
|
[TEP]B:402 |
13 |
1 |
318 |
f |
B |
x,y,z |
1_555 |
38 |
19 |
16163 |
228.2 |
5.7 |
0.369 |
0 |
0 |
0 |
0.000 |
10 |
|
[TEP]C:402 |
13 |
1 |
317 |
f |
C |
x,y,z |
1_555 |
38 |
19 |
16253 |
224.9 |
5.3 |
0.238 |
0 |
0 |
0 |
0.000 |
Average: |
227.9 |
5.6 |
0.331 |
0 |
0 |
0 |
0.000 |
6 |
11 |
|
[FES]C:400 |
4 |
1 |
235 |
f |
C |
x,y,z |
1_555 |
21 |
8 |
16253 |
121.0 |
-15.8 |
0.615 |
2 |
0 |
0 |
0.119 |
7 |
12 |
|
[FES]B:400 |
4 |
1 |
235 |
f |
B |
x,y,z |
1_555 |
18 |
8 |
16163 |
120.6 |
-15.8 |
0.618 |
2 |
0 |
0 |
0.238 |
13 |
|
[FES]A:400 |
4 |
1 |
234 |
f |
A |
x,y,z |
1_555 |
17 |
8 |
16331 |
119.5 |
-15.8 |
0.623 |
2 |
0 |
0 |
0.238 |
Average: |
120.0 |
-15.8 |
0.620 |
2 |
0 |
0 |
0.238 |
8 |
14 |
|
[CO]A:401 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
10 |
8 |
16331 |
60.7 |
-12.3 |
0.000 |
0 |
0 |
0 |
0.265 |
15 |
|
[CO]B:401 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
10 |
8 |
16163 |
60.7 |
-12.7 |
0.000 |
0 |
0 |
0 |
0.265 |
16 |
|
[CO]C:401 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
10 |
8 |
16253 |
60.4 |
-12.2 |
0.000 |
0 |
0 |
0 |
0.265 |
Average: |
60.6 |
-12.4 |
0.000 |
0 |
0 |
0 |
0.265 |
9 |
17 |
|
C |
1 |
1 |
16253 |
x |
C |
-y+1,x-y,z-1/3 |
2_654 |
4 |
1 |
16253 |
28.4 |
0.1 |
0.604 |
0 |
0 |
0 |
0.000 |
18 |
|
A |
3 |
1 |
16331 |
x |
B |
-y+1,x-y,z-1/3 |
2_654 |
1 |
1 |
16163 |
23.4 |
0.0 |
0.517 |
0 |
0 |
0 |
0.000 |
Average: |
25.9 |
0.1 |
0.560 |
0 |
0 |
0 |
0.000 |
10 |
19 |
|
[TEP]A:402 |
3 |
1 |
320 |
f |
[CO]A:401 |
x,y,z |
1_555 |
1 |
1 |
125 |
13.2 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.019 |
20 |
|
[TEP]C:402 |
3 |
1 |
317 |
f |
[CO]C:401 |
x,y,z |
1_555 |
1 |
1 |
125 |
13.1 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.019 |
21 |
|
[TEP]B:402 |
3 |
1 |
318 |
f |
[CO]B:401 |
x,y,z |
1_555 |
1 |
1 |
125 |
13.1 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.019 |
Average: |
13.1 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.019 |
11 |
22 |
|
[FES]B:400 |
1 |
1 |
235 |
◊ |
C |
x,y,z |
1_555 |
3 |
2 |
16253 |
9.1 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.005 |
23 |
|
[FES]A:400 |
1 |
1 |
234 |
◊ |
B |
x,y,z |
1_555 |
3 |
2 |
16163 |
8.8 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.005 |
Average: |
9.0 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.005 |
12 |
24 |
|
[FES]C:400 |
1 |
1 |
235 |
◊ |
A |
x,y,z |
1_555 |
3 |
2 |
16331 |
8.7 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.002 |
13 |
25 |
|
[CO]C:401 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
16163 |
0.3 |
-0.0 |
0.000 |
0 |
0 |
0 |
0.000 |
|