## |
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 |
|
D |
184 |
51 |
15204 |
◊ |
C |
x,y,z |
1_555 |
179 |
49 |
15280 |
1838.8 |
-22.3 |
0.087 |
14 |
0 |
0 |
1.000 |
2 |
|
B |
185 |
50 |
15117 |
◊ |
A |
x,y,z |
1_555 |
170 |
47 |
15143 |
1824.5 |
-23.2 |
0.079 |
15 |
0 |
0 |
1.000 |
Average: |
1831.6 |
-22.8 |
0.083 |
15 |
0 |
0 |
1.000 |
2 |
3 |
|
C |
74 |
17 |
15280 |
◊ |
C |
-x+1,-y,z |
2_655 |
74 |
17 |
15280 |
713.5 |
-10.3 |
0.132 |
3 |
2 |
0 |
1.000 |
4 |
|
A |
74 |
17 |
15143 |
◊ |
A |
-x+1,-y,z |
2_655 |
74 |
17 |
15143 |
695.7 |
-13.0 |
0.058 |
3 |
2 |
0 |
1.000 |
Average: |
704.6 |
-11.6 |
0.095 |
3 |
2 |
0 |
1.000 |
3 |
5 |
|
D |
85 |
25 |
15204 |
◊ |
B |
x,y,z |
1_555 |
82 |
25 |
15117 |
672.4 |
-6.5 |
0.420 |
2 |
0 |
0 |
0.086 |
4 |
6 |
|
B |
74 |
21 |
15117 |
◊ |
A |
x-1/2,-y+1/2,-z+1 |
4_456 |
61 |
24 |
15143 |
643.0 |
-0.4 |
0.797 |
2 |
1 |
0 |
0.000 |
7 |
|
C |
62 |
22 |
15280 |
◊ |
D |
x-1/2,-y+1/2,-z+2 |
4_457 |
65 |
18 |
15204 |
641.3 |
-1.8 |
0.654 |
2 |
5 |
0 |
0.000 |
Average: |
642.1 |
-1.1 |
0.726 |
2 |
3 |
0 |
0.000 |
5 |
8 |
|
[DSH]D:502 |
23 |
1 |
547 |
f |
D |
x,y,z |
1_555 |
69 |
29 |
15204 |
408.1 |
-1.4 |
0.447 |
1 |
0 |
0 |
0.691 |
9 |
|
[DSH]B:503 |
22 |
1 |
550 |
f |
B |
x,y,z |
1_555 |
65 |
27 |
15117 |
402.2 |
-2.6 |
0.369 |
1 |
0 |
0 |
0.691 |
10 |
|
[DSH]C:502 |
23 |
1 |
548 |
f |
C |
x,y,z |
1_555 |
65 |
27 |
15280 |
401.9 |
-2.3 |
0.378 |
1 |
0 |
0 |
0.691 |
11 |
|
[DSH]A:504 |
22 |
1 |
548 |
f |
A |
x,y,z |
1_555 |
65 |
27 |
15143 |
401.2 |
-2.1 |
0.435 |
1 |
0 |
0 |
0.691 |
Average: |
403.4 |
-2.1 |
0.407 |
1 |
0 |
0 |
0.691 |
6 |
12 |
|
C |
37 |
13 |
15280 |
◊ |
D |
x-1,y,z |
1_455 |
35 |
12 |
15204 |
340.3 |
-1.8 |
0.567 |
1 |
2 |
0 |
0.000 |
13 |
|
B |
30 |
11 |
15117 |
◊ |
A |
x-1,y,z |
1_455 |
26 |
9 |
15143 |
284.5 |
-1.5 |
0.512 |
0 |
2 |
0 |
0.000 |
Average: |
312.4 |
-1.7 |
0.539 |
1 |
2 |
0 |
0.000 |
7 |
14 |
|
B |
36 |
10 |
15117 |
◊ |
A |
-x+1,-y,z |
2_655 |
38 |
11 |
15143 |
307.0 |
-4.5 |
0.247 |
0 |
0 |
0 |
0.121 |
15 |
|
D |
40 |
12 |
15204 |
◊ |
C |
-x+1,-y,z |
2_655 |
37 |
12 |
15280 |
302.1 |
-1.2 |
0.481 |
0 |
0 |
0 |
0.121 |
Average: |
304.6 |
-2.9 |
0.364 |
0 |
0 |
0 |
0.121 |
8 |
16 |
|
D |
26 |
10 |
15204 |
◊ |
C |
-x+1,-y+1,z |
2_665 |
24 |
11 |
15280 |
232.2 |
1.0 |
0.796 |
1 |
2 |
0 |
0.000 |
17 |
|
B |
23 |
9 |
15117 |
◊ |
A |
-x+1,-y+1,z |
2_665 |
21 |
9 |
15143 |
193.3 |
-0.4 |
0.656 |
0 |
1 |
0 |
0.000 |
Average: |
212.7 |
0.3 |
0.726 |
1 |
2 |
0 |
0.000 |
9 |
18 |
|
C |
19 |
6 |
15280 |
◊ |
B |
x,y,z |
1_555 |
18 |
6 |
15117 |
168.7 |
-1.3 |
0.502 |
2 |
0 |
0 |
0.053 |
19 |
|
D |
19 |
6 |
15204 |
◊ |
A |
x,y,z |
1_555 |
18 |
6 |
15143 |
168.6 |
-1.8 |
0.418 |
1 |
0 |
0 |
0.053 |
Average: |
168.6 |
-1.6 |
0.460 |
2 |
0 |
0 |
0.053 |
10 |
20 |
|
[PEG]A:502 |
7 |
1 |
256 |
f |
A |
x,y,z |
1_555 |
28 |
10 |
15143 |
155.5 |
2.5 |
0.357 |
0 |
0 |
0 |
0.000 |
11 |
21 |
|
[PEG]A:503 |
7 |
1 |
259 |
f |
A |
x,y,z |
1_555 |
21 |
4 |
15143 |
115.5 |
2.0 |
0.274 |
0 |
0 |
0 |
0.000 |
12 |
22 |
|
[EDO]B:502 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
21 |
8 |
15117 |
113.6 |
2.4 |
0.447 |
0 |
0 |
0 |
0.000 |
13 |
23 |
|
A |
11 |
6 |
15143 |
◊ |
A |
-x+2,-y+1,z |
2_765 |
11 |
6 |
15143 |
91.0 |
-1.1 |
0.450 |
0 |
0 |
0 |
0.000 |
24 |
|
C |
4 |
2 |
15280 |
◊ |
C |
-x,-y+1,z |
2_565 |
4 |
2 |
15280 |
37.4 |
-1.0 |
0.241 |
0 |
0 |
0 |
0.000 |
Average: |
64.2 |
-1.1 |
0.346 |
0 |
0 |
0 |
0.000 |
14 |
25 |
|
[EDO]D:501 |
4 |
1 |
182 |
f |
D |
x,y,z |
1_555 |
17 |
5 |
15204 |
80.3 |
2.4 |
0.296 |
0 |
0 |
0 |
0.000 |
15 |
26 |
|
[EDO]B:501 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
17 |
4 |
15117 |
79.7 |
1.7 |
0.273 |
0 |
0 |
0 |
0.000 |
16 |
27 |
|
[EDO]C:501 |
4 |
1 |
183 |
f |
C |
x,y,z |
1_555 |
17 |
4 |
15280 |
76.5 |
1.7 |
0.279 |
0 |
0 |
0 |
0.000 |
17 |
28 |
|
[EDO]A:501 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
12 |
5 |
15143 |
62.8 |
1.7 |
0.826 |
0 |
0 |
0 |
0.000 |
18 |
29 |
|
C |
3 |
1 |
15280 |
◊ |
A |
-x+1,-y+1,z |
2_665 |
3 |
1 |
15143 |
22.4 |
0.5 |
0.830 |
0 |
0 |
0 |
0.000 |
|