| ## |
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 |
527 |
132 |
20381 |
◊ |
A |
x,y,z |
1_555 |
530 |
132 |
20469 |
5027.7 |
-51.2 |
0.047 |
80 |
15 |
0 |
0.725 |
2 |
|
D |
511 |
131 |
20428 |
◊ |
C |
x,y,z |
1_555 |
508 |
130 |
20486 |
4945.0 |
-51.7 |
0.029 |
79 |
12 |
0 |
0.725 |
| Average: |
4986.3 |
-51.5 |
0.038 |
80 |
14 |
0 |
0.725 |
| 2 |
3 |
|
D |
201 |
54 |
20428 |
◊ |
B |
x,y,z |
1_555 |
200 |
55 |
20381 |
2115.0 |
-19.5 |
0.144 |
20 |
8 |
0 |
0.465 |
4 |
|
C |
195 |
54 |
20486 |
◊ |
A |
x,y,z |
1_555 |
191 |
52 |
20469 |
2045.4 |
-17.6 |
0.183 |
21 |
9 |
0 |
0.465 |
| Average: |
2080.2 |
-18.5 |
0.164 |
21 |
9 |
0 |
0.465 |
| 3 |
5 |
|
D |
103 |
38 |
20428 |
◊ |
A |
x,y,z |
1_555 |
104 |
36 |
20469 |
965.0 |
-6.0 |
0.481 |
10 |
2 |
0 |
0.061 |
6 |
|
C |
107 |
37 |
20486 |
◊ |
B |
x,y,z |
1_555 |
105 |
38 |
20381 |
959.9 |
-4.0 |
0.634 |
11 |
2 |
0 |
0.061 |
| Average: |
962.5 |
-5.0 |
0.558 |
11 |
2 |
0 |
0.061 |
| 4 |
7 |
|
A |
28 |
7 |
20469 |
◊ |
C |
-x+3/2,-y,z-1/2 |
2_654 |
25 |
7 |
20486 |
230.3 |
1.1 |
0.796 |
6 |
5 |
0 |
0.000 |
| 5 |
8 |
|
C |
27 |
10 |
20486 |
◊ |
A |
-x+1,y-1/2,-z+1/2 |
3_645 |
33 |
13 |
20469 |
218.2 |
-0.6 |
0.636 |
0 |
0 |
0 |
0.000 |
| 6 |
9 |
|
A |
21 |
7 |
20469 |
◊ |
B |
x-1/2,-y+1/2,-z |
4_455 |
20 |
7 |
20381 |
182.6 |
1.3 |
0.656 |
1 |
1 |
0 |
0.000 |
| 7 |
10 |
|
D |
17 |
5 |
20428 |
x |
D |
x-1/2,-y-1/2,-z |
4_445 |
23 |
7 |
20428 |
168.8 |
1.9 |
0.843 |
1 |
4 |
0 |
0.000 |
| 8 |
11 |
|
[PEG]C:503 |
7 |
1 |
257 |
f |
C |
x,y,z |
1_555 |
25 |
12 |
20486 |
152.8 |
3.7 |
0.445 |
6 |
0 |
0 |
0.000 |
| 9 |
12 |
|
A |
17 |
5 |
20469 |
◊ |
D |
x-1,y,z |
1_455 |
15 |
5 |
20428 |
149.3 |
-1.1 |
0.471 |
1 |
0 |
0 |
0.000 |
| 10 |
13 |
|
A |
15 |
6 |
20469 |
◊ |
B |
x-1,y,z |
1_455 |
16 |
4 |
20381 |
121.0 |
-1.9 |
0.251 |
1 |
0 |
0 |
0.000 |
| 11 |
14 |
|
C |
15 |
5 |
20486 |
◊ |
B |
-x+1,y-1/2,-z+1/2 |
3_645 |
10 |
5 |
20381 |
118.4 |
2.4 |
0.923 |
3 |
2 |
0 |
0.000 |
| 12 |
15 |
|
A |
12 |
4 |
20469 |
x |
A |
x-1/2,-y+1/2,-z |
4_455 |
14 |
5 |
20469 |
115.6 |
0.5 |
0.754 |
1 |
0 |
0 |
0.000 |
| 13 |
16 |
|
[OXD]C:504 |
6 |
1 |
202 |
f |
C |
x,y,z |
1_555 |
25 |
14 |
20486 |
114.3 |
-0.7 |
0.612 |
5 |
0 |
0 |
0.043 |
| 14 |
17 |
|
[OXD]B:503 |
6 |
1 |
203 |
f |
B |
x,y,z |
1_555 |
23 |
13 |
20381 |
113.8 |
-0.4 |
0.678 |
4 |
0 |
0 |
0.034 |
| 15 |
18 |
|
[OXD]D:503 |
6 |
1 |
203 |
f |
D |
x,y,z |
1_555 |
25 |
14 |
20428 |
113.2 |
-0.4 |
0.672 |
5 |
0 |
0 |
0.041 |
| 16 |
19 |
|
[OXD]A:503 |
6 |
1 |
202 |
f |
A |
x,y,z |
1_555 |
25 |
14 |
20469 |
112.6 |
-0.5 |
0.676 |
5 |
0 |
0 |
0.039 |
| 17 |
20 |
|
[PEG]B:502 |
7 |
1 |
252 |
◊ |
B |
x,y,z |
1_555 |
16 |
7 |
20381 |
108.5 |
1.8 |
0.236 |
1 |
0 |
0 |
0.000 |
| 18 |
21 |
|
B |
11 |
4 |
20381 |
◊ |
C |
-x+3/2,-y,z-1/2 |
2_654 |
16 |
7 |
20486 |
108.2 |
0.1 |
0.665 |
2 |
0 |
0 |
0.000 |
| 19 |
22 |
|
D |
8 |
2 |
20428 |
◊ |
A |
-x+1,y-1/2,-z+1/2 |
3_645 |
8 |
3 |
20469 |
79.9 |
0.3 |
0.674 |
1 |
0 |
0 |
0.000 |
| 20 |
23 |
|
[PEG]B:502 |
6 |
1 |
252 |
f |
C |
x,y,z |
1_555 |
13 |
6 |
20486 |
77.1 |
1.2 |
0.209 |
0 |
0 |
0 |
0.000 |
| 21 |
24 |
|
[MG]C:502 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
13 |
7 |
20486 |
54.7 |
-8.0 |
0.000 |
0 |
0 |
0 |
0.235 |
25 |
|
[MG]D:501 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
11 |
7 |
20428 |
54.6 |
-8.0 |
0.000 |
0 |
0 |
0 |
0.235 |
26 |
|
[MG]A:502 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
12 |
7 |
20469 |
54.4 |
-8.1 |
0.000 |
0 |
0 |
0 |
0.235 |
| Average: |
54.6 |
-8.0 |
0.000 |
0 |
0 |
0 |
0.235 |
| 22 |
27 |
|
[MG]B:501 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
15 |
10 |
20381 |
41.5 |
-6.5 |
0.000 |
0 |
0 |
0 |
0.200 |
28 |
|
[MG]D:502 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
12 |
9 |
20428 |
41.1 |
-6.2 |
0.000 |
0 |
0 |
0 |
0.200 |
29 |
|
[MG]A:501 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
12 |
9 |
20469 |
40.6 |
-6.1 |
0.000 |
0 |
0 |
0 |
0.200 |
30 |
|
[MG]C:501 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
12 |
9 |
20486 |
39.9 |
-6.2 |
0.000 |
0 |
0 |
0 |
0.200 |
| Average: |
40.8 |
-6.3 |
0.000 |
0 |
0 |
0 |
0.200 |
| 23 |
31 |
|
[OXD]D:503 |
4 |
1 |
203 |
f |
[MG]D:502 |
x,y,z |
1_555 |
1 |
1 |
98 |
30.7 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.071 |
| 24 |
32 |
|
[OXD]A:503 |
4 |
1 |
202 |
f |
[MG]A:501 |
x,y,z |
1_555 |
1 |
1 |
98 |
30.5 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.066 |
33 |
|
[OXD]B:503 |
4 |
1 |
203 |
f |
[MG]B:501 |
x,y,z |
1_555 |
1 |
1 |
98 |
30.3 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.066 |
| Average: |
30.4 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.066 |
| 25 |
34 |
|
[OXD]C:504 |
4 |
1 |
202 |
f |
[MG]C:501 |
x,y,z |
1_555 |
1 |
1 |
98 |
30.3 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.064 |
| 26 |
35 |
|
C |
5 |
2 |
20486 |
◊ |
B |
x-1,y,z |
1_455 |
3 |
1 |
20381 |
21.2 |
-0.4 |
0.399 |
0 |
0 |
0 |
0.000 |
| 27 |
36 |
|
D |
3 |
2 |
20428 |
◊ |
C |
-x+1,y-1/2,-z+1/2 |
3_645 |
5 |
3 |
20486 |
16.7 |
0.1 |
0.662 |
0 |
0 |
0 |
0.000 |
| 28 |
37 |
|
A |
1 |
1 |
20469 |
◊ |
D |
-x+3/2,-y,z-1/2 |
2_654 |
1 |
1 |
20428 |
2.3 |
0.1 |
0.803 |
0 |
0 |
0 |
0.000 |
| 29 |
38 |
|
C |
1 |
1 |
20486 |
◊ |
D |
x-1/2,-y-1/2,-z |
4_445 |
1 |
1 |
20428 |
1.9 |
0.1 |
0.755 |
0 |
0 |
0 |
0.000 |
|