| ## |
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 |
265 |
77 |
14833 |
◊ |
C |
x,y,z |
1_555 |
265 |
79 |
14819 |
2799.0 |
-18.1 |
0.311 |
41 |
4 |
0 |
0.410 |
2 |
|
B |
249 |
73 |
14691 |
◊ |
A |
x,y,z |
1_555 |
258 |
78 |
14780 |
2692.1 |
-20.1 |
0.241 |
35 |
2 |
0 |
0.410 |
| Average: |
2745.5 |
-19.1 |
0.276 |
38 |
3 |
0 |
0.410 |
| 2 |
3 |
|
D |
57 |
17 |
14833 |
◊ |
B |
x,y,z |
1_555 |
55 |
17 |
14691 |
511.3 |
-7.0 |
0.198 |
2 |
6 |
0 |
0.087 |
4 |
|
C |
55 |
17 |
14819 |
◊ |
A |
x,y,z |
1_555 |
57 |
17 |
14780 |
507.8 |
-6.9 |
0.187 |
2 |
6 |
0 |
0.087 |
| Average: |
509.5 |
-6.9 |
0.193 |
2 |
6 |
0 |
0.087 |
| 3 |
5 |
|
A |
48 |
11 |
14780 |
◊ |
C |
-x,y-1/2,-z-1 |
2_544 |
38 |
10 |
14819 |
379.3 |
2.7 |
0.869 |
8 |
8 |
0 |
0.000 |
| 4 |
6 |
|
A |
36 |
9 |
14780 |
◊ |
C |
-x,y-1/2,-z |
2_545 |
34 |
8 |
14819 |
301.7 |
2.9 |
0.836 |
9 |
9 |
0 |
0.000 |
| 5 |
7 |
|
D |
36 |
10 |
14833 |
◊ |
C |
x-1,y,z |
1_455 |
34 |
12 |
14819 |
275.8 |
0.0 |
0.693 |
0 |
1 |
0 |
0.000 |
8 |
|
B |
38 |
14 |
14691 |
◊ |
A |
x-1,y,z |
1_455 |
35 |
9 |
14780 |
256.7 |
-1.7 |
0.514 |
1 |
0 |
0 |
0.000 |
| Average: |
266.3 |
-0.8 |
0.603 |
1 |
1 |
0 |
0.000 |
| 6 |
9 |
|
[PEP]A:403 |
10 |
1 |
290 |
f |
A |
x,y,z |
1_555 |
27 |
14 |
14780 |
184.4 |
-3.4 |
0.672 |
10 |
0 |
0 |
0.165 |
10 |
|
[PEP]B:403 |
10 |
1 |
287 |
f |
B |
x,y,z |
1_555 |
28 |
15 |
14691 |
183.2 |
-3.2 |
0.681 |
9 |
0 |
0 |
0.165 |
11 |
|
[PEP]C:403 |
10 |
1 |
288 |
f |
C |
x,y,z |
1_555 |
27 |
14 |
14819 |
181.1 |
-3.6 |
0.685 |
10 |
0 |
0 |
0.165 |
| Average: |
182.9 |
-3.4 |
0.679 |
10 |
0 |
0 |
0.165 |
| 7 |
12 |
|
[PEP]D:403 |
10 |
1 |
286 |
f |
D |
x,y,z |
1_555 |
26 |
13 |
14833 |
180.0 |
-3.7 |
0.686 |
10 |
0 |
0 |
0.090 |
| 8 |
13 |
|
A |
16 |
7 |
14780 |
◊ |
D |
-x-1,y-1/2,-z-1 |
2_444 |
24 |
10 |
14833 |
176.1 |
-0.8 |
0.544 |
1 |
1 |
0 |
0.000 |
| 9 |
14 |
|
D |
14 |
5 |
14833 |
◊ |
B |
x,y,z-1 |
1_554 |
17 |
6 |
14691 |
115.6 |
-0.4 |
0.602 |
2 |
0 |
0 |
0.000 |
| 10 |
15 |
|
B |
11 |
5 |
14691 |
◊ |
C |
-x,y-1/2,-z |
2_545 |
9 |
4 |
14819 |
96.1 |
0.1 |
0.659 |
1 |
1 |
0 |
0.000 |
| 11 |
16 |
|
[SO4]D:402 |
5 |
1 |
187 |
f |
D |
x,y,z |
1_555 |
15 |
7 |
14833 |
95.4 |
-11.4 |
0.926 |
4 |
0 |
0 |
0.146 |
| 12 |
17 |
|
[SO4]C:402 |
5 |
1 |
187 |
f |
C |
x,y,z |
1_555 |
15 |
7 |
14819 |
94.5 |
-11.3 |
0.921 |
4 |
0 |
0 |
0.145 |
| 13 |
18 |
|
[SO4]A:402 |
5 |
1 |
187 |
f |
A |
x,y,z |
1_555 |
14 |
7 |
14780 |
94.3 |
-12.0 |
0.910 |
6 |
0 |
0 |
0.160 |
| 14 |
19 |
|
[SO4]B:402 |
5 |
1 |
187 |
f |
B |
x,y,z |
1_555 |
13 |
7 |
14691 |
91.5 |
-10.9 |
0.921 |
4 |
0 |
0 |
0.138 |
| 15 |
20 |
|
B |
12 |
7 |
14691 |
◊ |
D |
-x-1,y-1/2,-z-1 |
2_444 |
12 |
6 |
14833 |
86.1 |
-0.2 |
0.565 |
0 |
0 |
0 |
0.000 |
| 16 |
21 |
|
D |
6 |
1 |
14833 |
◊ |
A |
x,y,z |
1_555 |
6 |
1 |
14780 |
57.9 |
-0.4 |
0.512 |
0 |
0 |
0 |
0.005 |
22 |
|
C |
6 |
1 |
14819 |
◊ |
B |
x,y,z |
1_555 |
6 |
1 |
14691 |
57.6 |
-0.6 |
0.459 |
0 |
0 |
0 |
0.005 |
| Average: |
57.8 |
-0.5 |
0.486 |
0 |
0 |
0 |
0.005 |
| 17 |
23 |
|
[MN]B:401 |
1 |
1 |
123 |
cf |
B |
x,y,z |
1_555 |
7 |
5 |
14691 |
52.4 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.101 |
24 |
|
[MN]A:401 |
1 |
1 |
123 |
f |
A |
x,y,z |
1_555 |
6 |
5 |
14780 |
52.0 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.101 |
25 |
|
[MN]D:401 |
1 |
1 |
123 |
f |
D |
x,y,z |
1_555 |
6 |
4 |
14833 |
51.6 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.101 |
26 |
|
[MN]C:401 |
1 |
1 |
123 |
f |
C |
x,y,z |
1_555 |
7 |
5 |
14819 |
51.5 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.101 |
| Average: |
51.9 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.101 |
| 18 |
27 |
|
A |
6 |
3 |
14780 |
◊ |
D |
-x,y-1/2,-z-1 |
2_544 |
6 |
4 |
14833 |
30.4 |
0.4 |
0.613 |
0 |
0 |
0 |
0.000 |
| 19 |
28 |
|
[PEP]D:403 |
4 |
1 |
286 |
f |
[MN]D:401 |
x,y,z |
1_555 |
1 |
1 |
123 |
28.6 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.010 |
| 20 |
29 |
|
[PEP]C:403 |
4 |
1 |
288 |
f |
[MN]C:401 |
x,y,z |
1_555 |
1 |
1 |
123 |
28.5 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.046 |
30 |
|
[PEP]B:403 |
5 |
1 |
287 |
f |
[MN]B:401 |
x,y,z |
1_555 |
1 |
1 |
123 |
28.1 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.046 |
31 |
|
[PEP]A:403 |
4 |
1 |
290 |
f |
[MN]A:401 |
x,y,z |
1_555 |
1 |
1 |
123 |
27.8 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.046 |
| Average: |
28.1 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.046 |
| 21 |
32 |
|
B |
3 |
1 |
14691 |
◊ |
D |
-x-1,y-1/2,-z |
2_445 |
1 |
1 |
14833 |
20.9 |
1.0 |
0.885 |
1 |
1 |
0 |
0.000 |
|