## |
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 |
|
A |
54 |
19 |
7796 |
◊ |
C |
-x+1,y-1/2,-z+1 |
2_646 |
46 |
19 |
7785 |
452.7 |
-1.9 |
0.499 |
6 |
0 |
0 |
0.082 |
2 |
2 |
|
B |
49 |
17 |
7805 |
◊ |
A |
x-1,y,z |
1_455 |
42 |
16 |
7796 |
435.9 |
-1.4 |
0.516 |
6 |
0 |
0 |
0.000 |
3 |
|
D |
42 |
16 |
7799 |
◊ |
C |
x,y,z |
1_555 |
40 |
17 |
7785 |
406.2 |
-1.1 |
0.566 |
6 |
0 |
0 |
0.000 |
Average: |
421.0 |
-1.3 |
0.541 |
6 |
0 |
0 |
0.000 |
3 |
4 |
|
C |
47 |
17 |
7785 |
◊ |
A |
x,y,z |
1_555 |
44 |
16 |
7796 |
407.5 |
-3.5 |
0.323 |
2 |
0 |
0 |
0.000 |
5 |
|
B |
45 |
17 |
7805 |
◊ |
D |
x-1,y,z |
1_455 |
46 |
16 |
7799 |
399.0 |
-3.4 |
0.315 |
3 |
0 |
0 |
0.000 |
Average: |
403.2 |
-3.5 |
0.319 |
3 |
0 |
0 |
0.000 |
4 |
6 |
|
B |
44 |
12 |
7805 |
◊ |
D |
-x,y-1/2,-z |
2_545 |
41 |
12 |
7799 |
378.3 |
1.4 |
0.769 |
5 |
0 |
0 |
0.000 |
5 |
7 |
|
[AES]A:204 |
12 |
1 |
339 |
cf |
A |
x,y,z |
1_555 |
28 |
13 |
7796 |
201.5 |
4.1 |
0.335 |
2 |
0 |
0 |
0.000 |
6 |
8 |
|
[JAT]D:204 |
13 |
1 |
360 |
f |
D |
x,y,z |
1_555 |
31 |
13 |
7799 |
177.4 |
-0.5 |
0.628 |
4 |
0 |
0 |
0.008 |
7 |
9 |
|
[JAT]C:203 |
13 |
1 |
352 |
f |
C |
x,y,z |
1_555 |
33 |
15 |
7785 |
177.3 |
-0.7 |
0.621 |
4 |
0 |
0 |
0.043 |
8 |
10 |
|
[JAT]B:203 |
13 |
1 |
357 |
f |
B |
x,y,z |
1_555 |
31 |
15 |
7805 |
174.2 |
-0.7 |
0.586 |
5 |
0 |
0 |
0.028 |
9 |
11 |
|
[AES]C:202 |
13 |
1 |
348 |
f |
C |
x,y,z |
1_555 |
33 |
15 |
7785 |
174.0 |
4.6 |
0.287 |
4 |
0 |
0 |
0.000 |
10 |
12 |
|
B |
25 |
9 |
7805 |
◊ |
C |
-x,y-1/2,-z |
2_545 |
24 |
12 |
7785 |
173.2 |
-1.5 |
0.414 |
1 |
0 |
0 |
0.000 |
11 |
13 |
|
B |
19 |
7 |
7805 |
◊ |
A |
x,y,z |
1_555 |
19 |
10 |
7796 |
171.0 |
-1.2 |
0.326 |
0 |
0 |
0 |
0.000 |
12 |
14 |
|
[AES]B:202 |
13 |
1 |
355 |
f |
B |
x,y,z |
1_555 |
31 |
15 |
7805 |
165.9 |
4.3 |
0.201 |
5 |
0 |
0 |
0.000 |
15 |
|
[AES]D:203 |
13 |
1 |
354 |
f |
D |
x,y,z |
1_555 |
29 |
13 |
7799 |
164.3 |
4.3 |
0.216 |
5 |
0 |
0 |
0.000 |
Average: |
165.1 |
4.3 |
0.208 |
5 |
0 |
0 |
0.000 |
13 |
16 |
|
[PGE]A:207 |
10 |
1 |
338 |
◊ |
A |
x,y,z |
1_555 |
17 |
7 |
7796 |
150.8 |
5.4 |
0.336 |
1 |
0 |
0 |
0.000 |
14 |
17 |
|
[JAT]D:204 |
13 |
1 |
360 |
f |
[AES]D:203 |
x,y,z |
1_555 |
13 |
1 |
354 |
136.1 |
2.4 |
0.043 |
0 |
0 |
0 |
0.000 |
15 |
18 |
|
[JAT]B:203 |
13 |
1 |
357 |
f |
[AES]B:202 |
x,y,z |
1_555 |
13 |
1 |
355 |
136.0 |
3.1 |
0.066 |
0 |
0 |
0 |
0.000 |
19 |
|
[JAT]C:203 |
13 |
1 |
352 |
f |
[AES]C:202 |
x,y,z |
1_555 |
13 |
1 |
348 |
130.4 |
3.2 |
0.081 |
0 |
0 |
0 |
0.000 |
Average: |
133.2 |
3.2 |
0.073 |
0 |
0 |
0 |
0.000 |
16 |
20 |
|
[PEG]B:206 |
7 |
1 |
262 |
◊ |
B |
x,y,z |
1_555 |
16 |
7 |
7805 |
115.8 |
3.5 |
0.387 |
1 |
0 |
0 |
0.000 |
17 |
21 |
|
[PEG]C:206 |
7 |
1 |
262 |
f |
C |
x,y,z |
1_555 |
15 |
6 |
7785 |
110.3 |
2.2 |
0.224 |
4 |
0 |
0 |
0.000 |
18 |
22 |
|
[PEG]B:207 |
5 |
1 |
261 |
f |
B |
x,y,z |
1_555 |
14 |
5 |
7805 |
110.2 |
3.7 |
0.529 |
1 |
0 |
0 |
0.000 |
19 |
23 |
|
D |
10 |
4 |
7799 |
◊ |
C |
x,y,z-1 |
1_554 |
14 |
5 |
7785 |
97.7 |
1.6 |
0.807 |
3 |
0 |
0 |
0.000 |
20 |
24 |
|
B |
11 |
4 |
7805 |
x |
B |
x-1,y,z |
1_455 |
11 |
5 |
7805 |
89.5 |
-1.0 |
0.369 |
0 |
0 |
0 |
0.000 |
21 |
25 |
|
[GOL]A:205 |
6 |
1 |
219 |
f |
A |
x,y,z |
1_555 |
12 |
4 |
7796 |
88.6 |
0.8 |
0.711 |
3 |
0 |
0 |
0.009 |
22 |
26 |
|
A |
10 |
5 |
7796 |
◊ |
D |
-x+1,y-1/2,-z |
2_645 |
15 |
6 |
7799 |
85.9 |
0.8 |
0.746 |
2 |
0 |
0 |
0.000 |
23 |
27 |
|
[GOL]D:205 |
6 |
1 |
220 |
f |
D |
x,y,z |
1_555 |
13 |
5 |
7799 |
82.4 |
-0.4 |
0.524 |
1 |
0 |
0 |
0.003 |
24 |
28 |
|
[SO4]D:201 |
5 |
1 |
184 |
f |
D |
x,y,z |
1_555 |
12 |
5 |
7799 |
77.4 |
-9.8 |
0.891 |
3 |
0 |
0 |
0.038 |
25 |
29 |
|
[SO4]A:201 |
5 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
11 |
5 |
7785 |
77.3 |
-9.9 |
0.894 |
4 |
0 |
0 |
0.207 |
26 |
30 |
|
B |
12 |
5 |
7805 |
◊ |
[SO4]D:201 |
x-1,y,z |
1_455 |
5 |
1 |
184 |
77.2 |
-9.7 |
0.880 |
3 |
0 |
0 |
0.000 |
27 |
31 |
|
[GOL]B:205 |
6 |
1 |
218 |
f |
D |
-x,y-1/2,-z |
2_545 |
10 |
4 |
7799 |
76.7 |
-0.5 |
0.495 |
1 |
0 |
0 |
0.003 |
28 |
32 |
|
[SO4]A:201 |
5 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
12 |
5 |
7796 |
76.0 |
-9.7 |
0.892 |
3 |
0 |
0 |
0.000 |
29 |
33 |
|
[SO4]A:202 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
11 |
4 |
7796 |
75.9 |
-11.2 |
0.707 |
2 |
0 |
0 |
0.216 |
30 |
34 |
|
[PGE]A:207 |
8 |
1 |
338 |
f |
C |
x,y,z |
1_555 |
12 |
4 |
7785 |
75.8 |
0.3 |
0.071 |
0 |
0 |
0 |
0.000 |
31 |
35 |
|
[SO4]C:201 |
5 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
12 |
5 |
7785 |
73.9 |
-9.9 |
0.906 |
5 |
0 |
0 |
0.215 |
32 |
36 |
|
[SO4]B:201 |
5 |
1 |
187 |
f |
D |
-x,y-1/2,-z |
2_545 |
9 |
3 |
7799 |
73.7 |
-10.4 |
0.869 |
2 |
0 |
0 |
0.038 |
33 |
37 |
|
[GOL]A:206 |
5 |
1 |
218 |
f |
A |
x,y,z |
1_555 |
11 |
5 |
7796 |
71.9 |
0.2 |
0.628 |
1 |
0 |
0 |
0.005 |
34 |
38 |
|
[SO4]D:202 |
5 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
6 |
3 |
7799 |
68.4 |
-8.4 |
0.882 |
1 |
0 |
0 |
0.030 |
35 |
39 |
|
[PEG]B:206 |
5 |
1 |
262 |
f |
D |
x-1,y,z |
1_455 |
10 |
3 |
7799 |
67.7 |
1.4 |
0.299 |
0 |
0 |
0 |
0.000 |
36 |
40 |
|
[GOL]B:205 |
4 |
1 |
218 |
◊ |
B |
x,y,z |
1_555 |
9 |
3 |
7805 |
66.1 |
0.4 |
0.619 |
2 |
0 |
0 |
0.000 |
37 |
41 |
|
[GOL]C:205 |
5 |
1 |
219 |
f |
C |
x,y,z |
1_555 |
10 |
4 |
7785 |
65.1 |
0.2 |
0.643 |
1 |
0 |
0 |
0.004 |
38 |
42 |
|
D |
6 |
2 |
7799 |
◊ |
B |
x,y,z |
1_555 |
10 |
5 |
7805 |
64.3 |
1.2 |
0.774 |
1 |
0 |
0 |
0.000 |
39 |
43 |
|
B |
6 |
3 |
7805 |
◊ |
[PEG]C:206 |
-x,y-1/2,-z |
2_545 |
6 |
1 |
262 |
58.3 |
1.9 |
0.273 |
1 |
0 |
0 |
0.000 |
40 |
44 |
|
[CL]B:204 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
9 |
3 |
7805 |
55.9 |
-8.0 |
0.000 |
0 |
0 |
0 |
0.077 |
41 |
45 |
|
[SO4]A:203 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
6 |
3 |
7796 |
55.4 |
-6.8 |
0.697 |
4 |
0 |
0 |
0.153 |
42 |
46 |
|
[SO4]B:208 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
7 |
4 |
7805 |
54.3 |
-7.0 |
0.719 |
2 |
0 |
0 |
0.077 |
43 |
47 |
|
[SO4]D:202 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
8 |
5 |
7805 |
53.7 |
-6.8 |
0.807 |
2 |
0 |
0 |
0.000 |
44 |
48 |
|
[SO4]B:201 |
4 |
1 |
187 |
◊ |
A |
x-1,y,z |
1_455 |
8 |
3 |
7796 |
51.3 |
-6.2 |
0.745 |
1 |
0 |
0 |
0.007 |
45 |
49 |
|
[SO4]A:203 |
4 |
1 |
185 |
◊ |
C |
-x+1,y-1/2,-z+1 |
2_646 |
6 |
4 |
7785 |
48.0 |
-6.3 |
0.567 |
1 |
0 |
0 |
0.121 |
46 |
50 |
|
[GOL]B:205 |
4 |
1 |
218 |
◊ |
C |
-x,y-1/2,-z |
2_545 |
6 |
3 |
7785 |
47.1 |
-0.1 |
0.428 |
1 |
0 |
0 |
0.000 |
47 |
51 |
|
C |
7 |
2 |
7785 |
x |
C |
x-1,y,z |
1_455 |
4 |
2 |
7785 |
42.5 |
0.8 |
0.745 |
1 |
0 |
0 |
0.000 |
48 |
52 |
|
[CL]C:204 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
6 |
3 |
7785 |
41.9 |
-5.3 |
0.000 |
0 |
0 |
0 |
0.094 |
49 |
53 |
|
[SO4]B:201 |
4 |
1 |
187 |
◊ |
B |
x,y,z |
1_555 |
5 |
1 |
7805 |
37.6 |
-4.6 |
0.539 |
0 |
0 |
0 |
0.000 |
50 |
54 |
|
D |
4 |
3 |
7799 |
◊ |
[SO4]C:201 |
x,y,z-1 |
1_554 |
3 |
1 |
185 |
36.2 |
-4.0 |
0.936 |
1 |
0 |
0 |
0.005 |
51 |
55 |
|
A |
4 |
3 |
7796 |
◊ |
D |
-x,y-1/2,-z |
2_545 |
3 |
1 |
7799 |
19.1 |
0.2 |
0.663 |
0 |
0 |
0 |
0.000 |
52 |
56 |
|
[SO4]A:202 |
1 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
3 |
2 |
7805 |
18.5 |
-2.1 |
0.764 |
1 |
0 |
0 |
0.000 |
53 |
57 |
|
A |
2 |
2 |
7796 |
◊ |
[SO4]C:201 |
-x+1,y-1/2,-z+1 |
2_646 |
2 |
1 |
185 |
16.2 |
-1.5 |
0.948 |
0 |
0 |
0 |
0.027 |
54 |
58 |
|
D |
1 |
1 |
7799 |
x |
D |
x-1,y,z |
1_455 |
2 |
1 |
7799 |
14.3 |
-0.4 |
0.206 |
0 |
0 |
0 |
0.000 |
55 |
59 |
|
A |
1 |
1 |
7796 |
x |
A |
x-1,y,z |
1_455 |
1 |
1 |
7796 |
8.7 |
0.2 |
0.812 |
0 |
0 |
0 |
0.000 |
56 |
60 |
|
[SO4]D:202 |
1 |
1 |
185 |
◊ |
D |
x-1,y,z |
1_455 |
1 |
1 |
7799 |
8.3 |
-1.2 |
0.433 |
0 |
0 |
0 |
0.000 |
57 |
61 |
|
[CL]C:204 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
7796 |
7.5 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.000 |
58 |
62 |
|
D |
1 |
1 |
7799 |
◊ |
C |
x-1,y,z-1 |
1_454 |
3 |
1 |
7785 |
5.7 |
-0.1 |
0.383 |
0 |
0 |
0 |
0.000 |
|