## |
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 |
57 |
18 |
15239 |
◊ |
A |
x,y,z |
1_555 |
54 |
14 |
14699 |
541.1 |
-0.8 |
0.517 |
8 |
1 |
0 |
0.000 |
2 |
2 |
|
B |
55 |
15 |
14697 |
◊ |
A |
-x+3/2,-y+1,z-1/2 |
2_664 |
59 |
15 |
14699 |
534.2 |
-0.4 |
0.398 |
8 |
7 |
0 |
0.000 |
3 |
|
B |
58 |
14 |
14697 |
◊ |
A |
x,y,z |
1_555 |
49 |
15 |
14699 |
503.4 |
0.1 |
0.391 |
11 |
7 |
0 |
0.000 |
Average: |
518.8 |
-0.2 |
0.394 |
10 |
7 |
0 |
0.000 |
3 |
4 |
|
A |
48 |
15 |
14699 |
◊ |
B |
x-1/2,-y+1/2,-z |
4_455 |
51 |
17 |
14697 |
404.4 |
1.4 |
0.694 |
3 |
7 |
0 |
0.000 |
4 |
5 |
|
[ZLV]B:410 |
32 |
1 |
731 |
f |
B |
x,y,z |
1_555 |
58 |
22 |
14697 |
390.1 |
0.5 |
0.121 |
11 |
0 |
0 |
0.004 |
6 |
|
[ZLV]C:410 |
31 |
1 |
734 |
f |
C |
x,y,z |
1_555 |
56 |
21 |
15239 |
383.1 |
1.3 |
0.186 |
10 |
0 |
0 |
0.004 |
7 |
|
[ZLV]A:412 |
31 |
1 |
729 |
f |
A |
x,y,z |
1_555 |
54 |
22 |
14699 |
378.5 |
0.6 |
0.114 |
10 |
0 |
0 |
0.004 |
Average: |
383.9 |
0.8 |
0.140 |
10 |
0 |
0 |
0.004 |
5 |
8 |
|
A |
39 |
10 |
14699 |
x |
A |
x-1/2,-y+1/2,-z |
4_455 |
36 |
9 |
14699 |
333.6 |
0.4 |
0.640 |
4 |
3 |
0 |
0.000 |
6 |
9 |
|
C |
46 |
11 |
15239 |
◊ |
B |
x,y,z |
1_555 |
33 |
11 |
14697 |
328.1 |
-1.2 |
0.453 |
5 |
0 |
0 |
0.000 |
7 |
10 |
|
C |
20 |
6 |
15239 |
◊ |
B |
x-1,y,z |
1_455 |
32 |
8 |
14697 |
237.7 |
-1.1 |
0.338 |
1 |
1 |
0 |
0.000 |
8 |
11 |
|
C |
28 |
8 |
15239 |
◊ |
B |
-x+2,y-1/2,-z-1/2 |
3_744 |
24 |
9 |
14697 |
188.7 |
3.2 |
0.862 |
1 |
3 |
0 |
0.000 |
9 |
12 |
|
C |
19 |
6 |
15239 |
◊ |
B |
x-1/2,-y+1/2,-z-1 |
4_454 |
23 |
6 |
14697 |
173.8 |
-1.4 |
0.314 |
1 |
0 |
0 |
0.000 |
10 |
13 |
|
C |
17 |
5 |
15239 |
◊ |
A |
-x+1,y-1/2,-z-1/2 |
3_644 |
15 |
4 |
14699 |
146.8 |
-1.9 |
0.206 |
1 |
0 |
0 |
0.000 |
11 |
14 |
|
[PEG]A:409 |
7 |
1 |
257 |
f |
A |
x,y,z |
1_555 |
19 |
6 |
14699 |
126.3 |
3.5 |
0.391 |
1 |
0 |
0 |
0.000 |
12 |
15 |
|
[PEG]A:411 |
7 |
1 |
255 |
f |
A |
x,y,z |
1_555 |
21 |
7 |
14699 |
117.0 |
1.7 |
0.202 |
1 |
0 |
0 |
0.000 |
13 |
16 |
|
[PEG]B:409 |
7 |
1 |
256 |
◊ |
B |
x,y,z |
1_555 |
19 |
6 |
14697 |
116.6 |
2.1 |
0.262 |
0 |
0 |
0 |
0.000 |
14 |
17 |
|
[SO4]C:403 |
5 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
17 |
7 |
15239 |
111.0 |
-18.3 |
0.711 |
8 |
0 |
0 |
0.021 |
15 |
18 |
|
[PEG]C:408 |
6 |
1 |
256 |
f |
C |
x,y,z |
1_555 |
17 |
6 |
15239 |
104.8 |
3.9 |
0.501 |
2 |
0 |
0 |
0.000 |
16 |
19 |
|
[PEG]A:410 |
7 |
1 |
256 |
f |
A |
x,y,z |
1_555 |
16 |
5 |
14699 |
103.6 |
3.1 |
0.356 |
1 |
0 |
0 |
0.000 |
17 |
20 |
|
[SO4]B:402 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
17 |
6 |
14697 |
99.5 |
-14.2 |
0.742 |
2 |
0 |
0 |
0.014 |
18 |
21 |
|
[PEG]C:409 |
7 |
1 |
254 |
f |
C |
x,y,z |
1_555 |
18 |
5 |
15239 |
99.3 |
1.5 |
0.185 |
1 |
0 |
0 |
0.000 |
19 |
22 |
|
C |
11 |
4 |
15239 |
x |
C |
-x+1,y-1/2,-z-1/2 |
3_644 |
11 |
5 |
15239 |
98.3 |
0.2 |
0.562 |
1 |
3 |
0 |
0.000 |
20 |
23 |
|
[SO4]A:402 |
5 |
1 |
187 |
f |
A |
x,y,z |
1_555 |
16 |
5 |
14699 |
94.3 |
-13.9 |
0.614 |
1 |
0 |
0 |
0.013 |
21 |
24 |
|
[SO4]B:404 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
14 |
7 |
14697 |
94.1 |
-12.2 |
0.887 |
3 |
0 |
0 |
0.013 |
22 |
25 |
|
B |
16 |
4 |
14697 |
x |
B |
-x+2,y-1/2,-z-1/2 |
3_744 |
9 |
3 |
14697 |
91.4 |
0.4 |
0.660 |
2 |
0 |
0 |
0.000 |
23 |
26 |
|
[SO4]A:406 |
5 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
10 |
5 |
14699 |
82.2 |
-11.8 |
0.867 |
4 |
0 |
0 |
0.013 |
24 |
27 |
|
[SO4]B:405 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
10 |
4 |
14697 |
79.5 |
-10.9 |
0.837 |
3 |
0 |
0 |
0.012 |
25 |
28 |
|
[SO4]C:405 |
5 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
12 |
4 |
15239 |
78.3 |
-10.9 |
0.685 |
4 |
0 |
0 |
0.013 |
26 |
29 |
|
[PEG]B:408 |
6 |
1 |
259 |
◊ |
B |
x,y,z |
1_555 |
9 |
3 |
14697 |
78.3 |
2.8 |
0.355 |
2 |
0 |
0 |
0.000 |
27 |
30 |
|
[SO4]C:402 |
5 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
8 |
3 |
15239 |
74.2 |
-8.1 |
0.964 |
3 |
0 |
0 |
0.009 |
28 |
31 |
|
[SO4]A:404 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
12 |
6 |
14699 |
71.6 |
-10.3 |
0.747 |
1 |
0 |
0 |
0.010 |
29 |
32 |
|
[SO4]A:403 |
5 |
1 |
187 |
f |
A |
x,y,z |
1_555 |
6 |
3 |
14699 |
70.5 |
-8.2 |
0.898 |
2 |
0 |
0 |
0.009 |
30 |
33 |
|
[SO4]A:405 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
9 |
4 |
14699 |
68.2 |
-8.3 |
0.899 |
3 |
0 |
0 |
0.009 |
31 |
34 |
|
[SO4]B:403 |
4 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
9 |
4 |
14697 |
66.7 |
-7.9 |
0.891 |
3 |
0 |
0 |
0.009 |
32 |
35 |
|
[SO4]C:404 |
4 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
5 |
2 |
15239 |
62.3 |
-6.9 |
0.923 |
4 |
0 |
0 |
0.009 |
33 |
36 |
|
[SO4]C:404 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
7 |
4 |
14697 |
59.3 |
-8.1 |
0.586 |
1 |
0 |
0 |
0.000 |
34 |
37 |
|
[SO4]A:403 |
4 |
1 |
187 |
◊ |
B |
x,y,z |
1_555 |
9 |
4 |
14697 |
56.8 |
-7.8 |
0.637 |
1 |
0 |
0 |
0.000 |
35 |
38 |
|
C |
5 |
3 |
15239 |
◊ |
A |
x-1/2,-y+1/2,-z |
4_455 |
7 |
2 |
14699 |
51.3 |
1.2 |
0.672 |
0 |
0 |
0 |
0.000 |
36 |
39 |
|
[CA]A:408 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
14 |
7 |
14699 |
51.0 |
-12.7 |
0.000 |
0 |
0 |
0 |
0.012 |
40 |
|
[CA]B:407 |
1 |
1 |
85 |
f |
B |
x,y,z |
1_555 |
15 |
8 |
14697 |
50.2 |
-12.6 |
0.000 |
0 |
0 |
0 |
0.012 |
41 |
|
[CA]C:406 |
1 |
1 |
85 |
f |
C |
x,y,z |
1_555 |
13 |
8 |
15239 |
49.7 |
-12.6 |
0.000 |
0 |
0 |
0 |
0.012 |
Average: |
50.3 |
-12.6 |
0.000 |
0 |
0 |
0 |
0.012 |
37 |
42 |
|
A |
6 |
3 |
14699 |
◊ |
[SO4]B:405 |
x-1/2,-y+1/2,-z |
4_455 |
4 |
1 |
185 |
39.6 |
-5.3 |
0.505 |
0 |
0 |
0 |
0.000 |
38 |
43 |
|
[SO4]C:402 |
4 |
1 |
186 |
◊ |
A |
x-1/2,-y+1/2,-z |
4_455 |
5 |
2 |
14699 |
38.8 |
-3.5 |
0.951 |
2 |
0 |
0 |
0.000 |
39 |
44 |
|
[PEG]C:408 |
5 |
1 |
256 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
14697 |
37.1 |
1.0 |
0.267 |
1 |
0 |
0 |
0.000 |
40 |
45 |
|
[ZN]B:401 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
9 |
7 |
14697 |
35.9 |
-26.2 |
0.000 |
0 |
0 |
0 |
0.026 |
46 |
|
[ZN]C:401 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
9 |
7 |
15239 |
35.8 |
-26.2 |
0.000 |
0 |
0 |
0 |
0.026 |
47 |
|
[ZN]A:401 |
1 |
1 |
98 |
cf |
A |
x,y,z |
1_555 |
8 |
7 |
14699 |
35.6 |
-26.1 |
0.000 |
0 |
0 |
0 |
0.026 |
Average: |
35.8 |
-26.1 |
0.000 |
0 |
0 |
0 |
0.026 |
41 |
48 |
|
[PEG]C:408 |
3 |
1 |
256 |
f |
[PEG]B:408 |
x,y,z |
1_555 |
3 |
1 |
259 |
31.8 |
0.1 |
0.100 |
1 |
0 |
0 |
0.000 |
42 |
49 |
|
[ZLV]C:410 |
3 |
1 |
734 |
f |
[PEG]C:409 |
x,y,z |
1_555 |
4 |
1 |
254 |
31.2 |
2.0 |
0.312 |
0 |
0 |
0 |
0.000 |
43 |
50 |
|
[ZLV]A:412 |
5 |
1 |
729 |
f |
[ZN]A:401 |
x,y,z |
1_555 |
1 |
1 |
98 |
30.6 |
-12.7 |
0.000 |
0 |
0 |
0 |
0.012 |
51 |
|
[ZLV]B:410 |
5 |
1 |
731 |
f |
[ZN]B:401 |
x,y,z |
1_555 |
1 |
1 |
98 |
30.2 |
-12.6 |
0.000 |
0 |
0 |
0 |
0.012 |
52 |
|
[ZLV]C:410 |
5 |
1 |
734 |
f |
[ZN]C:401 |
x,y,z |
1_555 |
1 |
1 |
98 |
30.2 |
-12.6 |
0.000 |
0 |
0 |
0 |
0.012 |
Average: |
30.3 |
-12.6 |
0.000 |
0 |
0 |
0 |
0.012 |
44 |
53 |
|
[ZLV]C:410 |
4 |
1 |
734 |
◊ |
C |
-x+1,y-1/2,-z-1/2 |
3_644 |
3 |
1 |
15239 |
30.1 |
0.2 |
0.413 |
0 |
0 |
0 |
0.000 |
45 |
54 |
|
B |
1 |
1 |
14697 |
◊ |
[PEG]A:410 |
-x+3/2,-y+1,z-1/2 |
2_664 |
3 |
1 |
256 |
20.3 |
-0.1 |
0.094 |
0 |
0 |
0 |
0.000 |
46 |
55 |
|
[PEG]A:410 |
3 |
1 |
256 |
f |
[SO4]A:405 |
x,y,z |
1_555 |
3 |
1 |
185 |
16.7 |
-1.4 |
0.353 |
0 |
0 |
0 |
0.001 |
47 |
56 |
|
A |
3 |
1 |
14699 |
f |
[PEG]B:409 |
x-1/2,-y+1/2,-z |
4_455 |
2 |
1 |
256 |
7.2 |
0.3 |
0.414 |
0 |
0 |
0 |
0.000 |
48 |
57 |
|
[PEG]B:408 |
1 |
1 |
259 |
f |
C |
x,y,z |
1_555 |
1 |
1 |
15239 |
0.6 |
0.0 |
0.391 |
0 |
0 |
0 |
0.000 |
|