## |
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 |
15252 |
◊ |
A |
x,y,z |
1_555 |
52 |
14 |
14704 |
535.1 |
-0.8 |
0.507 |
8 |
1 |
0 |
0.000 |
2 |
2 |
|
B |
55 |
15 |
14679 |
◊ |
A |
-x+3/2,-y+1,z-1/2 |
2_664 |
57 |
14 |
14704 |
534.2 |
-0.3 |
0.396 |
8 |
7 |
0 |
0.000 |
3 |
|
B |
55 |
14 |
14679 |
◊ |
A |
x,y,z |
1_555 |
48 |
14 |
14704 |
478.6 |
-1.8 |
0.347 |
9 |
5 |
0 |
0.000 |
Average: |
506.4 |
-1.1 |
0.372 |
9 |
6 |
0 |
0.000 |
3 |
4 |
|
[ZL4]B:408 |
40 |
1 |
859 |
f |
B |
x,y,z |
1_555 |
65 |
22 |
14679 |
443.6 |
1.7 |
0.200 |
10 |
0 |
0 |
0.004 |
5 |
|
[ZL4]C:410 |
41 |
1 |
858 |
f |
C |
x,y,z |
1_555 |
62 |
21 |
15252 |
436.5 |
2.7 |
0.259 |
10 |
0 |
0 |
0.004 |
6 |
|
[ZL4]A:411 |
40 |
1 |
858 |
f |
A |
x,y,z |
1_555 |
60 |
23 |
14704 |
425.9 |
1.3 |
0.135 |
11 |
0 |
0 |
0.004 |
Average: |
435.3 |
1.9 |
0.198 |
10 |
0 |
0 |
0.004 |
4 |
7 |
|
A |
47 |
16 |
14704 |
◊ |
B |
x-1/2,-y+1/2,-z |
4_455 |
50 |
17 |
14679 |
409.0 |
1.3 |
0.685 |
3 |
7 |
0 |
0.000 |
5 |
8 |
|
A |
37 |
8 |
14704 |
x |
A |
x-1/2,-y+1/2,-z |
4_455 |
36 |
9 |
14704 |
327.5 |
0.6 |
0.652 |
4 |
3 |
0 |
0.000 |
6 |
9 |
|
C |
44 |
10 |
15252 |
◊ |
B |
x,y,z |
1_555 |
32 |
11 |
14679 |
326.9 |
-1.3 |
0.438 |
4 |
0 |
0 |
0.000 |
7 |
10 |
|
C |
20 |
6 |
15252 |
◊ |
B |
x-1,y,z |
1_455 |
32 |
8 |
14679 |
231.4 |
-1.4 |
0.320 |
1 |
0 |
0 |
0.000 |
8 |
11 |
|
C |
28 |
8 |
15252 |
◊ |
B |
-x+2,y-1/2,-z-1/2 |
3_744 |
24 |
9 |
14679 |
182.4 |
3.0 |
0.852 |
1 |
3 |
0 |
0.000 |
9 |
12 |
|
C |
19 |
6 |
15252 |
◊ |
B |
x-1/2,-y+1/2,-z-1 |
4_454 |
22 |
5 |
14679 |
176.7 |
-1.4 |
0.298 |
1 |
0 |
0 |
0.000 |
10 |
13 |
|
C |
17 |
5 |
15252 |
◊ |
A |
-x+1,y-1/2,-z-1/2 |
3_644 |
15 |
4 |
14704 |
149.8 |
-1.0 |
0.384 |
2 |
1 |
0 |
0.000 |
11 |
14 |
|
[PEG]A:408 |
7 |
1 |
256 |
f |
A |
x,y,z |
1_555 |
19 |
6 |
14704 |
125.8 |
3.5 |
0.374 |
1 |
0 |
0 |
0.000 |
12 |
15 |
|
[PEG]B:407 |
7 |
1 |
258 |
◊ |
B |
x,y,z |
1_555 |
21 |
6 |
14679 |
119.9 |
2.6 |
0.294 |
1 |
0 |
0 |
0.000 |
13 |
16 |
|
[PEG]A:410 |
7 |
1 |
253 |
f |
A |
x,y,z |
1_555 |
21 |
7 |
14704 |
116.9 |
1.5 |
0.176 |
1 |
0 |
0 |
0.000 |
14 |
17 |
|
[SO4]C:403 |
5 |
1 |
187 |
f |
C |
x,y,z |
1_555 |
17 |
7 |
15252 |
112.7 |
-18.5 |
0.711 |
8 |
0 |
0 |
0.022 |
15 |
18 |
|
[PEG]C:408 |
7 |
1 |
258 |
f |
C |
x,y,z |
1_555 |
17 |
6 |
15252 |
106.9 |
4.0 |
0.416 |
1 |
0 |
0 |
0.000 |
16 |
19 |
|
[PEG]A:409 |
7 |
1 |
259 |
f |
A |
x,y,z |
1_555 |
17 |
5 |
14704 |
103.4 |
3.0 |
0.387 |
1 |
0 |
0 |
0.000 |
17 |
20 |
|
[SO4]B:402 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
18 |
6 |
14679 |
100.1 |
-14.2 |
0.759 |
1 |
0 |
0 |
0.019 |
18 |
21 |
|
[PEG]C:409 |
7 |
1 |
253 |
f |
C |
x,y,z |
1_555 |
15 |
5 |
15252 |
94.1 |
1.5 |
0.180 |
1 |
0 |
0 |
0.000 |
19 |
22 |
|
[SO4]A:402 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
15 |
5 |
14704 |
94.1 |
-14.0 |
0.629 |
1 |
0 |
0 |
0.015 |
20 |
23 |
|
C |
11 |
4 |
15252 |
x |
C |
-x+1,y-1/2,-z-1/2 |
3_644 |
12 |
6 |
15252 |
89.4 |
-0.5 |
0.342 |
0 |
0 |
0 |
0.000 |
21 |
24 |
|
[ZL4]C:410 |
7 |
1 |
858 |
◊ |
C |
-x+1,y-1/2,-z-1/2 |
3_644 |
9 |
3 |
15252 |
83.8 |
-0.8 |
0.203 |
0 |
0 |
0 |
0.000 |
22 |
25 |
|
B |
17 |
5 |
14679 |
x |
B |
-x+2,y-1/2,-z-1/2 |
3_744 |
9 |
4 |
14679 |
79.5 |
0.2 |
0.619 |
2 |
0 |
0 |
0.000 |
23 |
26 |
|
[PEG]B:406 |
6 |
1 |
259 |
◊ |
B |
x,y,z |
1_555 |
9 |
3 |
14679 |
78.0 |
2.8 |
0.381 |
2 |
0 |
0 |
0.000 |
24 |
27 |
|
[SO4]C:402 |
5 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
7 |
3 |
15252 |
77.4 |
-7.8 |
0.980 |
3 |
0 |
0 |
0.009 |
25 |
28 |
|
[SO4]C:405 |
5 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
12 |
4 |
15252 |
77.0 |
-10.6 |
0.684 |
2 |
0 |
0 |
0.012 |
26 |
29 |
|
[SO4]A:404 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
13 |
7 |
14704 |
74.0 |
-10.5 |
0.705 |
1 |
0 |
0 |
0.012 |
27 |
30 |
|
[SO4]A:405 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
8 |
4 |
14704 |
67.7 |
-8.1 |
0.901 |
3 |
0 |
0 |
0.010 |
28 |
31 |
|
[SO4]A:403 |
4 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
8 |
2 |
14704 |
67.3 |
-8.1 |
0.890 |
3 |
0 |
0 |
0.010 |
29 |
32 |
|
[SO4]B:403 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
9 |
4 |
14679 |
66.8 |
-7.9 |
0.892 |
3 |
0 |
0 |
0.012 |
30 |
33 |
|
[SO4]C:404 |
5 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
5 |
2 |
15252 |
62.8 |
-6.9 |
0.930 |
4 |
0 |
0 |
0.009 |
31 |
34 |
|
[SO4]C:404 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
7 |
4 |
14679 |
57.0 |
-7.8 |
0.595 |
1 |
0 |
0 |
0.000 |
32 |
35 |
|
C |
6 |
4 |
15252 |
◊ |
A |
x-1/2,-y+1/2,-z |
4_455 |
9 |
3 |
14704 |
56.1 |
1.3 |
0.695 |
0 |
0 |
0 |
0.000 |
33 |
36 |
|
[SO4]A:403 |
4 |
1 |
186 |
◊ |
B |
x,y,z |
1_555 |
9 |
4 |
14679 |
55.4 |
-7.5 |
0.636 |
1 |
0 |
0 |
0.000 |
34 |
37 |
|
[CA]A:407 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
14 |
7 |
14704 |
51.1 |
-12.7 |
0.000 |
0 |
0 |
0 |
0.016 |
38 |
|
[CA]B:405 |
1 |
1 |
85 |
f |
B |
x,y,z |
1_555 |
15 |
8 |
14679 |
50.7 |
-12.6 |
0.000 |
0 |
0 |
0 |
0.016 |
39 |
|
[CA]C:406 |
1 |
1 |
85 |
f |
C |
x,y,z |
1_555 |
13 |
8 |
15252 |
49.9 |
-12.6 |
0.000 |
0 |
0 |
0 |
0.016 |
Average: |
50.6 |
-12.6 |
0.000 |
0 |
0 |
0 |
0.016 |
35 |
40 |
|
[SO4]C:402 |
4 |
1 |
185 |
◊ |
A |
x-1/2,-y+1/2,-z |
4_455 |
4 |
2 |
14704 |
42.4 |
-3.9 |
0.962 |
2 |
0 |
0 |
0.000 |
36 |
41 |
|
[PEG]C:408 |
5 |
1 |
258 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
14679 |
37.0 |
0.9 |
0.229 |
1 |
0 |
0 |
0.000 |
37 |
42 |
|
[ZN]C:401 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
7 |
6 |
15252 |
35.8 |
-25.9 |
0.000 |
0 |
0 |
0 |
0.033 |
43 |
|
[ZN]A:401 |
1 |
1 |
98 |
cf |
A |
x,y,z |
1_555 |
8 |
7 |
14704 |
35.6 |
-26.0 |
0.000 |
0 |
0 |
0 |
0.033 |
44 |
|
[ZN]B:401 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
8 |
6 |
14679 |
35.4 |
-25.9 |
0.000 |
0 |
0 |
0 |
0.033 |
Average: |
35.6 |
-25.9 |
0.000 |
0 |
0 |
0 |
0.033 |
38 |
45 |
|
[ZL4]C:410 |
5 |
1 |
858 |
f |
[ZN]C:401 |
x,y,z |
1_555 |
1 |
1 |
98 |
30.8 |
-12.7 |
0.000 |
0 |
0 |
0 |
0.016 |
46 |
|
[ZL4]B:408 |
5 |
1 |
859 |
f |
[ZN]B:401 |
x,y,z |
1_555 |
1 |
1 |
98 |
30.6 |
-12.8 |
0.000 |
0 |
0 |
0 |
0.016 |
47 |
|
[ZL4]A:411 |
5 |
1 |
858 |
f |
[ZN]A:401 |
x,y,z |
1_555 |
1 |
1 |
98 |
30.5 |
-12.8 |
0.000 |
0 |
0 |
0 |
0.016 |
Average: |
30.6 |
-12.8 |
0.000 |
0 |
0 |
0 |
0.016 |
39 |
48 |
|
[PEG]C:408 |
3 |
1 |
258 |
f |
[PEG]B:406 |
x,y,z |
1_555 |
3 |
1 |
259 |
30.7 |
-0.1 |
0.094 |
1 |
0 |
0 |
0.000 |
40 |
49 |
|
[ZL4]C:410 |
4 |
1 |
858 |
f |
[PEG]C:409 |
x,y,z |
1_555 |
4 |
1 |
253 |
28.6 |
1.0 |
0.230 |
0 |
0 |
0 |
0.000 |
41 |
50 |
|
B |
1 |
1 |
14679 |
◊ |
[PEG]A:409 |
-x+3/2,-y+1,z-1/2 |
2_664 |
2 |
1 |
259 |
19.8 |
-0.1 |
0.142 |
0 |
0 |
0 |
0.000 |
42 |
51 |
|
[PEG]A:409 |
3 |
1 |
259 |
f |
[SO4]A:405 |
x,y,z |
1_555 |
3 |
1 |
184 |
15.4 |
-1.2 |
0.453 |
0 |
0 |
0 |
0.001 |
43 |
52 |
|
A |
3 |
1 |
14704 |
f |
[PEG]B:407 |
x-1/2,-y+1/2,-z |
4_455 |
1 |
1 |
258 |
13.9 |
0.4 |
0.473 |
0 |
0 |
0 |
0.000 |
44 |
53 |
|
C |
1 |
1 |
15252 |
◊ |
[SO4]A:402 |
x-1/2,-y+1/2,-z |
4_455 |
1 |
1 |
185 |
1.7 |
-0.1 |
0.891 |
0 |
0 |
0 |
0.000 |
45 |
54 |
|
[PEG]B:406 |
1 |
1 |
259 |
f |
C |
x,y,z |
1_555 |
1 |
1 |
15252 |
0.6 |
0.0 |
0.390 |
0 |
0 |
0 |
0.000 |
|