## |
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 |
234 |
67 |
16440 |
◊ |
A |
x,y,z |
1_555 |
238 |
67 |
16413 |
2329.3 |
-26.0 |
0.017 |
36 |
8 |
0 |
0.448 |
2 |
|
D |
231 |
66 |
16258 |
◊ |
C |
x,y,z |
1_555 |
228 |
65 |
16330 |
2301.2 |
-27.0 |
0.014 |
34 |
8 |
0 |
0.448 |
Average: |
2315.3 |
-26.5 |
0.015 |
35 |
8 |
0 |
0.448 |
2 |
3 |
|
A |
41 |
15 |
16413 |
◊ |
D |
-x+1/2,-y+1,z-1/2 |
2_564 |
35 |
12 |
16258 |
355.7 |
2.5 |
0.816 |
7 |
1 |
0 |
0.000 |
4 |
|
B |
36 |
13 |
16440 |
◊ |
C |
-x+3/2,-y+1,z-1/2 |
2_664 |
36 |
15 |
16330 |
341.0 |
1.9 |
0.785 |
7 |
2 |
0 |
0.000 |
Average: |
348.4 |
2.2 |
0.801 |
7 |
2 |
0 |
0.000 |
3 |
5 |
|
D |
32 |
9 |
16258 |
◊ |
B |
-x+1,y-1/2,-z+1/2 |
3_645 |
39 |
9 |
16440 |
276.6 |
-2.0 |
0.418 |
2 |
0 |
0 |
0.000 |
4 |
6 |
|
[PMP]C:501 |
16 |
1 |
394 |
◊ |
C |
x,y,z |
1_555 |
39 |
17 |
16330 |
243.2 |
0.6 |
0.605 |
8 |
0 |
0 |
0.051 |
7 |
|
[PMP]A:501 |
16 |
1 |
398 |
◊ |
A |
x,y,z |
1_555 |
39 |
17 |
16413 |
231.9 |
0.5 |
0.575 |
6 |
0 |
0 |
0.051 |
8 |
|
[PMP]B:501 |
16 |
1 |
397 |
◊ |
B |
x,y,z |
1_555 |
38 |
17 |
16440 |
230.5 |
0.5 |
0.589 |
5 |
0 |
0 |
0.051 |
9 |
|
[PMP]D:501 |
16 |
1 |
394 |
◊ |
D |
x,y,z |
1_555 |
37 |
16 |
16258 |
228.8 |
0.2 |
0.560 |
5 |
0 |
0 |
0.051 |
Average: |
233.6 |
0.4 |
0.582 |
6 |
0 |
0 |
0.051 |
5 |
10 |
|
D |
28 |
8 |
16258 |
◊ |
A |
x,y,z |
1_555 |
25 |
6 |
16413 |
229.5 |
-2.4 |
0.317 |
2 |
0 |
0 |
0.000 |
11 |
|
C |
24 |
6 |
16330 |
◊ |
B |
x,y,z |
1_555 |
27 |
7 |
16440 |
219.4 |
-2.0 |
0.372 |
2 |
0 |
0 |
0.000 |
Average: |
224.4 |
-2.2 |
0.345 |
2 |
0 |
0 |
0.000 |
6 |
12 |
|
B |
29 |
11 |
16440 |
◊ |
D |
-x+1,y-1/2,-z+1/2 |
3_645 |
27 |
7 |
16258 |
222.1 |
-0.1 |
0.603 |
1 |
0 |
0 |
0.000 |
13 |
|
A |
16 |
5 |
16413 |
◊ |
C |
-x+1,y-1/2,-z+1/2 |
3_645 |
13 |
4 |
16330 |
114.3 |
-0.9 |
0.420 |
1 |
0 |
0 |
0.000 |
Average: |
168.2 |
-0.5 |
0.512 |
1 |
0 |
0 |
0.000 |
7 |
14 |
|
C |
17 |
6 |
16330 |
◊ |
A |
-x+1,y-1/2,-z+1/2 |
3_645 |
20 |
8 |
16413 |
164.2 |
0.7 |
0.716 |
2 |
0 |
0 |
0.000 |
8 |
15 |
|
D |
13 |
5 |
16258 |
◊ |
B |
x,y,z |
1_555 |
14 |
5 |
16440 |
147.9 |
-1.5 |
0.335 |
0 |
0 |
0 |
0.000 |
9 |
16 |
|
[PEG]C:504 |
7 |
1 |
263 |
f |
C |
x,y,z |
1_555 |
20 |
11 |
16330 |
131.1 |
3.4 |
0.393 |
3 |
0 |
0 |
0.000 |
10 |
17 |
|
[PEG]A:505 |
7 |
1 |
260 |
f |
A |
x,y,z |
1_555 |
20 |
11 |
16413 |
128.6 |
3.9 |
0.408 |
2 |
0 |
0 |
0.000 |
11 |
18 |
|
[SO4]A:504 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
13 |
6 |
16413 |
99.4 |
-14.0 |
0.774 |
2 |
0 |
0 |
0.112 |
12 |
19 |
|
[MPD]C:502 |
7 |
1 |
278 |
◊ |
D |
x,y,z |
1_555 |
11 |
6 |
16258 |
92.1 |
-4.6 |
0.795 |
0 |
0 |
0 |
0.047 |
13 |
20 |
|
D |
11 |
4 |
16258 |
◊ |
C |
x-1/2,-y+1/2,-z+1 |
4_456 |
8 |
4 |
16330 |
89.3 |
0.9 |
0.734 |
1 |
1 |
0 |
0.000 |
14 |
21 |
|
[SO4]C:503 |
5 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
14 |
5 |
16330 |
87.5 |
-11.0 |
0.872 |
2 |
0 |
0 |
0.123 |
15 |
22 |
|
[MPD]C:502 |
6 |
1 |
278 |
f |
C |
x,y,z |
1_555 |
13 |
5 |
16330 |
87.3 |
-5.1 |
0.764 |
1 |
0 |
0 |
0.058 |
16 |
23 |
|
[SO4]A:502 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
13 |
5 |
16413 |
86.8 |
-11.3 |
0.845 |
2 |
0 |
0 |
0.091 |
17 |
24 |
|
[SO4]B:502 |
5 |
1 |
187 |
f |
B |
x,y,z |
1_555 |
14 |
5 |
16440 |
86.7 |
-11.2 |
0.823 |
2 |
0 |
0 |
0.091 |
18 |
25 |
|
[SO4]D:502 |
5 |
1 |
187 |
f |
D |
x,y,z |
1_555 |
15 |
5 |
16258 |
84.6 |
-11.6 |
0.689 |
1 |
0 |
0 |
0.125 |
19 |
26 |
|
C |
11 |
2 |
16330 |
◊ |
A |
x,y,z |
1_555 |
12 |
3 |
16413 |
78.1 |
-2.1 |
0.181 |
0 |
0 |
0 |
0.000 |
20 |
27 |
|
[SO4]A:503 |
5 |
1 |
187 |
f |
A |
x,y,z |
1_555 |
10 |
5 |
16413 |
67.1 |
-9.5 |
0.784 |
3 |
0 |
0 |
0.081 |
21 |
28 |
|
[SO4]B:503 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
9 |
5 |
16440 |
65.4 |
-9.3 |
0.776 |
3 |
0 |
0 |
0.080 |
22 |
29 |
|
[PMP]C:501 |
7 |
1 |
394 |
f |
D |
x,y,z |
1_555 |
8 |
3 |
16258 |
62.7 |
-2.7 |
0.355 |
3 |
0 |
0 |
0.082 |
30 |
|
[PMP]B:501 |
7 |
1 |
397 |
f |
A |
x,y,z |
1_555 |
9 |
4 |
16413 |
59.7 |
-2.6 |
0.344 |
3 |
0 |
0 |
0.082 |
31 |
|
[PMP]A:501 |
7 |
1 |
398 |
f |
B |
x,y,z |
1_555 |
8 |
3 |
16440 |
59.3 |
-2.6 |
0.327 |
3 |
0 |
0 |
0.082 |
32 |
|
[PMP]D:501 |
8 |
1 |
394 |
f |
C |
x,y,z |
1_555 |
10 |
4 |
16330 |
59.0 |
-2.6 |
0.355 |
3 |
0 |
0 |
0.082 |
Average: |
60.2 |
-2.6 |
0.345 |
3 |
0 |
0 |
0.082 |
23 |
33 |
|
[NA]B:504 |
1 |
1 |
125 |
f |
C |
-x+3/2,-y+1,z-1/2 |
2_664 |
9 |
4 |
16330 |
53.1 |
-6.0 |
0.000 |
0 |
0 |
0 |
0.062 |
24 |
34 |
|
[SO4]B:503 |
4 |
1 |
186 |
◊ |
A |
x,y,z |
1_555 |
5 |
4 |
16413 |
50.0 |
-6.1 |
0.573 |
0 |
0 |
0 |
0.046 |
25 |
35 |
|
[SO4]A:503 |
5 |
1 |
187 |
◊ |
B |
x,y,z |
1_555 |
5 |
4 |
16440 |
48.4 |
-5.7 |
0.560 |
0 |
0 |
0 |
0.043 |
26 |
36 |
|
[MPD]C:502 |
3 |
1 |
278 |
f |
[PMP]D:501 |
x,y,z |
1_555 |
4 |
1 |
394 |
33.7 |
-1.9 |
0.708 |
1 |
0 |
0 |
0.025 |
27 |
37 |
|
[SO4]B:503 |
4 |
1 |
186 |
f |
[PMP]A:501 |
x,y,z |
1_555 |
3 |
1 |
398 |
33.1 |
-3.8 |
0.701 |
1 |
0 |
0 |
0.032 |
28 |
38 |
|
[SO4]A:503 |
3 |
1 |
187 |
f |
[PMP]B:501 |
x,y,z |
1_555 |
3 |
1 |
397 |
32.5 |
-4.0 |
0.696 |
1 |
0 |
0 |
0.034 |
29 |
39 |
|
[NA]B:504 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
3 |
2 |
16440 |
27.7 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.000 |
30 |
40 |
|
B |
4 |
2 |
16440 |
◊ |
A |
-x+1,y-1/2,-z+1/2 |
3_645 |
6 |
4 |
16413 |
24.7 |
0.6 |
0.764 |
0 |
0 |
0 |
0.000 |
|