## |
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 |
|
L |
187 |
51 |
11606 |
◊ |
H |
x,y,z |
1_555 |
170 |
49 |
11532 |
1667.8 |
-24.4 |
0.065 |
14 |
0 |
0 |
0.721 |
2 |
|
M |
181 |
50 |
11560 |
◊ |
I |
x,y,z |
1_555 |
171 |
51 |
11817 |
1644.0 |
-24.3 |
0.050 |
13 |
0 |
0 |
0.721 |
Average: |
1655.9 |
-24.3 |
0.058 |
14 |
0 |
0 |
0.721 |
2 |
3 |
|
L |
74 |
18 |
11606 |
◊ |
A |
-x,y-1/2,-z-1/2 |
3_544 |
68 |
20 |
6492 |
651.2 |
-7.3 |
0.256 |
4 |
0 |
0 |
0.139 |
4 |
|
M |
66 |
17 |
11560 |
◊ |
B |
-x-1,y-1/2,-z-1/2 |
3_444 |
70 |
19 |
6568 |
634.6 |
-6.1 |
0.358 |
5 |
0 |
0 |
0.139 |
Average: |
642.9 |
-6.7 |
0.307 |
5 |
0 |
0 |
0.139 |
3 |
5 |
|
M |
71 |
23 |
11560 |
◊ |
H |
x-1,y,z |
1_455 |
62 |
24 |
11532 |
625.0 |
-4.1 |
0.509 |
5 |
0 |
0 |
0.056 |
4 |
6 |
|
I |
64 |
17 |
11817 |
◊ |
B |
x,y,z |
1_555 |
65 |
19 |
6568 |
614.1 |
-1.4 |
0.771 |
15 |
1 |
0 |
0.132 |
7 |
|
H |
66 |
18 |
11532 |
◊ |
A |
x,y,z |
1_555 |
61 |
19 |
6492 |
606.7 |
-1.3 |
0.711 |
16 |
1 |
0 |
0.132 |
Average: |
610.4 |
-1.4 |
0.741 |
16 |
1 |
0 |
0.132 |
5 |
8 |
|
I |
51 |
16 |
11817 |
◊ |
H |
x-1/2,-y-1/2,-z |
4_445 |
53 |
15 |
11532 |
542.8 |
-8.0 |
0.228 |
5 |
0 |
0 |
0.059 |
6 |
9 |
|
M |
49 |
14 |
11560 |
◊ |
A |
x-1,y,z |
1_455 |
45 |
10 |
6492 |
425.9 |
-1.5 |
0.564 |
5 |
2 |
0 |
0.040 |
7 |
10 |
|
M |
23 |
5 |
11560 |
◊ |
B |
x,y,z |
1_555 |
23 |
6 |
6568 |
195.2 |
0.9 |
0.737 |
5 |
0 |
0 |
0.022 |
11 |
|
L |
24 |
5 |
11606 |
◊ |
A |
x,y,z |
1_555 |
22 |
5 |
6492 |
185.8 |
0.8 |
0.714 |
5 |
0 |
0 |
0.022 |
Average: |
190.5 |
0.8 |
0.726 |
5 |
0 |
0 |
0.022 |
8 |
12 |
|
M |
21 |
7 |
11560 |
◊ |
H |
x-1/2,-y-1/2,-z |
4_445 |
14 |
6 |
11532 |
162.2 |
-2.2 |
0.334 |
2 |
0 |
0 |
0.035 |
13 |
|
I |
16 |
6 |
11817 |
◊ |
L |
x-1/2,-y-1/2,-z |
4_445 |
21 |
7 |
11606 |
161.2 |
-2.2 |
0.357 |
2 |
0 |
0 |
0.035 |
Average: |
161.7 |
-2.2 |
0.345 |
2 |
0 |
0 |
0.035 |
9 |
14 |
|
[GOL]A:337 |
5 |
1 |
221 |
f |
A |
x,y,z |
1_555 |
22 |
9 |
6492 |
118.7 |
-0.9 |
0.538 |
3 |
0 |
0 |
0.034 |
10 |
15 |
|
[SO4]M:218 |
5 |
1 |
186 |
f |
M |
x,y,z |
1_555 |
10 |
6 |
11560 |
85.9 |
-12.4 |
0.616 |
1 |
0 |
0 |
0.130 |
11 |
16 |
|
[SO4]H:237 |
5 |
1 |
186 |
f |
H |
x,y,z |
1_555 |
13 |
6 |
11532 |
85.1 |
-11.0 |
0.909 |
2 |
0 |
0 |
0.279 |
12 |
17 |
|
M |
15 |
6 |
11560 |
f |
[SO4]H:238 |
x-1,y,z |
1_455 |
5 |
1 |
186 |
83.2 |
-10.5 |
0.776 |
1 |
0 |
0 |
0.111 |
13 |
18 |
|
I |
13 |
6 |
11817 |
◊ |
A |
x,y,z |
1_555 |
8 |
4 |
6492 |
77.7 |
-0.4 |
0.598 |
0 |
0 |
0 |
0.000 |
14 |
19 |
|
[SO4]I:237 |
4 |
1 |
186 |
f |
I |
x,y,z |
1_555 |
12 |
6 |
11817 |
73.5 |
-9.7 |
0.885 |
2 |
0 |
0 |
0.100 |
15 |
20 |
|
[SO4]A:338 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
12 |
6 |
6492 |
72.6 |
-10.1 |
0.714 |
1 |
0 |
0 |
0.162 |
16 |
21 |
|
[SO4]B:337 |
4 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
12 |
6 |
6568 |
71.2 |
-10.4 |
0.745 |
2 |
0 |
0 |
0.091 |
17 |
22 |
|
[SO4]M:216 |
5 |
1 |
184 |
f |
M |
x,y,z |
1_555 |
11 |
5 |
11560 |
70.1 |
-9.9 |
0.752 |
1 |
0 |
0 |
0.105 |
18 |
23 |
|
[SO4]M:220 |
5 |
1 |
185 |
f |
M |
x,y,z |
1_555 |
8 |
4 |
11560 |
67.5 |
-9.2 |
0.771 |
2 |
0 |
0 |
0.102 |
19 |
24 |
|
[SO4]M:219 |
4 |
1 |
186 |
f |
M |
x,y,z |
1_555 |
10 |
5 |
11560 |
64.5 |
-9.3 |
0.666 |
2 |
0 |
0 |
0.103 |
20 |
25 |
|
[SO4]M:219 |
4 |
1 |
186 |
◊ |
H |
x-1,y,z |
1_455 |
12 |
6 |
11532 |
62.6 |
-8.1 |
0.840 |
1 |
0 |
0 |
0.075 |
21 |
26 |
|
[SO4]M:221 |
4 |
1 |
185 |
f |
M |
x,y,z |
1_555 |
10 |
4 |
11560 |
61.6 |
-8.0 |
0.753 |
3 |
0 |
0 |
0.094 |
22 |
27 |
|
[SO4]H:238 |
4 |
1 |
186 |
◊ |
H |
x,y,z |
1_555 |
10 |
4 |
11532 |
54.2 |
-6.7 |
0.817 |
1 |
0 |
0 |
0.063 |
23 |
28 |
|
M |
9 |
5 |
11560 |
◊ |
[SO4]B:338 |
-x-1,y-1/2,-z-1/2 |
3_444 |
4 |
1 |
185 |
52.4 |
-4.8 |
0.941 |
0 |
0 |
0 |
0.039 |
24 |
29 |
|
[SO4]M:217 |
4 |
1 |
184 |
f |
B |
-x-1,y-1/2,-z-1/2 |
3_444 |
5 |
2 |
6568 |
45.9 |
-5.5 |
0.869 |
1 |
0 |
0 |
0.048 |
25 |
30 |
|
[SO4]M:217 |
4 |
1 |
184 |
◊ |
M |
x,y,z |
1_555 |
2 |
1 |
11560 |
39.8 |
-4.1 |
0.877 |
1 |
0 |
0 |
0.036 |
26 |
31 |
|
[SO4]M:218 |
4 |
1 |
186 |
◊ |
A |
x-1,y,z |
1_455 |
3 |
1 |
6492 |
39.5 |
-4.1 |
0.884 |
1 |
0 |
0 |
0.046 |
27 |
32 |
|
[SO4]M:220 |
4 |
1 |
185 |
◊ |
B |
-x-1,y-1/2,-z-1/2 |
3_444 |
4 |
2 |
6568 |
39.2 |
-3.8 |
0.918 |
1 |
0 |
0 |
0.034 |
28 |
33 |
|
[SO4]M:216 |
4 |
1 |
184 |
◊ |
H |
x-1,y,z |
1_455 |
7 |
3 |
11532 |
38.4 |
-4.9 |
0.731 |
0 |
0 |
0 |
0.044 |
29 |
34 |
|
[SO4]M:217 |
4 |
1 |
184 |
◊ |
H |
x-1,y,z |
1_455 |
3 |
1 |
11532 |
37.9 |
-4.4 |
0.474 |
0 |
0 |
0 |
0.026 |
30 |
35 |
|
[SO4]M:219 |
4 |
1 |
186 |
◊ |
A |
x-1,y,z |
1_455 |
1 |
1 |
6492 |
34.2 |
-2.8 |
0.974 |
1 |
0 |
0 |
0.033 |
31 |
36 |
|
[SO4]B:338 |
3 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
4 |
2 |
6568 |
33.6 |
-4.7 |
0.634 |
1 |
0 |
0 |
0.042 |
32 |
37 |
|
[SO4]M:216 |
3 |
1 |
184 |
f |
[SO4]H:238 |
x-1,y,z |
1_455 |
4 |
1 |
186 |
31.8 |
-7.0 |
0.995 |
0 |
0 |
0 |
0.071 |
33 |
38 |
|
[SO4]B:338 |
3 |
1 |
185 |
f |
[SO4]B:337 |
x,y,z |
1_555 |
4 |
1 |
186 |
19.9 |
-4.6 |
0.995 |
0 |
0 |
0 |
0.037 |
34 |
39 |
|
[GOL]A:337 |
2 |
1 |
221 |
◊ |
H |
x,y,z |
1_555 |
3 |
1 |
11532 |
15.3 |
0.1 |
0.617 |
0 |
0 |
0 |
0.000 |
35 |
40 |
|
[SO4]M:221 |
3 |
1 |
185 |
f |
[SO4]M:220 |
x,y,z |
1_555 |
1 |
1 |
185 |
15.0 |
-3.5 |
0.891 |
0 |
0 |
0 |
0.036 |
36 |
41 |
|
M |
5 |
2 |
11560 |
◊ |
[SO4]B:337 |
-x-1,y-1/2,-z-1/2 |
3_444 |
1 |
1 |
186 |
11.4 |
-1.4 |
0.691 |
0 |
0 |
0 |
0.011 |
37 |
42 |
|
L |
1 |
1 |
11606 |
◊ |
B |
x,y-1,z |
1_545 |
1 |
1 |
6568 |
10.3 |
-0.0 |
0.450 |
0 |
0 |
0 |
0.000 |
38 |
43 |
|
L |
3 |
2 |
11606 |
◊ |
[SO4]A:338 |
-x,y-1/2,-z-1/2 |
3_544 |
1 |
1 |
186 |
7.4 |
-1.0 |
0.648 |
0 |
0 |
0 |
0.015 |
39 |
44 |
|
L |
1 |
1 |
11606 |
◊ |
I |
x,y,z |
1_555 |
1 |
1 |
11817 |
3.0 |
0.1 |
0.765 |
0 |
0 |
0 |
0.000 |
|