## |
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 |
136 |
34 |
14089 |
◊ |
A |
-x,y,-z |
2_555 |
136 |
34 |
13874 |
1261.2 |
-6.3 |
0.488 |
28 |
5 |
0 |
0.185 |
2 |
2 |
|
[LU8]A:501 |
31 |
1 |
701 |
f |
A |
x,y,z |
1_555 |
59 |
24 |
13874 |
432.4 |
-7.4 |
0.430 |
1 |
0 |
0 |
0.158 |
3 |
|
[LU8]B:501 |
31 |
1 |
702 |
f |
B |
x,y,z |
1_555 |
58 |
24 |
14089 |
423.5 |
-8.4 |
0.335 |
1 |
0 |
0 |
0.158 |
Average: |
428.0 |
-7.9 |
0.382 |
1 |
0 |
0 |
0.158 |
3 |
4 |
|
B |
43 |
12 |
14089 |
◊ |
A |
x,y,z |
1_555 |
42 |
11 |
13874 |
356.3 |
-0.1 |
0.670 |
1 |
0 |
0 |
0.000 |
4 |
5 |
|
B |
28 |
7 |
14089 |
x |
B |
-x-1/2,y-1/2,-z-1 |
4_444 |
33 |
8 |
14089 |
294.1 |
-3.0 |
0.282 |
2 |
0 |
0 |
0.000 |
5 |
6 |
|
[LU8]A:508 |
28 |
1 |
708 |
f |
A |
x,y,z |
1_555 |
40 |
13 |
13874 |
263.4 |
-4.5 |
0.505 |
1 |
0 |
0 |
0.047 |
6 |
7 |
|
A |
31 |
10 |
13874 |
◊ |
B |
-x-1/2,y-1/2,-z |
4_445 |
30 |
10 |
14089 |
236.8 |
-0.7 |
0.584 |
0 |
0 |
0 |
0.000 |
7 |
8 |
|
A |
20 |
6 |
13874 |
x |
A |
-x-1/2,y-1/2,-z |
4_445 |
23 |
7 |
13874 |
199.2 |
1.1 |
0.776 |
6 |
2 |
0 |
0.000 |
8 |
9 |
|
A |
25 |
6 |
13874 |
◊ |
[LU8]A:509 |
-x-1/2,y-1/2,-z |
4_445 |
19 |
1 |
703 |
192.0 |
-2.8 |
0.496 |
0 |
0 |
0 |
0.000 |
9 |
10 |
|
[LU8]A:508 |
23 |
1 |
708 |
◊ |
B |
-x,y,-z |
2_555 |
27 |
9 |
14089 |
184.3 |
-3.5 |
0.417 |
1 |
0 |
0 |
0.037 |
10 |
11 |
|
B |
21 |
6 |
14089 |
◊ |
B |
-x-1,y,-z-1 |
2_454 |
21 |
6 |
14089 |
172.2 |
1.0 |
0.755 |
2 |
0 |
0 |
0.000 |
11 |
12 |
|
[LU8]A:509 |
17 |
1 |
703 |
◊ |
B |
-x,y,-z |
2_555 |
21 |
5 |
14089 |
140.6 |
-2.4 |
0.529 |
0 |
0 |
0 |
0.023 |
12 |
13 |
|
[LU8]A:509 |
21 |
1 |
703 |
f |
[LU8]A:508 |
x,y,z |
1_555 |
21 |
1 |
708 |
139.0 |
-0.9 |
0.838 |
0 |
0 |
0 |
0.009 |
13 |
14 |
|
A |
15 |
5 |
13874 |
◊ |
B |
x-1/2,y-1/2,z |
3_445 |
14 |
4 |
14089 |
137.2 |
1.7 |
0.884 |
6 |
0 |
0 |
0.000 |
14 |
15 |
|
[LU8]A:509 |
16 |
1 |
703 |
f |
A |
x,y,z |
1_555 |
14 |
6 |
13874 |
133.0 |
-3.2 |
0.379 |
0 |
0 |
0 |
0.030 |
15 |
16 |
|
B |
14 |
3 |
14089 |
◊ |
A |
x-1/2,y+1/2,z-1 |
3_454 |
14 |
4 |
13874 |
131.9 |
-1.0 |
0.457 |
0 |
0 |
0 |
0.000 |
16 |
17 |
|
[EDO]B:503 |
4 |
1 |
187 |
f |
B |
x,y,z |
1_555 |
21 |
9 |
14089 |
118.7 |
4.2 |
0.703 |
3 |
0 |
0 |
0.000 |
17 |
18 |
|
[EDO]A:503 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
16 |
7 |
13874 |
114.6 |
4.0 |
0.524 |
2 |
0 |
0 |
0.000 |
18 |
19 |
|
[EDO]B:509 |
4 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
17 |
10 |
14089 |
107.5 |
3.8 |
0.491 |
3 |
0 |
0 |
0.000 |
19 |
20 |
|
[EDO]A:502 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
17 |
9 |
13874 |
105.8 |
3.8 |
0.496 |
3 |
0 |
0 |
0.000 |
20 |
21 |
|
[SO4]A:512 |
5 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
18 |
8 |
13874 |
103.8 |
-14.8 |
0.843 |
3 |
0 |
0 |
0.154 |
21 |
22 |
|
[HUH]B:506 |
5 |
1 |
193 |
f |
B |
x,y,z |
1_555 |
19 |
9 |
14089 |
102.7 |
1.8 |
0.375 |
1 |
0 |
0 |
0.000 |
22 |
23 |
|
[EDO]A:515 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
18 |
8 |
13874 |
101.4 |
3.2 |
0.485 |
4 |
0 |
0 |
0.000 |
23 |
24 |
|
[SO4]B:502 |
5 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
18 |
8 |
14089 |
100.5 |
-14.2 |
0.820 |
2 |
0 |
0 |
0.144 |
24 |
25 |
|
[SO4]A:514 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
17 |
6 |
13874 |
95.1 |
-12.3 |
0.933 |
3 |
0 |
0 |
0.130 |
25 |
26 |
|
[HUH]A:510 |
5 |
1 |
192 |
f |
A |
x,y,z |
1_555 |
17 |
9 |
13874 |
91.9 |
2.1 |
0.443 |
0 |
0 |
0 |
0.000 |
26 |
27 |
|
[EDO]A:505 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
15 |
6 |
13874 |
91.3 |
3.1 |
0.517 |
7 |
0 |
0 |
0.000 |
27 |
28 |
|
[HUH]A:511 |
5 |
1 |
193 |
◊ |
A |
x,y,z |
1_555 |
12 |
5 |
13874 |
86.4 |
1.1 |
0.276 |
0 |
0 |
0 |
0.000 |
28 |
29 |
|
[HUH]B:505 |
5 |
1 |
192 |
◊ |
B |
x,y,z |
1_555 |
11 |
7 |
14089 |
85.6 |
1.6 |
0.362 |
1 |
0 |
0 |
0.000 |
29 |
30 |
|
[SRT]A:507 |
8 |
1 |
266 |
f |
A |
x,y,z |
1_555 |
11 |
5 |
13874 |
85.0 |
0.6 |
0.458 |
3 |
0 |
0 |
0.007 |
30 |
31 |
|
[EDO]A:519 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
12 |
5 |
13874 |
80.1 |
2.2 |
0.275 |
2 |
0 |
0 |
0.000 |
31 |
32 |
|
[EDO]B:511 |
4 |
1 |
181 |
f |
B |
x,y,z |
1_555 |
11 |
5 |
14089 |
79.6 |
1.5 |
0.212 |
1 |
0 |
0 |
0.000 |
32 |
33 |
|
[EDO]B:510 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
10 |
6 |
14089 |
76.6 |
1.4 |
0.619 |
2 |
0 |
0 |
0.000 |
33 |
34 |
|
[EDO]A:517 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
11 |
5 |
13874 |
76.5 |
2.0 |
0.489 |
1 |
0 |
0 |
0.000 |
34 |
35 |
|
[SO4]B:508 |
5 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
14 |
8 |
14089 |
76.1 |
-9.8 |
0.822 |
1 |
0 |
0 |
0.098 |
35 |
36 |
|
[EDO]A:516 |
4 |
1 |
182 |
◊ |
B |
-x,y,-z |
2_555 |
9 |
5 |
14089 |
72.0 |
1.9 |
0.193 |
0 |
0 |
0 |
0.000 |
36 |
37 |
|
[DMS]B:504 |
4 |
1 |
208 |
◊ |
B |
x,y,z |
1_555 |
8 |
3 |
14089 |
71.4 |
3.3 |
0.639 |
1 |
0 |
0 |
0.000 |
37 |
38 |
|
[SO4]A:513 |
5 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
12 |
5 |
13874 |
68.2 |
-9.6 |
0.813 |
2 |
0 |
0 |
0.100 |
38 |
39 |
|
[EDO]A:518 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
9 |
5 |
13874 |
66.4 |
0.9 |
0.616 |
3 |
0 |
0 |
0.004 |
39 |
40 |
|
[SO4]B:507 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
9 |
5 |
14089 |
65.7 |
-9.5 |
0.591 |
1 |
0 |
0 |
0.094 |
40 |
41 |
|
[EDO]A:504 |
3 |
1 |
183 |
◊ |
A |
x,y,z |
1_555 |
4 |
2 |
13874 |
60.1 |
1.6 |
0.302 |
1 |
0 |
0 |
0.000 |
41 |
42 |
|
[DMS]A:506 |
4 |
1 |
208 |
◊ |
B |
-x,y,-z |
2_555 |
6 |
2 |
14089 |
56.8 |
1.4 |
0.345 |
1 |
0 |
0 |
0.000 |
42 |
43 |
|
B |
8 |
2 |
14089 |
◊ |
[LU8]B:501 |
-x-1/2,y-1/2,-z-1 |
4_444 |
7 |
1 |
702 |
54.0 |
-0.1 |
0.540 |
0 |
0 |
0 |
0.000 |
43 |
44 |
|
[SO4]A:513 |
4 |
1 |
184 |
◊ |
B |
x-1/2,y-1/2,z |
3_445 |
7 |
3 |
14089 |
49.0 |
-6.0 |
0.785 |
1 |
0 |
0 |
0.000 |
44 |
45 |
|
[EDO]A:505 |
4 |
1 |
184 |
◊ |
B |
-x-1/2,y-1/2,-z |
4_445 |
8 |
2 |
14089 |
47.6 |
1.0 |
0.760 |
1 |
0 |
0 |
0.000 |
45 |
46 |
|
[HUH]B:505 |
5 |
1 |
192 |
f |
B |
-x-1/2,y-1/2,-z-1 |
4_444 |
5 |
1 |
14089 |
46.4 |
0.1 |
0.156 |
0 |
0 |
0 |
0.000 |
46 |
47 |
|
[HUH]B:506 |
5 |
1 |
193 |
◊ |
[HUH]B:505 |
x,y,z |
1_555 |
5 |
1 |
192 |
45.1 |
1.4 |
0.061 |
0 |
0 |
0 |
0.000 |
47 |
48 |
|
[EDO]A:517 |
4 |
1 |
184 |
◊ |
[LU8]A:509 |
-x-1/2,y-1/2,-z |
4_445 |
7 |
1 |
703 |
44.3 |
1.3 |
0.904 |
0 |
0 |
0 |
0.000 |
48 |
49 |
|
[EDO]A:516 |
3 |
1 |
182 |
f |
A |
x,y,z |
1_555 |
6 |
2 |
13874 |
40.7 |
0.5 |
0.703 |
1 |
0 |
0 |
0.000 |
49 |
50 |
|
[EDO]A:516 |
3 |
1 |
182 |
f |
[LU8]A:508 |
x,y,z |
1_555 |
6 |
1 |
708 |
40.5 |
1.4 |
0.896 |
0 |
0 |
0 |
0.000 |
50 |
51 |
|
[EDO]A:504 |
2 |
1 |
183 |
f |
A |
-x-1/2,y-1/2,-z |
4_445 |
5 |
2 |
13874 |
36.0 |
0.4 |
0.586 |
0 |
0 |
0 |
0.000 |
51 |
52 |
|
[DMS]A:506 |
3 |
1 |
208 |
f |
A |
x,y,z |
1_555 |
3 |
1 |
13874 |
31.6 |
-0.1 |
0.128 |
0 |
0 |
0 |
0.000 |
52 |
53 |
|
[EDO]A:517 |
2 |
1 |
184 |
◊ |
[LU8]A:508 |
-x-1/2,y-1/2,-z |
4_445 |
4 |
1 |
708 |
30.1 |
0.5 |
0.585 |
0 |
0 |
0 |
0.000 |
53 |
54 |
|
[HUH]A:511 |
4 |
1 |
193 |
◊ |
[LU8]A:509 |
-x-1/2,y-1/2,-z |
4_445 |
1 |
1 |
703 |
25.3 |
0.1 |
0.199 |
0 |
0 |
0 |
0.000 |
54 |
55 |
|
[EDO]A:517 |
3 |
1 |
184 |
◊ |
A |
-x-1/2,y-1/2,-z |
4_445 |
2 |
1 |
13874 |
23.3 |
0.8 |
0.964 |
2 |
0 |
0 |
0.000 |
55 |
56 |
|
[HUH]A:511 |
2 |
1 |
193 |
◊ |
[DMS]A:506 |
-x-1/2,y-1/2,-z |
4_445 |
3 |
1 |
208 |
19.4 |
0.4 |
0.451 |
0 |
0 |
0 |
0.000 |
56 |
57 |
|
A |
2 |
2 |
13874 |
◊ |
[LU8]A:508 |
-x-1/2,y-1/2,-z |
4_445 |
4 |
1 |
708 |
18.7 |
0.0 |
0.770 |
0 |
0 |
0 |
0.000 |
57 |
58 |
|
[HUH]A:511 |
2 |
1 |
193 |
f |
B |
x-1/2,y-1/2,z |
3_445 |
3 |
1 |
14089 |
17.2 |
0.3 |
0.934 |
0 |
0 |
0 |
0.000 |
58 |
59 |
|
[DMS]A:506 |
3 |
1 |
208 |
f |
[LU8]A:509 |
x,y,z |
1_555 |
6 |
1 |
703 |
15.2 |
-0.2 |
0.381 |
0 |
0 |
0 |
0.001 |
59 |
60 |
|
A |
5 |
2 |
13874 |
◊ |
[DMS]A:506 |
-x-1/2,y-1/2,-z |
4_445 |
1 |
1 |
208 |
13.8 |
0.5 |
0.562 |
0 |
0 |
0 |
0.000 |
60 |
61 |
|
[SRT]A:507 |
3 |
1 |
266 |
◊ |
A |
-x,y,-z+1 |
2_556 |
2 |
2 |
13874 |
11.6 |
-0.3 |
0.477 |
0 |
0 |
0 |
0.000 |
61 |
62 |
|
[SO4]B:508 |
1 |
1 |
183 |
f |
[SO4]B:507 |
x,y,z |
1_555 |
1 |
1 |
184 |
9.2 |
-2.2 |
0.800 |
0 |
0 |
0 |
0.021 |
62 |
63 |
|
[SO4]A:514 |
1 |
1 |
185 |
f |
[EDO]A:505 |
x,y,z |
1_555 |
1 |
1 |
184 |
6.2 |
-0.6 |
0.894 |
0 |
0 |
0 |
0.006 |
63 |
64 |
|
[DMS]A:506 |
1 |
1 |
208 |
f |
[EDO]A:502 |
x,y,z |
1_555 |
1 |
1 |
183 |
5.3 |
0.2 |
0.500 |
0 |
0 |
0 |
0.000 |
64 |
65 |
|
[HUH]A:511 |
1 |
1 |
193 |
◊ |
A |
-x-1/2,y-1/2,-z |
4_445 |
1 |
1 |
13874 |
5.2 |
0.1 |
0.448 |
0 |
0 |
0 |
0.000 |
65 |
66 |
|
[SO4]A:513 |
1 |
1 |
184 |
◊ |
[LU8]A:509 |
-x-1/2,y-1/2,-z |
4_445 |
2 |
1 |
703 |
4.4 |
-0.6 |
0.755 |
0 |
0 |
0 |
0.000 |
66 |
67 |
|
A |
1 |
1 |
13874 |
◊ |
[SO4]A:512 |
-x-1/2,y-1/2,-z |
4_445 |
1 |
1 |
183 |
2.5 |
-0.3 |
0.879 |
0 |
0 |
0 |
0.000 |
67 |
68 |
|
[DMS]B:504 |
1 |
1 |
208 |
f |
A |
x-1/2,y-1/2,z-1 |
3_444 |
1 |
1 |
13874 |
1.8 |
0.1 |
0.426 |
0 |
0 |
0 |
0.000 |
|