| ## |
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 |
78 |
25 |
13877 |
◊ |
A |
x,y,z |
1_555 |
77 |
25 |
13731 |
661.5 |
-1.2 |
0.478 |
12 |
0 |
0 |
0.000 |
2 |
|
C |
76 |
25 |
13879 |
◊ |
C |
-x+1,y,-z+1 |
2_656 |
76 |
25 |
13879 |
657.7 |
-2.0 |
0.413 |
12 |
0 |
0 |
0.000 |
| Average: |
659.6 |
-1.6 |
0.446 |
12 |
0 |
0 |
0.000 |
| 2 |
3 |
|
C |
47 |
13 |
13879 |
◊ |
B |
x,y,z |
1_555 |
52 |
17 |
13877 |
425.1 |
-0.1 |
0.458 |
7 |
0 |
0 |
0.000 |
4 |
|
C |
53 |
18 |
13879 |
◊ |
A |
-x+1/2,y-1/2,-z+1 |
4_546 |
45 |
13 |
13731 |
420.2 |
-0.3 |
0.505 |
7 |
0 |
0 |
0.000 |
5 |
|
B |
43 |
12 |
13877 |
◊ |
A |
-x+1/2,y-1/2,-z+1 |
4_546 |
48 |
17 |
13731 |
398.2 |
-1.2 |
0.423 |
6 |
0 |
0 |
0.000 |
| Average: |
414.5 |
-0.5 |
0.462 |
7 |
0 |
0 |
0.000 |
| 3 |
6 |
|
C |
40 |
13 |
13879 |
◊ |
C |
-x+1,y,-z+2 |
2_657 |
40 |
13 |
13879 |
337.5 |
-1.1 |
0.444 |
2 |
0 |
0 |
0.000 |
| 4 |
7 |
|
A |
21 |
8 |
13731 |
◊ |
B |
-x+1/2,y-1/2,-z+1 |
4_546 |
22 |
9 |
13877 |
204.5 |
-1.6 |
0.299 |
3 |
0 |
0 |
0.000 |
8 |
|
B |
20 |
7 |
13877 |
◊ |
C |
x-1/2,y+1/2,z |
3_455 |
19 |
8 |
13879 |
196.3 |
-1.5 |
0.308 |
3 |
0 |
0 |
0.000 |
9 |
|
C |
20 |
7 |
13879 |
◊ |
A |
-x+1,y,-z+1 |
2_656 |
19 |
8 |
13731 |
188.1 |
-1.0 |
0.379 |
3 |
0 |
0 |
0.000 |
| Average: |
196.3 |
-1.4 |
0.329 |
3 |
0 |
0 |
0.000 |
| 5 |
10 |
|
[GOL]B:411 |
6 |
1 |
220 |
f |
B |
x,y,z |
1_555 |
31 |
12 |
13877 |
152.2 |
-1.3 |
0.382 |
3 |
0 |
0 |
0.004 |
| 6 |
11 |
|
A |
16 |
6 |
13731 |
◊ |
B |
x,y,z-1 |
1_554 |
14 |
6 |
13877 |
146.1 |
-1.6 |
0.261 |
0 |
0 |
0 |
0.000 |
| 7 |
12 |
|
[GOL]B:413 |
6 |
1 |
214 |
f |
B |
x,y,z |
1_555 |
28 |
13 |
13877 |
138.3 |
-2.5 |
0.243 |
1 |
0 |
0 |
0.004 |
| 8 |
13 |
|
[GOL]B:412 |
6 |
1 |
221 |
f |
B |
x,y,z |
1_555 |
21 |
8 |
13877 |
128.9 |
-1.1 |
0.374 |
1 |
0 |
0 |
0.002 |
| 9 |
14 |
|
[EDO]A:409 |
4 |
1 |
189 |
f |
A |
x,y,z |
1_555 |
27 |
11 |
13731 |
124.9 |
3.0 |
0.496 |
1 |
0 |
0 |
0.000 |
| 10 |
15 |
|
[GOL]A:410 |
6 |
1 |
220 |
f |
A |
x,y,z |
1_555 |
18 |
7 |
13731 |
124.7 |
-1.0 |
0.396 |
0 |
0 |
0 |
0.001 |
| 11 |
16 |
|
[SO4]A:405 |
5 |
1 |
187 |
f |
A |
x,y,z |
1_555 |
22 |
10 |
13731 |
116.6 |
-18.2 |
0.365 |
2 |
0 |
0 |
0.029 |
| 12 |
17 |
|
[EDO]B:409 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
22 |
9 |
13877 |
114.3 |
2.5 |
0.347 |
0 |
0 |
0 |
0.000 |
| 13 |
18 |
|
[EDO]B:408 |
4 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
21 |
9 |
13877 |
110.8 |
2.4 |
0.348 |
0 |
0 |
0 |
0.000 |
| 14 |
19 |
|
[GOL]A:411 |
6 |
1 |
226 |
f |
A |
x,y,z |
1_555 |
20 |
6 |
13731 |
108.5 |
-1.0 |
0.370 |
1 |
0 |
0 |
0.002 |
| 15 |
20 |
|
[EDO]C:407 |
4 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
21 |
8 |
13879 |
107.2 |
2.1 |
0.311 |
0 |
0 |
0 |
0.000 |
| 16 |
21 |
|
[SO4]A:406 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
20 |
6 |
13731 |
106.6 |
-16.1 |
0.791 |
2 |
0 |
0 |
0.025 |
| 17 |
22 |
|
[EDO]A:408 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
24 |
8 |
13731 |
106.3 |
2.2 |
0.349 |
0 |
0 |
0 |
0.000 |
| 18 |
23 |
|
[SO4]B:406 |
5 |
1 |
187 |
f |
B |
x,y,z |
1_555 |
15 |
9 |
13877 |
103.1 |
-15.0 |
0.755 |
5 |
0 |
0 |
0.024 |
| 19 |
24 |
|
C |
16 |
5 |
13879 |
x |
A |
x,y,z |
1_555 |
11 |
3 |
13731 |
101.0 |
0.7 |
0.704 |
3 |
0 |
0 |
0.000 |
25 |
|
A |
15 |
5 |
13731 |
x |
C |
x-1/2,y+1/2,z |
3_455 |
11 |
3 |
13879 |
100.3 |
0.7 |
0.712 |
3 |
0 |
0 |
0.000 |
26 |
|
B |
15 |
5 |
13877 |
x |
B |
-x+1/2,y-1/2,-z+1 |
4_546 |
10 |
3 |
13877 |
93.1 |
0.8 |
0.723 |
3 |
0 |
0 |
0.000 |
| Average: |
98.1 |
0.7 |
0.713 |
3 |
0 |
0 |
0.000 |
| 20 |
27 |
|
[SO4]B:401 |
5 |
1 |
187 |
f |
B |
x,y,z |
1_555 |
9 |
6 |
13877 |
93.0 |
-12.9 |
0.881 |
4 |
0 |
0 |
0.021 |
| 21 |
28 |
|
[EDO]A:407 |
4 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
16 |
7 |
13731 |
92.1 |
3.3 |
0.311 |
4 |
0 |
0 |
0.000 |
| 22 |
29 |
|
[FMT]A:412 |
3 |
1 |
152 |
f |
A |
x,y,z |
1_555 |
14 |
7 |
13731 |
90.1 |
0.7 |
0.444 |
1 |
0 |
0 |
0.000 |
| 23 |
30 |
|
[EDO]B:410 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
13 |
6 |
13877 |
86.6 |
2.8 |
0.469 |
1 |
0 |
0 |
0.000 |
| 24 |
31 |
|
[SO4]C:401 |
5 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
13 |
3 |
13879 |
86.0 |
-13.1 |
0.723 |
1 |
0 |
0 |
0.026 |
| 25 |
32 |
|
[SO4]C:403 |
5 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
10 |
4 |
13879 |
84.3 |
-12.6 |
0.426 |
2 |
0 |
0 |
0.026 |
| 26 |
33 |
|
[SO4]A:402 |
5 |
1 |
187 |
f |
A |
x,y,z |
1_555 |
10 |
5 |
13731 |
79.9 |
-10.8 |
0.601 |
3 |
0 |
0 |
0.018 |
| 27 |
34 |
|
[SO4]A:403 |
4 |
1 |
188 |
f |
A |
x,y,z |
1_555 |
11 |
5 |
13731 |
79.0 |
-9.8 |
0.922 |
3 |
0 |
0 |
0.017 |
| 28 |
35 |
|
[SO4]B:403 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
9 |
4 |
13877 |
75.2 |
-10.4 |
0.639 |
4 |
0 |
0 |
0.017 |
| 29 |
36 |
|
[SO4]B:402 |
5 |
1 |
187 |
f |
B |
x,y,z |
1_555 |
11 |
5 |
13877 |
74.1 |
-9.4 |
0.833 |
2 |
0 |
0 |
0.014 |
| 30 |
37 |
|
[SO4]C:404 |
5 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
11 |
5 |
13879 |
71.7 |
-8.7 |
0.871 |
2 |
0 |
0 |
0.018 |
| 31 |
38 |
|
B |
12 |
3 |
13877 |
◊ |
[GOL]A:410 |
-x+1/2,y-1/2,-z+1 |
4_546 |
6 |
1 |
220 |
69.5 |
0.5 |
0.607 |
3 |
0 |
0 |
0.000 |
| 32 |
39 |
|
[GOL]A:411 |
4 |
1 |
226 |
◊ |
B |
x,y,z |
1_555 |
10 |
4 |
13877 |
62.3 |
0.3 |
0.634 |
1 |
0 |
0 |
0.000 |
| 33 |
40 |
|
[GOL]B:412 |
5 |
1 |
221 |
◊ |
C |
x,y,z |
1_555 |
9 |
3 |
13879 |
58.3 |
-0.2 |
0.470 |
1 |
0 |
0 |
0.000 |
| 34 |
41 |
|
[SO4]B:407 |
4 |
1 |
187 |
f |
B |
x,y,z |
1_555 |
6 |
2 |
13877 |
55.3 |
-6.6 |
0.868 |
3 |
0 |
0 |
0.011 |
| 35 |
42 |
|
[SO4]C:405 |
4 |
1 |
187 |
f |
C |
x,y,z |
1_555 |
5 |
2 |
13879 |
54.6 |
-6.5 |
0.884 |
2 |
0 |
0 |
0.014 |
| 36 |
43 |
|
[SO4]A:404 |
4 |
1 |
187 |
f |
A |
x,y,z |
1_555 |
7 |
3 |
13731 |
52.6 |
-5.7 |
0.912 |
2 |
0 |
0 |
0.010 |
| 37 |
44 |
|
[SO4]B:405 |
4 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
8 |
4 |
13877 |
51.2 |
-5.6 |
0.894 |
3 |
0 |
0 |
0.010 |
| 38 |
45 |
|
[SO4]C:406 |
4 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
7 |
3 |
13879 |
47.6 |
-5.2 |
0.923 |
2 |
0 |
0 |
0.012 |
| 39 |
46 |
|
[SO4]B:404 |
4 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
4 |
2 |
13877 |
43.6 |
-4.1 |
0.954 |
3 |
0 |
0 |
0.000 |
| 40 |
47 |
|
[SO4]A:401 |
4 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
4 |
2 |
13731 |
41.5 |
-3.6 |
0.966 |
2 |
0 |
0 |
0.007 |
| 41 |
48 |
|
[SO4]C:402 |
3 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
3 |
2 |
13879 |
37.9 |
-3.8 |
0.965 |
2 |
0 |
0 |
0.009 |
| 42 |
49 |
|
[EDO]A:408 |
2 |
1 |
185 |
f |
[EDO]A:407 |
x,y,z |
1_555 |
2 |
1 |
186 |
29.2 |
1.2 |
1.000 |
0 |
0 |
0 |
0.000 |
| 43 |
50 |
|
[GOL]B:413 |
2 |
1 |
214 |
f |
[EDO]B:409 |
x,y,z |
1_555 |
3 |
1 |
185 |
25.5 |
0.3 |
0.764 |
1 |
0 |
0 |
0.000 |
| 44 |
51 |
|
A |
1 |
1 |
13731 |
f |
[EDO]B:408 |
-x+1/2,y-1/2,-z+1 |
4_546 |
2 |
1 |
184 |
25.1 |
0.1 |
0.223 |
0 |
0 |
0 |
0.000 |
| 45 |
52 |
|
[EDO]A:408 |
2 |
1 |
185 |
f |
[SO4]A:405 |
x,y,z |
1_555 |
1 |
1 |
187 |
19.7 |
-1.8 |
0.894 |
0 |
0 |
0 |
0.003 |
| 46 |
53 |
|
[GOL]A:411 |
1 |
1 |
226 |
f |
[EDO]A:409 |
x,y,z |
1_555 |
3 |
1 |
189 |
18.9 |
0.6 |
0.707 |
1 |
0 |
0 |
0.000 |
| 47 |
54 |
|
A |
1 |
1 |
13731 |
x |
A |
-x+1/2,y-1/2,-z+1 |
4_546 |
1 |
1 |
13731 |
9.4 |
-0.0 |
0.408 |
0 |
0 |
0 |
0.000 |
55 |
|
C |
1 |
1 |
13879 |
x |
B |
-x+1/2,y-1/2,-z+1 |
4_546 |
1 |
1 |
13877 |
9.1 |
-0.0 |
0.410 |
0 |
0 |
0 |
0.000 |
56 |
|
C |
1 |
1 |
13879 |
x |
B |
-x+1,y,-z+1 |
2_656 |
1 |
1 |
13877 |
8.6 |
-0.0 |
0.419 |
0 |
0 |
0 |
0.000 |
| Average: |
9.1 |
-0.0 |
0.412 |
0 |
0 |
0 |
0.000 |
| 48 |
57 |
|
[SO4]B:401 |
1 |
1 |
187 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
13879 |
8.9 |
-0.9 |
0.821 |
0 |
0 |
0 |
0.000 |
| 49 |
58 |
|
[SO4]A:401 |
1 |
1 |
186 |
◊ |
[SO4]B:405 |
-x+1/2,y-1/2,-z+1 |
4_546 |
1 |
1 |
186 |
8.2 |
-2.0 |
0.800 |
0 |
0 |
0 |
0.000 |
| 50 |
59 |
|
[GOL]B:412 |
2 |
1 |
221 |
f |
[EDO]B:409 |
x,y,z |
1_555 |
1 |
1 |
185 |
8.2 |
0.1 |
0.764 |
0 |
0 |
0 |
0.000 |
| 51 |
60 |
|
[GOL]B:412 |
2 |
1 |
221 |
f |
[GOL]B:411 |
x,y,z |
1_555 |
2 |
1 |
220 |
7.9 |
0.1 |
0.661 |
0 |
0 |
0 |
0.000 |
| 52 |
61 |
|
[GOL]A:410 |
2 |
1 |
220 |
f |
[EDO]A:409 |
x,y,z |
1_555 |
1 |
1 |
189 |
6.1 |
0.0 |
0.764 |
0 |
0 |
0 |
0.000 |
| 53 |
62 |
|
[EDO]A:407 |
1 |
1 |
186 |
f |
[SO4]A:405 |
x,y,z |
1_555 |
1 |
1 |
187 |
2.2 |
-0.2 |
1.000 |
0 |
0 |
0 |
0.000 |
| 54 |
63 |
|
[GOL]A:410 |
1 |
1 |
220 |
f |
[EDO]A:408 |
x,y,z |
1_555 |
1 |
1 |
185 |
1.6 |
0.0 |
0.707 |
0 |
0 |
0 |
0.000 |
|