| ## |
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 |
238 |
66 |
14199 |
◊ |
A |
x,y,z |
1_555 |
240 |
67 |
14093 |
2274.2 |
-11.4 |
0.230 |
28 |
8 |
0 |
0.353 |
2 |
|
D |
236 |
66 |
14335 |
◊ |
B |
x,y,z |
1_555 |
239 |
66 |
13959 |
2249.8 |
-11.7 |
0.204 |
26 |
9 |
0 |
0.353 |
| Average: |
2262.0 |
-11.6 |
0.217 |
27 |
9 |
0 |
0.353 |
| 2 |
3 |
|
D |
102 |
31 |
14335 |
◊ |
C |
x,y,z |
1_555 |
104 |
31 |
14199 |
1069.2 |
-7.2 |
0.204 |
12 |
12 |
0 |
0.244 |
4 |
|
B |
101 |
30 |
13959 |
◊ |
A |
x,y,z |
1_555 |
100 |
30 |
14093 |
1066.6 |
-6.7 |
0.214 |
12 |
12 |
0 |
0.244 |
| Average: |
1067.9 |
-6.9 |
0.209 |
12 |
12 |
0 |
0.244 |
| 3 |
5 |
|
C |
114 |
30 |
14199 |
◊ |
B |
x,y,z |
1_555 |
113 |
30 |
13959 |
1052.3 |
-1.8 |
0.495 |
20 |
15 |
0 |
0.127 |
6 |
|
D |
113 |
30 |
14335 |
◊ |
A |
x,y,z |
1_555 |
114 |
30 |
14093 |
1041.7 |
-1.8 |
0.514 |
20 |
15 |
0 |
0.127 |
| Average: |
1047.0 |
-1.8 |
0.504 |
20 |
15 |
0 |
0.127 |
| 4 |
7 |
|
B |
58 |
17 |
13959 |
◊ |
D |
-x+1/2,y-1/2,-z |
4_545 |
59 |
18 |
14335 |
523.1 |
-1.3 |
0.476 |
2 |
4 |
0 |
0.000 |
| 5 |
8 |
|
C |
30 |
11 |
14199 |
◊ |
A |
-x+1/2,y-1/2,-z+1 |
4_546 |
32 |
11 |
14093 |
259.1 |
1.2 |
0.680 |
4 |
0 |
0 |
0.000 |
| 6 |
9 |
|
D |
28 |
10 |
14335 |
◊ |
B |
x-1/2,y+1/2,z |
3_455 |
28 |
11 |
13959 |
221.5 |
4.5 |
0.881 |
0 |
3 |
0 |
0.000 |
| 7 |
10 |
|
B |
26 |
10 |
13959 |
◊ |
B |
-x+1,y,-z |
2_655 |
26 |
10 |
13959 |
211.1 |
1.0 |
0.694 |
2 |
0 |
0 |
0.000 |
| 8 |
11 |
|
C |
27 |
7 |
14199 |
◊ |
B |
x-1/2,y-1/2,z |
3_445 |
24 |
8 |
13959 |
204.3 |
0.1 |
0.590 |
0 |
0 |
0 |
0.000 |
| 9 |
12 |
|
C |
23 |
11 |
14199 |
◊ |
A |
x-1/2,y-1/2,z |
3_445 |
23 |
9 |
14093 |
191.9 |
0.0 |
0.532 |
0 |
0 |
0 |
0.000 |
| 10 |
13 |
|
A |
15 |
7 |
14093 |
◊ |
B |
x-1/2,y+1/2,z |
3_455 |
18 |
7 |
13959 |
129.3 |
2.5 |
0.806 |
1 |
2 |
0 |
0.000 |
| 11 |
14 |
|
D |
10 |
4 |
14335 |
◊ |
D |
-x,y,-z |
2_555 |
10 |
4 |
14335 |
119.7 |
2.8 |
0.905 |
1 |
0 |
0 |
0.000 |
| 12 |
15 |
|
[GOL]A:1330 |
6 |
1 |
219 |
f |
A |
x,y,z |
1_555 |
21 |
9 |
14093 |
113.8 |
0.0 |
0.539 |
4 |
0 |
0 |
0.031 |
| 13 |
16 |
|
D |
13 |
5 |
14335 |
◊ |
A |
x-1/2,y-1/2,z |
3_445 |
13 |
4 |
14093 |
112.3 |
-0.6 |
0.483 |
0 |
1 |
0 |
0.000 |
| 14 |
17 |
|
[SO4]A:1328 |
5 |
1 |
187 |
f |
A |
x,y,z |
1_555 |
17 |
10 |
14093 |
110.4 |
-19.4 |
0.674 |
5 |
0 |
0 |
0.381 |
| 15 |
18 |
|
[SO4]B:1328 |
5 |
1 |
187 |
f |
B |
x,y,z |
1_555 |
18 |
11 |
13959 |
110.1 |
-19.4 |
0.672 |
6 |
0 |
0 |
0.389 |
| 16 |
19 |
|
[SO4]D:1328 |
5 |
1 |
187 |
f |
D |
x,y,z |
1_555 |
19 |
11 |
14335 |
109.6 |
-19.3 |
0.675 |
6 |
0 |
0 |
0.325 |
| 17 |
20 |
|
[SO4]C:1328 |
5 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
20 |
11 |
14199 |
109.0 |
-19.3 |
0.671 |
6 |
0 |
0 |
0.325 |
| 18 |
21 |
|
[GOL]D:1330 |
5 |
1 |
222 |
f |
D |
x,y,z |
1_555 |
19 |
5 |
14335 |
99.0 |
-0.2 |
0.536 |
1 |
0 |
0 |
0.010 |
| 19 |
22 |
|
[SO4]B:1329 |
5 |
1 |
189 |
f |
B |
x,y,z |
1_555 |
15 |
7 |
13959 |
93.9 |
-13.8 |
0.702 |
1 |
0 |
0 |
0.252 |
| 20 |
23 |
|
[EDO]B:1332 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
16 |
6 |
13959 |
91.6 |
2.6 |
0.481 |
0 |
0 |
0 |
0.000 |
| 21 |
24 |
|
[SO4]A:1329 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
12 |
6 |
14093 |
89.0 |
-12.3 |
0.772 |
2 |
0 |
0 |
0.233 |
| 22 |
25 |
|
[SO4]D:1329 |
5 |
1 |
187 |
f |
D |
x,y,z |
1_555 |
10 |
6 |
14335 |
81.5 |
-11.6 |
0.747 |
2 |
0 |
0 |
0.185 |
| 23 |
26 |
|
[SO4]C:1329 |
5 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
11 |
6 |
14199 |
81.5 |
-11.6 |
0.732 |
2 |
0 |
0 |
0.185 |
| 24 |
27 |
|
[EDO]D:1332 |
3 |
1 |
172 |
f |
D |
x,y,z |
1_555 |
12 |
5 |
14335 |
76.0 |
2.5 |
0.311 |
1 |
0 |
0 |
0.000 |
| 25 |
28 |
|
[EDO]A:1334 |
3 |
1 |
171 |
f |
A |
x,y,z |
1_555 |
15 |
6 |
14093 |
69.1 |
2.5 |
0.329 |
0 |
0 |
0 |
0.000 |
| 26 |
29 |
|
C |
18 |
6 |
14199 |
◊ |
[EDO]A:1332 |
-x+1/2,y-1/2,-z+1 |
4_546 |
3 |
1 |
174 |
67.4 |
1.8 |
0.296 |
0 |
0 |
0 |
0.000 |
| 27 |
30 |
|
[EDO]D:1331 |
3 |
1 |
171 |
f |
D |
x,y,z |
1_555 |
9 |
4 |
14335 |
66.5 |
2.5 |
0.160 |
0 |
0 |
0 |
0.000 |
| 28 |
31 |
|
C |
12 |
4 |
14199 |
◊ |
[EDO]A:1331 |
-x+1/2,y-1/2,-z+1 |
4_546 |
3 |
1 |
171 |
66.4 |
2.2 |
0.156 |
0 |
0 |
0 |
0.000 |
| 29 |
32 |
|
[EDO]A:1335 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
11 |
4 |
14093 |
65.9 |
1.9 |
0.857 |
1 |
0 |
0 |
0.000 |
| 30 |
33 |
|
[EDO]B:1331 |
3 |
1 |
172 |
f |
B |
x,y,z |
1_555 |
13 |
5 |
13959 |
61.7 |
1.9 |
0.150 |
0 |
0 |
0 |
0.000 |
| 31 |
34 |
|
[SO4]B:1329 |
5 |
1 |
189 |
◊ |
D |
-x+1/2,y-1/2,-z |
4_545 |
9 |
4 |
14335 |
57.7 |
-7.3 |
0.791 |
0 |
0 |
0 |
0.000 |
| 32 |
35 |
|
[GOL]D:1330 |
5 |
1 |
222 |
◊ |
A |
x,y,z |
1_555 |
8 |
2 |
14093 |
56.7 |
0.3 |
0.662 |
2 |
0 |
0 |
0.003 |
| 33 |
36 |
|
[EDO]B:1330 |
3 |
1 |
172 |
f |
B |
x,y,z |
1_555 |
9 |
3 |
13959 |
54.3 |
1.6 |
0.000 |
0 |
0 |
0 |
0.000 |
| 34 |
37 |
|
[EDO]D:1333 |
3 |
1 |
174 |
f |
D |
x,y,z |
1_555 |
6 |
2 |
14335 |
50.6 |
1.3 |
0.820 |
0 |
0 |
0 |
0.000 |
| 35 |
38 |
|
C |
6 |
3 |
14199 |
◊ |
[GOL]A:1330 |
-x+1/2,y-1/2,-z+1 |
4_546 |
4 |
1 |
219 |
45.1 |
0.0 |
0.565 |
0 |
0 |
0 |
0.000 |
| 36 |
39 |
|
[EDO]D:1334 |
4 |
1 |
186 |
cf |
[EDO]D:1333 |
x,y,z |
1_555 |
3 |
1 |
174 |
45.0 |
2.2 |
0.000 |
0 |
0 |
0 |
0.000 |
| 37 |
40 |
|
[EDO]D:1334 |
4 |
1 |
186 |
f |
D |
x,y,z |
1_555 |
3 |
1 |
14335 |
44.5 |
1.3 |
0.944 |
0 |
0 |
0 |
0.000 |
| 38 |
41 |
|
D |
9 |
2 |
14335 |
◊ |
[EDO]B:1331 |
x-1/2,y+1/2,z |
3_455 |
3 |
1 |
172 |
44.4 |
1.3 |
0.861 |
0 |
0 |
0 |
0.000 |
| 39 |
42 |
|
[EDO]A:1333 |
3 |
1 |
172 |
f |
A |
x,y,z |
1_555 |
9 |
5 |
14093 |
44.3 |
1.6 |
0.161 |
0 |
0 |
0 |
0.000 |
| 40 |
43 |
|
C |
12 |
3 |
14199 |
◊ |
[EDO]A:1333 |
-x+1/2,y-1/2,-z+1 |
4_546 |
3 |
1 |
172 |
43.3 |
1.1 |
0.000 |
1 |
0 |
0 |
0.000 |
| 41 |
44 |
|
[GOL]D:1330 |
3 |
1 |
222 |
◊ |
C |
x,y,z |
1_555 |
3 |
2 |
14199 |
43.1 |
1.4 |
0.844 |
2 |
0 |
0 |
0.000 |
| 42 |
45 |
|
[EDO]B:1331 |
2 |
1 |
172 |
cf |
[EDO]B:1330 |
x,y,z |
1_555 |
2 |
1 |
172 |
41.8 |
2.3 |
0.000 |
0 |
0 |
0 |
0.000 |
| 43 |
46 |
|
[EDO]A:1335 |
2 |
1 |
185 |
cf |
[EDO]A:1334 |
x,y,z |
1_555 |
2 |
1 |
171 |
41.4 |
2.2 |
0.236 |
0 |
0 |
0 |
0.000 |
| 44 |
47 |
|
[EDO]D:1332 |
3 |
1 |
172 |
cf |
[EDO]D:1331 |
x,y,z |
1_555 |
2 |
1 |
171 |
38.9 |
2.0 |
0.333 |
0 |
0 |
0 |
0.000 |
| 45 |
48 |
|
D |
6 |
2 |
14335 |
◊ |
[EDO]B:1330 |
x-1/2,y+1/2,z |
3_455 |
3 |
1 |
172 |
38.4 |
1.3 |
0.724 |
0 |
0 |
0 |
0.000 |
| 46 |
49 |
|
[EDO]B:1332 |
3 |
1 |
185 |
cf |
[EDO]B:1331 |
x,y,z |
1_555 |
2 |
1 |
172 |
37.6 |
2.0 |
0.333 |
0 |
0 |
0 |
0.000 |
| 47 |
50 |
|
[EDO]D:1333 |
3 |
1 |
174 |
cf |
[EDO]D:1332 |
x,y,z |
1_555 |
3 |
1 |
172 |
37.1 |
1.7 |
1.000 |
0 |
0 |
0 |
0.000 |
| 48 |
51 |
|
[EDO]D:1334 |
3 |
1 |
186 |
◊ |
D |
-x,y,-z |
2_555 |
7 |
2 |
14335 |
36.8 |
1.2 |
0.759 |
0 |
0 |
0 |
0.000 |
| 49 |
52 |
|
[EDO]A:1334 |
2 |
1 |
171 |
cf |
[EDO]A:1333 |
x,y,z |
1_555 |
2 |
1 |
172 |
32.6 |
1.7 |
0.333 |
0 |
0 |
0 |
0.000 |
| 50 |
53 |
|
[EDO]A:1332 |
3 |
1 |
174 |
cf |
[EDO]A:1331 |
x,y,z |
1_555 |
2 |
1 |
171 |
31.0 |
1.5 |
0.333 |
0 |
0 |
0 |
0.000 |
| 51 |
54 |
|
D |
5 |
2 |
14335 |
◊ |
[EDO]B:1332 |
x-1/2,y+1/2,z |
3_455 |
4 |
1 |
185 |
30.5 |
1.6 |
0.953 |
0 |
0 |
0 |
0.000 |
| 52 |
55 |
|
[EDO]A:1332 |
3 |
1 |
174 |
f |
A |
x,y,z |
1_555 |
4 |
2 |
14093 |
30.4 |
1.0 |
0.883 |
1 |
0 |
0 |
0.000 |
| 53 |
56 |
|
[GOL]A:1330 |
3 |
1 |
219 |
◊ |
C |
x,y,z |
1_555 |
4 |
1 |
14199 |
30.4 |
-0.1 |
0.489 |
0 |
0 |
0 |
0.001 |
| 54 |
57 |
|
[EDO]D:1334 |
3 |
1 |
186 |
f |
[EDO]D:1331 |
x,y,z |
1_555 |
3 |
1 |
171 |
30.3 |
1.3 |
1.000 |
1 |
0 |
0 |
0.000 |
| 55 |
58 |
|
[EDO]A:1333 |
3 |
1 |
172 |
cf |
[EDO]A:1332 |
x,y,z |
1_555 |
2 |
1 |
174 |
28.8 |
1.5 |
0.333 |
0 |
0 |
0 |
0.000 |
| 56 |
59 |
|
[EDO]A:1335 |
3 |
1 |
185 |
f |
[EDO]A:1331 |
x,y,z |
1_555 |
2 |
1 |
171 |
27.4 |
1.2 |
1.000 |
0 |
0 |
0 |
0.000 |
| 57 |
60 |
|
[EDO]A:1331 |
3 |
1 |
171 |
f |
A |
x,y,z |
1_555 |
2 |
1 |
14093 |
25.9 |
1.2 |
0.950 |
0 |
0 |
0 |
0.000 |
| 58 |
61 |
|
[EDO]D:1333 |
3 |
1 |
174 |
f |
[EDO]D:1331 |
x,y,z |
1_555 |
1 |
1 |
171 |
23.0 |
1.1 |
0.577 |
0 |
0 |
0 |
0.000 |
| 59 |
62 |
|
[EDO]A:1335 |
2 |
1 |
185 |
f |
[EDO]A:1333 |
x,y,z |
1_555 |
1 |
1 |
172 |
19.3 |
1.2 |
0.577 |
0 |
0 |
0 |
0.000 |
| 60 |
63 |
|
[EDO]D:1334 |
3 |
1 |
186 |
f |
[EDO]D:1332 |
x,y,z |
1_555 |
2 |
1 |
172 |
16.6 |
0.8 |
1.000 |
0 |
0 |
0 |
0.000 |
| 61 |
64 |
|
[EDO]B:1332 |
2 |
1 |
185 |
f |
[EDO]B:1330 |
x,y,z |
1_555 |
2 |
1 |
172 |
14.7 |
0.9 |
1.000 |
0 |
0 |
0 |
0.000 |
| 62 |
65 |
|
[EDO]D:1333 |
1 |
1 |
174 |
◊ |
D |
-x,y,-z |
2_555 |
6 |
2 |
14335 |
13.3 |
0.4 |
0.782 |
0 |
0 |
0 |
0.000 |
| 63 |
66 |
|
[EDO]A:1334 |
2 |
1 |
171 |
f |
[EDO]A:1332 |
x,y,z |
1_555 |
1 |
1 |
174 |
13.0 |
0.7 |
0.577 |
0 |
0 |
0 |
0.000 |
| 64 |
67 |
|
C |
2 |
2 |
14199 |
◊ |
[EDO]A:1334 |
-x+1/2,y-1/2,-z+1 |
4_546 |
1 |
1 |
171 |
10.1 |
0.2 |
0.877 |
0 |
0 |
0 |
0.000 |
| 65 |
68 |
|
[EDO]A:1335 |
2 |
1 |
185 |
f |
[EDO]A:1332 |
x,y,z |
1_555 |
2 |
1 |
174 |
9.9 |
0.6 |
1.000 |
0 |
0 |
0 |
0.000 |
| 66 |
69 |
|
[EDO]A:1333 |
3 |
1 |
172 |
f |
[EDO]A:1331 |
x,y,z |
1_555 |
2 |
1 |
171 |
9.9 |
0.6 |
1.000 |
0 |
0 |
0 |
0.000 |
| 67 |
70 |
|
C |
2 |
2 |
14199 |
x |
C |
-x+1/2,y-1/2,-z+1 |
4_546 |
2 |
2 |
14199 |
7.4 |
0.3 |
0.779 |
0 |
0 |
0 |
0.000 |
| 68 |
71 |
|
[SO4]C:1329 |
1 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
14093 |
6.9 |
-1.0 |
0.452 |
0 |
0 |
0 |
0.012 |
| 69 |
72 |
|
[SO4]A:1329 |
1 |
1 |
186 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
14199 |
6.8 |
-1.0 |
0.462 |
0 |
0 |
0 |
0.012 |
| 70 |
73 |
|
D |
1 |
1 |
14335 |
◊ |
B |
x-1/2,y-1/2,z |
3_445 |
1 |
1 |
13959 |
6.0 |
0.1 |
0.790 |
0 |
0 |
0 |
0.000 |
| 71 |
74 |
|
[SO4]D:1329 |
1 |
1 |
187 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
13959 |
5.6 |
-0.8 |
0.478 |
0 |
0 |
0 |
0.011 |
| 72 |
75 |
|
[EDO]A:1334 |
1 |
1 |
171 |
f |
[EDO]A:1331 |
x,y,z |
1_555 |
1 |
1 |
171 |
2.7 |
0.2 |
1.000 |
0 |
0 |
0 |
0.000 |
| 73 |
76 |
|
D |
1 |
1 |
14335 |
◊ |
B |
-x+1,y,-z |
2_655 |
1 |
1 |
13959 |
0.1 |
0.0 |
0.633 |
0 |
0 |
0 |
0.000 |
| 74 |
77 |
|
[SO4]C:1328 |
1 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
14093 |
0.1 |
-0.0 |
0.799 |
0 |
0 |
0 |
0.000 |
|