| ## |
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 |
92 |
25 |
12158 |
◊ |
B |
-x,-y+1/2,z |
6_555 |
90 |
25 |
12158 |
992.6 |
-9.5 |
0.151 |
6 |
2 |
0 |
0.206 |
2 |
|
A |
87 |
22 |
12193 |
◊ |
A |
-x+1,-y+1/2,z |
6_655 |
86 |
22 |
12193 |
953.9 |
-9.7 |
0.112 |
8 |
2 |
0 |
0.206 |
| Average: |
973.2 |
-9.6 |
0.131 |
7 |
2 |
0 |
0.206 |
| 2 |
3 |
|
D |
105 |
26 |
11825 |
◊ |
C |
x,y,z |
1_555 |
104 |
25 |
11814 |
891.4 |
-9.8 |
0.183 |
11 |
1 |
0 |
0.000 |
4 |
|
B |
104 |
26 |
12158 |
◊ |
A |
x,y,z |
1_555 |
100 |
27 |
12193 |
886.1 |
-9.9 |
0.151 |
13 |
1 |
0 |
0.000 |
| Average: |
888.7 |
-9.8 |
0.167 |
12 |
1 |
0 |
0.000 |
| 3 |
5 |
|
D |
86 |
21 |
11825 |
◊ |
D |
-x,-y+3/2,z |
6_565 |
88 |
21 |
11825 |
788.4 |
-9.3 |
0.154 |
2 |
0 |
0 |
0.060 |
6 |
|
C |
72 |
20 |
11814 |
◊ |
C |
-x,-y+1/2,z |
6_555 |
73 |
20 |
11814 |
689.3 |
-5.4 |
0.318 |
6 |
0 |
0 |
0.060 |
| Average: |
738.9 |
-7.3 |
0.236 |
4 |
0 |
0 |
0.060 |
| 4 |
7 |
|
D |
24 |
7 |
11825 |
◊ |
A |
-x+1/2,-y+1,z-1/2 |
2_564 |
28 |
8 |
12193 |
275.1 |
-1.3 |
0.476 |
9 |
6 |
0 |
0.074 |
8 |
|
C |
30 |
8 |
11814 |
◊ |
B |
x,y,z |
1_555 |
22 |
6 |
12158 |
265.7 |
-0.9 |
0.506 |
8 |
6 |
0 |
0.074 |
| Average: |
270.4 |
-1.1 |
0.491 |
9 |
6 |
0 |
0.074 |
| 5 |
9 |
|
C |
30 |
9 |
11814 |
◊ |
B |
-x,-y+1/2,z |
6_555 |
30 |
9 |
12158 |
262.4 |
-2.7 |
0.324 |
1 |
1 |
0 |
0.031 |
10 |
|
D |
29 |
11 |
11825 |
◊ |
A |
x-1/2,y+1/2,z-1/2 |
5_454 |
29 |
10 |
12193 |
260.5 |
-2.5 |
0.336 |
0 |
1 |
0 |
0.031 |
| Average: |
261.5 |
-2.6 |
0.330 |
1 |
1 |
0 |
0.031 |
| 6 |
11 |
|
[BME]C:325 |
4 |
1 |
206 |
cf |
C |
x,y,z |
1_555 |
21 |
11 |
11814 |
126.7 |
-2.5 |
0.189 |
2 |
0 |
0 |
0.026 |
| 7 |
12 |
|
[BME]A:325 |
4 |
1 |
207 |
f |
A |
x,y,z |
1_555 |
19 |
10 |
12193 |
124.7 |
-2.4 |
0.198 |
4 |
0 |
0 |
0.125 |
| 8 |
13 |
|
[BME]D:326 |
4 |
1 |
206 |
f |
D |
x,y,z |
1_555 |
21 |
12 |
11825 |
121.1 |
-2.5 |
0.230 |
3 |
0 |
0 |
0.045 |
| 9 |
14 |
|
[BME]B:330 |
4 |
1 |
208 |
f |
B |
x,y,z |
1_555 |
19 |
10 |
12158 |
118.5 |
-2.5 |
0.226 |
2 |
0 |
0 |
0.026 |
| 10 |
15 |
|
[SO4]B:326 |
5 |
1 |
187 |
f |
B |
x,y,z |
1_555 |
15 |
5 |
12158 |
103.5 |
-13.6 |
0.882 |
3 |
0 |
0 |
0.114 |
| 11 |
16 |
|
[SO4]B:328 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
18 |
8 |
12158 |
95.8 |
-13.2 |
0.783 |
0 |
0 |
0 |
0.100 |
| 12 |
17 |
|
[SO4]B:324 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
19 |
7 |
12158 |
85.1 |
-12.3 |
0.811 |
1 |
0 |
0 |
0.097 |
| 13 |
18 |
|
[SO4]B:327 |
5 |
1 |
185 |
f |
C |
-x,-y+1/2,z |
6_555 |
14 |
7 |
11814 |
83.6 |
-11.7 |
0.715 |
1 |
0 |
0 |
0.092 |
| 14 |
19 |
|
[SO4]C:323 |
5 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
13 |
6 |
11814 |
83.0 |
-11.7 |
0.872 |
2 |
0 |
0 |
0.096 |
| 15 |
20 |
|
[SO4]D:323 |
4 |
1 |
187 |
f |
D |
x,y,z |
1_555 |
12 |
7 |
11825 |
82.8 |
-11.7 |
0.814 |
3 |
0 |
0 |
0.155 |
| 16 |
21 |
|
[SO4]A:323 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
13 |
6 |
12193 |
82.6 |
-11.4 |
0.845 |
2 |
0 |
0 |
0.372 |
| 17 |
22 |
|
[SO4]B:323 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
9 |
5 |
12158 |
81.1 |
-10.6 |
0.905 |
4 |
0 |
0 |
0.094 |
| 18 |
23 |
|
[SO4]B:325 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
7 |
4 |
12158 |
79.7 |
-10.0 |
0.947 |
6 |
0 |
0 |
0.097 |
| 19 |
24 |
|
[SO4]C:324 |
5 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
10 |
5 |
11814 |
79.4 |
-9.3 |
0.954 |
2 |
0 |
0 |
0.077 |
| 20 |
25 |
|
[SO4]B:329 |
5 |
1 |
187 |
f |
B |
x,y,z |
1_555 |
14 |
6 |
12158 |
76.6 |
-10.4 |
0.760 |
1 |
0 |
0 |
0.082 |
| 21 |
26 |
|
[SO4]D:324 |
4 |
1 |
186 |
f |
D |
x,y,z |
1_555 |
9 |
4 |
11825 |
72.8 |
-10.3 |
0.709 |
3 |
0 |
0 |
0.137 |
| 22 |
27 |
|
[SO4]A:324 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
6 |
3 |
12193 |
69.2 |
-8.5 |
0.954 |
3 |
0 |
0 |
0.297 |
| 23 |
28 |
|
[SO4]B:327 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
9 |
3 |
12158 |
67.6 |
-9.1 |
0.765 |
1 |
0 |
0 |
0.072 |
| 24 |
29 |
|
[SO4]B:324 |
5 |
1 |
186 |
◊ |
A |
x,y,z |
1_555 |
14 |
5 |
12193 |
66.3 |
-8.6 |
0.836 |
2 |
0 |
0 |
0.000 |
| 25 |
30 |
|
[SO4]D:325 |
4 |
1 |
186 |
f |
D |
x,y,z |
1_555 |
9 |
4 |
11825 |
58.8 |
-8.1 |
0.679 |
2 |
0 |
0 |
0.107 |
| 26 |
31 |
|
C |
3 |
1 |
11814 |
◊ |
B |
-x+1/2,y,-z |
7_555 |
4 |
3 |
12158 |
31.8 |
-0.5 |
0.336 |
0 |
0 |
0 |
0.000 |
| 27 |
32 |
|
[SO4]A:324 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
12158 |
25.4 |
-2.9 |
0.717 |
1 |
0 |
0 |
0.000 |
| 28 |
33 |
|
[SO4]C:324 |
3 |
1 |
186 |
◊ |
D |
x,y,z |
1_555 |
3 |
1 |
11825 |
23.8 |
-2.8 |
0.659 |
0 |
0 |
0 |
0.000 |
| 29 |
34 |
|
[SO4]D:324 |
4 |
1 |
186 |
◊ |
C |
x,y,z |
1_555 |
2 |
1 |
11814 |
23.4 |
-2.5 |
0.583 |
0 |
0 |
0 |
0.000 |
| 30 |
35 |
|
[SO4]B:325 |
3 |
1 |
186 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
12193 |
20.9 |
-2.2 |
0.698 |
0 |
0 |
0 |
0.000 |
| 31 |
36 |
|
C |
1 |
1 |
11814 |
◊ |
B |
x-1/2,-y+1/2,-z |
4_455 |
1 |
1 |
12158 |
0.7 |
-0.0 |
0.609 |
0 |
0 |
0 |
0.000 |
|