| ## |
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 |
149 |
38 |
8411 |
◊ |
A |
x,y,z |
1_555 |
144 |
38 |
8490 |
1265.7 |
-16.2 |
0.265 |
20 |
2 |
0 |
0.158 |
| 2 |
2 |
|
A |
48 |
11 |
8490 |
x |
A |
-y,x-y-1,z+1/3 |
2_545 |
49 |
16 |
8490 |
418.4 |
-5.7 |
0.354 |
5 |
0 |
0 |
0.000 |
3 |
|
B |
48 |
18 |
8411 |
x |
B |
-y,x-y,z+1/3 |
2_555 |
44 |
11 |
8411 |
369.1 |
-5.0 |
0.386 |
5 |
0 |
0 |
0.000 |
| Average: |
393.7 |
-5.3 |
0.370 |
5 |
0 |
0 |
0.000 |
| 3 |
4 |
|
[K5Q]B:1217 |
29 |
1 |
592 |
◊ |
A |
x,y,z |
1_555 |
41 |
11 |
8490 |
259.3 |
3.2 |
0.672 |
0 |
0 |
0 |
0.000 |
5 |
|
[K5Q]B:1218 |
25 |
1 |
590 |
◊ |
B |
x,y,z |
1_555 |
38 |
10 |
8411 |
246.7 |
2.6 |
0.604 |
0 |
0 |
0 |
0.000 |
| Average: |
253.0 |
2.9 |
0.638 |
0 |
0 |
0 |
0.000 |
| 4 |
6 |
|
B |
21 |
10 |
8411 |
◊ |
A |
-y,x-y,z+1/3 |
2_555 |
27 |
9 |
8490 |
244.0 |
-3.3 |
0.254 |
1 |
0 |
0 |
0.000 |
7 |
|
B |
26 |
9 |
8411 |
◊ |
A |
-y,x-y-1,z+1/3 |
2_545 |
20 |
10 |
8490 |
243.4 |
-3.3 |
0.251 |
1 |
0 |
0 |
0.000 |
| Average: |
243.7 |
-3.3 |
0.253 |
1 |
0 |
0 |
0.000 |
| 5 |
8 |
|
[K5Q]B:1218 |
25 |
1 |
590 |
f |
A |
x,y,z |
1_555 |
20 |
7 |
8490 |
194.7 |
-1.5 |
0.572 |
6 |
0 |
0 |
0.044 |
9 |
|
[K5Q]B:1217 |
26 |
1 |
592 |
f |
B |
x,y,z |
1_555 |
17 |
7 |
8411 |
193.0 |
-0.6 |
0.599 |
5 |
0 |
0 |
0.044 |
| Average: |
193.8 |
-1.1 |
0.585 |
6 |
0 |
0 |
0.044 |
| 6 |
10 |
|
A |
9 |
3 |
8490 |
◊ |
B |
-y,x-y-1,z-2/3 |
2_544 |
13 |
4 |
8411 |
109.3 |
-1.5 |
0.380 |
0 |
0 |
0 |
0.000 |
11 |
|
A |
13 |
4 |
8490 |
◊ |
B |
-y,x-y,z-2/3 |
2_554 |
10 |
3 |
8411 |
106.0 |
-1.5 |
0.375 |
0 |
0 |
0 |
0.000 |
| Average: |
107.6 |
-1.5 |
0.377 |
0 |
0 |
0 |
0.000 |
| 7 |
12 |
|
[SO4]A:1211 |
5 |
1 |
187 |
f |
A |
x,y,z |
1_555 |
15 |
7 |
8490 |
100.7 |
-14.1 |
0.843 |
3 |
0 |
0 |
0.097 |
| 8 |
13 |
|
[SO4]B:1211 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
14 |
7 |
8411 |
99.6 |
-14.1 |
0.850 |
3 |
0 |
0 |
0.096 |
| 9 |
14 |
|
[SO4]A:1212 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
19 |
7 |
8490 |
99.4 |
-16.0 |
0.741 |
1 |
0 |
0 |
0.103 |
| 10 |
15 |
|
[SO4]B:1212 |
5 |
1 |
187 |
f |
B |
x,y,z |
1_555 |
19 |
7 |
8411 |
98.5 |
-15.9 |
0.743 |
1 |
0 |
0 |
0.102 |
| 11 |
16 |
|
[EDO]B:1215 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
21 |
9 |
8411 |
88.5 |
1.4 |
0.262 |
1 |
0 |
0 |
0.000 |
| 12 |
17 |
|
[SO4]B:1213 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
13 |
5 |
8411 |
82.6 |
-12.7 |
0.839 |
5 |
0 |
0 |
0.093 |
| 13 |
18 |
|
[EDO]B:1216 |
4 |
1 |
183 |
◊ |
A |
x,y,z |
1_555 |
13 |
6 |
8490 |
81.1 |
2.6 |
0.475 |
0 |
0 |
0 |
0.000 |
| 14 |
19 |
|
[SO4]A:1213 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
14 |
5 |
8490 |
80.9 |
-12.3 |
0.834 |
5 |
0 |
0 |
0.091 |
| 15 |
20 |
|
[SO4]B:1210 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
12 |
5 |
8411 |
80.8 |
-11.3 |
0.897 |
5 |
0 |
0 |
0.084 |
| 16 |
21 |
|
[SO4]A:1210 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
12 |
5 |
8490 |
80.5 |
-11.5 |
0.894 |
4 |
0 |
0 |
0.083 |
| 17 |
22 |
|
[EDO]B:1215 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
17 |
7 |
8490 |
71.5 |
1.4 |
0.273 |
0 |
0 |
0 |
0.000 |
| 18 |
23 |
|
[EDO]B:1216 |
4 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
14 |
5 |
8411 |
65.6 |
1.3 |
0.816 |
2 |
0 |
0 |
0.000 |
| 19 |
24 |
|
[CL]B:1214 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
10 |
5 |
8411 |
59.2 |
-8.6 |
0.000 |
0 |
0 |
0 |
0.054 |
| 20 |
25 |
|
[SO4]B:1210 |
5 |
1 |
185 |
◊ |
B |
-y,x-y,z+1/3 |
2_555 |
6 |
2 |
8411 |
55.3 |
-7.1 |
0.872 |
1 |
0 |
0 |
0.000 |
| 21 |
26 |
|
A |
5 |
2 |
8490 |
◊ |
[SO4]A:1210 |
-y,x-y-1,z+1/3 |
2_545 |
4 |
1 |
186 |
34.9 |
-4.4 |
0.731 |
0 |
0 |
0 |
0.000 |
| 22 |
27 |
|
[SO4]B:1212 |
3 |
1 |
187 |
◊ |
A |
x,y,z |
1_555 |
5 |
2 |
8490 |
32.2 |
-3.3 |
0.954 |
1 |
0 |
0 |
0.024 |
| 23 |
28 |
|
[SO4]A:1212 |
3 |
1 |
186 |
◊ |
B |
x,y,z |
1_555 |
4 |
2 |
8411 |
30.8 |
-3.2 |
0.961 |
1 |
0 |
0 |
0.022 |
| 24 |
29 |
|
[CL]B:1214 |
1 |
1 |
125 |
◊ |
A |
-y,x-y,z+1/3 |
2_555 |
2 |
1 |
8490 |
20.2 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.000 |
| 25 |
30 |
|
[SO4]B:1212 |
1 |
1 |
187 |
◊ |
[SO4]A:1212 |
x,y,z |
1_555 |
1 |
1 |
186 |
13.0 |
-3.1 |
0.800 |
0 |
0 |
0 |
0.019 |
| 26 |
31 |
|
[K5Q]B:1217 |
2 |
1 |
592 |
◊ |
A |
-y,x-y-1,z+1/3 |
2_545 |
1 |
1 |
8490 |
8.3 |
-0.4 |
0.337 |
0 |
0 |
0 |
0.000 |
| 27 |
32 |
|
B |
2 |
1 |
8411 |
◊ |
[SO4]A:1213 |
-y,x-y-1,z+1/3 |
2_545 |
1 |
1 |
185 |
7.7 |
-1.1 |
0.605 |
0 |
0 |
0 |
0.000 |
| 28 |
33 |
|
[SO4]B:1213 |
1 |
1 |
186 |
◊ |
A |
-y,x-y,z+1/3 |
2_555 |
2 |
1 |
8490 |
6.7 |
-0.9 |
0.622 |
0 |
0 |
0 |
0.000 |
|