## |
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 |
152 |
39 |
8440 |
◊ |
A |
x,y,z |
1_555 |
151 |
39 |
8555 |
1329.8 |
-16.1 |
0.271 |
20 |
2 |
0 |
0.210 |
2 |
2 |
|
A |
50 |
13 |
8555 |
x |
A |
-y+1,x-y-1,z+1/3 |
2_645 |
53 |
17 |
8555 |
443.6 |
-5.9 |
0.363 |
5 |
0 |
0 |
0.000 |
3 |
|
B |
51 |
19 |
8440 |
x |
B |
-y+2,x-y,z+1/3 |
2_755 |
48 |
12 |
8440 |
395.6 |
-5.1 |
0.395 |
4 |
0 |
0 |
0.000 |
Average: |
419.6 |
-5.5 |
0.379 |
5 |
0 |
0 |
0.000 |
3 |
4 |
|
B |
26 |
8 |
8440 |
◊ |
A |
-y+1,x-y-1,z+1/3 |
2_645 |
23 |
10 |
8555 |
252.3 |
-2.2 |
0.333 |
1 |
0 |
0 |
0.000 |
5 |
|
B |
22 |
10 |
8440 |
◊ |
A |
-y+2,x-y,z+1/3 |
2_755 |
25 |
8 |
8555 |
249.7 |
-3.5 |
0.241 |
1 |
0 |
0 |
0.000 |
Average: |
251.0 |
-2.9 |
0.287 |
1 |
0 |
0 |
0.000 |
4 |
6 |
|
[NZL]B:1214 |
23 |
1 |
638 |
f |
B |
x,y,z |
1_555 |
28 |
9 |
8440 |
224.5 |
-1.4 |
0.383 |
6 |
0 |
0 |
0.070 |
7 |
|
[NZL]A:1215 |
24 |
1 |
636 |
f |
A |
x,y,z |
1_555 |
28 |
8 |
8555 |
222.4 |
-1.6 |
0.352 |
6 |
0 |
0 |
0.070 |
Average: |
223.5 |
-1.5 |
0.368 |
6 |
0 |
0 |
0.070 |
5 |
8 |
|
[NZL]B:1214 |
21 |
1 |
638 |
◊ |
A |
x,y,z |
1_555 |
36 |
10 |
8555 |
202.8 |
1.5 |
0.562 |
0 |
0 |
0 |
0.000 |
9 |
|
[NZL]A:1215 |
18 |
1 |
636 |
◊ |
B |
x,y,z |
1_555 |
38 |
10 |
8440 |
199.4 |
1.3 |
0.565 |
0 |
0 |
0 |
0.000 |
Average: |
201.1 |
1.4 |
0.563 |
0 |
0 |
0 |
0.000 |
6 |
10 |
|
A |
9 |
3 |
8555 |
◊ |
B |
-y+1,x-y-1,z-2/3 |
2_644 |
12 |
4 |
8440 |
106.9 |
-1.4 |
0.378 |
0 |
0 |
0 |
0.000 |
11 |
|
A |
12 |
4 |
8555 |
◊ |
B |
-y+2,x-y,z-2/3 |
2_754 |
10 |
3 |
8440 |
103.4 |
-1.4 |
0.391 |
0 |
0 |
0 |
0.000 |
Average: |
105.1 |
-1.4 |
0.385 |
0 |
0 |
0 |
0.000 |
7 |
12 |
|
[SO4]B:1211 |
5 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
14 |
7 |
8440 |
100.1 |
-12.5 |
0.949 |
5 |
0 |
0 |
0.122 |
8 |
13 |
|
[SO4]A:1212 |
5 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
12 |
7 |
8555 |
99.9 |
-13.5 |
0.882 |
3 |
0 |
0 |
0.124 |
9 |
14 |
|
[ACT]A:1214 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
17 |
7 |
8555 |
82.7 |
-0.9 |
0.600 |
0 |
0 |
0 |
0.008 |
10 |
15 |
|
[ACT]B:1213 |
4 |
1 |
182 |
f |
B |
x,y,z |
1_555 |
15 |
6 |
8440 |
81.9 |
-1.0 |
0.593 |
1 |
0 |
0 |
0.012 |
11 |
16 |
|
[SO4]B:1212 |
5 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
14 |
5 |
8440 |
80.8 |
-12.2 |
0.825 |
7 |
0 |
0 |
0.127 |
12 |
17 |
|
[SO4]A:1213 |
5 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
12 |
5 |
8555 |
80.0 |
-12.1 |
0.820 |
6 |
0 |
0 |
0.123 |
13 |
18 |
|
[SO4]B:1210 |
5 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
12 |
5 |
8440 |
79.1 |
-11.3 |
0.892 |
5 |
0 |
0 |
0.112 |
14 |
19 |
|
[SO4]A:1211 |
5 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
12 |
5 |
8555 |
78.4 |
-11.1 |
0.889 |
5 |
0 |
0 |
0.111 |
15 |
20 |
|
[ACT]A:1214 |
4 |
1 |
183 |
◊ |
B |
x,y,z |
1_555 |
14 |
5 |
8440 |
67.3 |
-0.3 |
0.704 |
0 |
0 |
0 |
0.003 |
16 |
21 |
|
[ACT]B:1213 |
4 |
1 |
182 |
◊ |
A |
x,y,z |
1_555 |
14 |
5 |
8555 |
65.7 |
-0.2 |
0.751 |
0 |
0 |
0 |
0.002 |
17 |
22 |
|
[SO4]B:1210 |
5 |
1 |
184 |
◊ |
B |
-y+2,x-y,z+1/3 |
2_755 |
5 |
2 |
8440 |
57.7 |
-7.4 |
0.863 |
2 |
0 |
0 |
0.000 |
18 |
23 |
|
A |
5 |
2 |
8555 |
◊ |
[SO4]A:1211 |
-y+1,x-y-1,z+1/3 |
2_645 |
5 |
1 |
183 |
39.7 |
-5.1 |
0.628 |
0 |
0 |
0 |
0.000 |
19 |
24 |
|
[NZL]A:1215 |
1 |
1 |
636 |
◊ |
B |
-y+2,x-y,z-2/3 |
2_754 |
2 |
1 |
8440 |
13.2 |
0.3 |
0.709 |
0 |
0 |
0 |
0.000 |
25 |
|
A |
1 |
1 |
8555 |
◊ |
[NZL]B:1214 |
-y+1,x-y-1,z-2/3 |
2_644 |
2 |
1 |
638 |
11.2 |
0.2 |
0.625 |
0 |
0 |
0 |
0.000 |
Average: |
12.2 |
0.2 |
0.667 |
0 |
0 |
0 |
0.000 |
20 |
26 |
|
[SO4]B:1212 |
2 |
1 |
184 |
◊ |
A |
-y+2,x-y,z+1/3 |
2_755 |
3 |
2 |
8555 |
10.1 |
-1.2 |
0.821 |
0 |
0 |
0 |
0.000 |
21 |
27 |
|
B |
2 |
2 |
8440 |
◊ |
[SO4]A:1213 |
-y+1,x-y-1,z+1/3 |
2_645 |
1 |
1 |
184 |
7.4 |
-1.0 |
0.639 |
0 |
0 |
0 |
0.000 |
22 |
28 |
|
[NZL]B:1214 |
1 |
1 |
638 |
◊ |
A |
-y+1,x-y-1,z+1/3 |
2_645 |
1 |
1 |
8555 |
5.9 |
-0.2 |
0.350 |
0 |
0 |
0 |
0.000 |
29 |
|
B |
1 |
1 |
8440 |
◊ |
[NZL]A:1215 |
-y+2,x-y,z+1/3 |
2_755 |
1 |
1 |
636 |
4.5 |
-0.1 |
0.411 |
0 |
0 |
0 |
0.000 |
Average: |
5.2 |
-0.2 |
0.380 |
0 |
0 |
0 |
0.000 |
|