## |
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 |
159 |
43 |
8431 |
◊ |
A |
x,y,z |
1_555 |
155 |
42 |
8447 |
1376.7 |
-16.5 |
0.338 |
21 |
3 |
0 |
0.154 |
2 |
2 |
|
A |
54 |
17 |
8447 |
x |
A |
-y+1,x-y+1,z+1/3 |
2_665 |
46 |
12 |
8447 |
429.1 |
-6.1 |
0.289 |
4 |
0 |
0 |
0.000 |
3 |
|
B |
46 |
11 |
8431 |
x |
B |
-y,x-y,z+1/3 |
2_555 |
55 |
21 |
8431 |
419.8 |
-5.0 |
0.381 |
3 |
0 |
0 |
0.000 |
Average: |
424.5 |
-5.6 |
0.335 |
4 |
0 |
0 |
0.000 |
3 |
4 |
|
A |
21 |
9 |
8447 |
◊ |
B |
-y+1,x-y+1,z+1/3 |
2_665 |
23 |
7 |
8431 |
239.1 |
-2.7 |
0.311 |
2 |
0 |
0 |
0.000 |
5 |
|
A |
24 |
8 |
8447 |
◊ |
B |
-y,x-y,z+1/3 |
2_555 |
19 |
9 |
8431 |
237.4 |
-2.6 |
0.291 |
2 |
0 |
0 |
0.000 |
Average: |
238.3 |
-2.7 |
0.301 |
2 |
0 |
0 |
0.000 |
4 |
6 |
|
F |
20 |
6 |
980 |
◊ |
A |
x,y,z |
1_555 |
24 |
7 |
8447 |
220.6 |
-0.4 |
0.651 |
7 |
1 |
0 |
0.040 |
7 |
|
D |
20 |
6 |
983 |
◊ |
B |
x,y,z |
1_555 |
26 |
7 |
8431 |
219.9 |
-0.6 |
0.629 |
7 |
1 |
0 |
0.040 |
Average: |
220.3 |
-0.5 |
0.640 |
7 |
1 |
0 |
0.040 |
5 |
8 |
|
F |
19 |
4 |
980 |
◊ |
B |
x,y,z |
1_555 |
26 |
9 |
8431 |
194.7 |
-3.4 |
0.291 |
1 |
0 |
0 |
0.040 |
9 |
|
D |
18 |
4 |
983 |
◊ |
A |
x,y,z |
1_555 |
26 |
9 |
8447 |
187.2 |
-3.3 |
0.298 |
1 |
0 |
0 |
0.040 |
Average: |
191.0 |
-3.3 |
0.295 |
1 |
0 |
0 |
0.040 |
6 |
10 |
|
[SO4]B:3 |
5 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
15 |
7 |
8431 |
101.6 |
-14.1 |
0.807 |
2 |
0 |
0 |
0.088 |
7 |
11 |
|
[SO4]A:4 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
13 |
7 |
8447 |
99.9 |
-13.7 |
0.828 |
3 |
0 |
0 |
0.088 |
8 |
12 |
|
B |
12 |
4 |
8431 |
◊ |
A |
-y,x-y,z-2/3 |
2_554 |
12 |
4 |
8447 |
99.4 |
-1.2 |
0.428 |
0 |
0 |
0 |
0.000 |
13 |
|
B |
12 |
4 |
8431 |
◊ |
A |
-y+1,x-y+1,z-2/3 |
2_664 |
12 |
4 |
8447 |
98.2 |
-1.2 |
0.429 |
0 |
0 |
0 |
0.000 |
Average: |
98.8 |
-1.2 |
0.429 |
0 |
0 |
0 |
0.000 |
9 |
14 |
|
[SO4]B:8 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
19 |
7 |
8431 |
94.8 |
-14.7 |
0.756 |
1 |
0 |
0 |
0.089 |
10 |
15 |
|
[SO4]A:7 |
5 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
19 |
7 |
8447 |
93.8 |
-14.2 |
0.804 |
1 |
0 |
0 |
0.086 |
11 |
16 |
|
[SO4]A:6 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
14 |
5 |
8447 |
82.2 |
-11.8 |
0.842 |
6 |
0 |
0 |
0.085 |
12 |
17 |
|
[SO4]B:5 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
14 |
5 |
8431 |
81.9 |
-12.1 |
0.835 |
7 |
0 |
0 |
0.089 |
13 |
18 |
|
[SO4]A:2 |
5 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
12 |
5 |
8447 |
78.8 |
-10.7 |
0.896 |
4 |
0 |
0 |
0.073 |
14 |
19 |
|
F |
5 |
3 |
980 |
◊ |
B |
-y,x-y,z+1/3 |
2_555 |
8 |
3 |
8431 |
78.6 |
-1.7 |
0.233 |
0 |
0 |
0 |
0.000 |
20 |
|
A |
8 |
3 |
8447 |
◊ |
D |
-y+1,x-y+1,z+1/3 |
2_665 |
7 |
3 |
983 |
72.5 |
-1.9 |
0.247 |
0 |
0 |
0 |
0.000 |
Average: |
75.6 |
-1.8 |
0.240 |
0 |
0 |
0 |
0.000 |
15 |
21 |
|
[SO4]B:1 |
5 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
12 |
5 |
8431 |
77.6 |
-10.8 |
0.899 |
4 |
0 |
0 |
0.074 |
16 |
22 |
|
B |
5 |
2 |
8431 |
◊ |
[SO4]B:1 |
-y,x-y,z+1/3 |
2_555 |
5 |
1 |
184 |
61.8 |
-7.9 |
0.883 |
2 |
0 |
0 |
0.000 |
17 |
23 |
|
[CL]B:2 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
8 |
4 |
8431 |
58.5 |
-8.8 |
0.000 |
0 |
0 |
0 |
0.102 |
24 |
|
[CL]A:1 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
8 |
4 |
8447 |
58.0 |
-8.6 |
0.000 |
0 |
0 |
0 |
0.102 |
Average: |
58.2 |
-8.7 |
0.000 |
0 |
0 |
0 |
0.102 |
18 |
25 |
|
[SO4]A:2 |
5 |
1 |
184 |
◊ |
A |
-y+1,x-y+1,z+1/3 |
2_665 |
5 |
2 |
8447 |
48.3 |
-6.3 |
0.845 |
1 |
0 |
0 |
0.000 |
19 |
26 |
|
[SO4]B:8 |
3 |
1 |
186 |
◊ |
A |
x,y,z |
1_555 |
6 |
3 |
8447 |
35.0 |
-3.3 |
0.952 |
2 |
0 |
0 |
0.025 |
20 |
27 |
|
[SO4]A:7 |
3 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
6 |
3 |
8431 |
34.6 |
-3.2 |
0.952 |
2 |
0 |
0 |
0.024 |
21 |
28 |
|
[CL]A:1 |
1 |
1 |
125 |
◊ |
B |
-y+1,x-y+1,z+1/3 |
2_665 |
3 |
1 |
8431 |
23.1 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.000 |
29 |
|
A |
2 |
1 |
8447 |
◊ |
[CL]B:2 |
-y,x-y,z+1/3 |
2_555 |
1 |
1 |
125 |
18.7 |
-1.5 |
0.000 |
0 |
0 |
0 |
0.000 |
Average: |
20.9 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.000 |
22 |
30 |
|
[SO4]B:8 |
1 |
1 |
186 |
◊ |
[SO4]A:7 |
x,y,z |
1_555 |
1 |
1 |
184 |
16.1 |
-3.9 |
0.800 |
0 |
0 |
0 |
0.023 |
23 |
31 |
|
A |
1 |
1 |
8447 |
◊ |
[SO4]B:5 |
-y,x-y,z+1/3 |
2_555 |
2 |
1 |
186 |
12.8 |
-1.4 |
0.906 |
0 |
0 |
0 |
0.000 |
24 |
32 |
|
[SO4]A:6 |
2 |
1 |
185 |
◊ |
B |
-y+1,x-y+1,z+1/3 |
2_665 |
1 |
1 |
8431 |
12.6 |
-1.4 |
0.903 |
0 |
0 |
0 |
0.000 |
25 |
33 |
|
[SO4]B:5 |
1 |
1 |
186 |
◊ |
F |
x,y,z |
1_555 |
2 |
1 |
980 |
11.6 |
-1.6 |
0.587 |
0 |
0 |
0 |
0.008 |
26 |
34 |
|
[SO4]A:6 |
1 |
1 |
185 |
◊ |
D |
x,y,z |
1_555 |
1 |
1 |
983 |
11.6 |
-1.6 |
0.502 |
0 |
0 |
0 |
0.009 |
27 |
35 |
|
B |
2 |
1 |
8431 |
◊ |
F |
-y,x-y,z-2/3 |
2_554 |
1 |
1 |
980 |
2.4 |
0.1 |
0.696 |
0 |
0 |
0 |
0.000 |
|