## |
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 |
178 |
51 |
17808 |
◊ |
A |
x,y,z |
1_555 |
197 |
64 |
11271 |
1809.0 |
-26.6 |
0.035 |
22 |
11 |
0 |
0.491 |
2 |
|
E |
182 |
54 |
17581 |
◊ |
D |
x,y,z |
1_555 |
191 |
62 |
11274 |
1799.6 |
-25.8 |
0.041 |
19 |
10 |
0 |
0.491 |
Average: |
1804.3 |
-26.2 |
0.038 |
21 |
11 |
0 |
0.491 |
2 |
3 |
|
E |
86 |
28 |
17581 |
◊ |
B |
x,y,z |
1_555 |
90 |
30 |
17808 |
813.2 |
4.0 |
0.912 |
12 |
6 |
0 |
0.001 |
3 |
4 |
|
[COA]A:1300 |
43 |
1 |
986 |
f |
A |
x,y,z |
1_555 |
82 |
29 |
11271 |
587.4 |
-0.5 |
0.465 |
9 |
0 |
0 |
0.100 |
5 |
|
[COA]D:1301 |
43 |
1 |
983 |
f |
D |
x,y,z |
1_555 |
82 |
30 |
11274 |
582.9 |
-0.3 |
0.476 |
10 |
0 |
0 |
0.100 |
Average: |
585.1 |
-0.4 |
0.471 |
10 |
0 |
0 |
0.100 |
4 |
6 |
|
B |
51 |
10 |
17808 |
◊ |
A |
y,x,-z+1/4 |
7_555 |
59 |
15 |
11271 |
525.1 |
-6.6 |
0.189 |
6 |
5 |
0 |
0.115 |
7 |
|
E |
53 |
11 |
17581 |
◊ |
D |
y,x,-z+1/4 |
7_555 |
60 |
15 |
11274 |
523.7 |
-6.6 |
0.197 |
6 |
5 |
0 |
0.115 |
Average: |
524.4 |
-6.6 |
0.193 |
6 |
5 |
0 |
0.115 |
5 |
8 |
|
E |
41 |
13 |
17581 |
◊ |
B |
x,-y+1,-z+1/2 |
6_565 |
42 |
14 |
17808 |
356.6 |
-1.3 |
0.558 |
7 |
1 |
0 |
0.000 |
6 |
9 |
|
E |
27 |
9 |
17581 |
◊ |
A |
y-1,x,-z+1/4 |
7_455 |
40 |
15 |
11271 |
273.4 |
-4.1 |
0.279 |
1 |
1 |
0 |
0.000 |
7 |
10 |
|
B |
32 |
11 |
17808 |
◊ |
B |
x,-y+1,-z+1/2 |
6_565 |
32 |
11 |
17808 |
258.7 |
-1.5 |
0.524 |
2 |
0 |
0 |
0.000 |
8 |
11 |
|
D |
26 |
11 |
11274 |
◊ |
B |
x,y-1,z |
1_545 |
22 |
5 |
17808 |
220.0 |
-1.0 |
0.554 |
2 |
0 |
0 |
0.000 |
9 |
12 |
|
[COA]A:1300 |
22 |
1 |
986 |
◊ |
E |
x,y,z |
1_555 |
20 |
5 |
17581 |
195.2 |
-0.5 |
0.474 |
5 |
0 |
0 |
0.003 |
13 |
|
[COA]D:1301 |
21 |
1 |
983 |
◊ |
B |
x,y,z |
1_555 |
21 |
5 |
17808 |
192.3 |
-0.8 |
0.456 |
5 |
0 |
0 |
0.003 |
Average: |
193.8 |
-0.6 |
0.465 |
5 |
0 |
0 |
0.003 |
10 |
14 |
|
[COA]E:1325 |
13 |
1 |
526 |
f |
E |
x,y,z |
1_555 |
20 |
10 |
17581 |
194.8 |
0.9 |
0.358 |
4 |
0 |
0 |
0.012 |
11 |
15 |
|
[COA]B:1325 |
13 |
1 |
526 |
f |
B |
x,y,z |
1_555 |
20 |
10 |
17808 |
193.8 |
1.0 |
0.361 |
4 |
0 |
0 |
0.009 |
12 |
16 |
|
E |
21 |
6 |
17581 |
◊ |
A |
x,y,z |
1_555 |
21 |
9 |
11271 |
180.4 |
0.4 |
0.618 |
2 |
2 |
0 |
0.000 |
17 |
|
B |
21 |
6 |
17808 |
◊ |
D |
x,y,z |
1_555 |
24 |
10 |
11274 |
178.2 |
0.4 |
0.661 |
2 |
2 |
0 |
0.000 |
Average: |
179.3 |
0.4 |
0.640 |
2 |
2 |
0 |
0.001 |
13 |
18 |
|
[COA]B:1025 |
14 |
1 |
516 |
f |
B |
x,y,z |
1_555 |
25 |
7 |
17808 |
179.2 |
0.1 |
0.286 |
2 |
0 |
0 |
0.011 |
19 |
|
[COA]E:1025 |
14 |
1 |
515 |
f |
E |
x,y,z |
1_555 |
23 |
7 |
17581 |
176.5 |
0.0 |
0.274 |
2 |
0 |
0 |
0.011 |
Average: |
177.8 |
0.1 |
0.280 |
2 |
0 |
0 |
0.011 |
14 |
20 |
|
[SO4]E:1401 |
5 |
1 |
187 |
f |
E |
x,y,z |
1_555 |
17 |
9 |
17581 |
105.9 |
-17.1 |
0.655 |
7 |
0 |
0 |
0.255 |
15 |
21 |
|
[SO4]B:1400 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
15 |
9 |
17808 |
98.7 |
-15.0 |
0.826 |
6 |
0 |
0 |
0.229 |
16 |
22 |
|
E |
8 |
2 |
17581 |
◊ |
E |
y,x,-z+1/4 |
7_555 |
8 |
2 |
17581 |
89.1 |
-1.9 |
0.178 |
0 |
0 |
0 |
0.011 |
23 |
|
B |
9 |
2 |
17808 |
◊ |
B |
y,x,-z+1/4 |
7_555 |
9 |
2 |
17808 |
88.8 |
-1.9 |
0.203 |
0 |
0 |
0 |
0.011 |
Average: |
89.0 |
-1.9 |
0.190 |
0 |
0 |
0 |
0.011 |
17 |
24 |
|
[SO4]E:1501 |
5 |
1 |
186 |
f |
E |
x,y,z |
1_555 |
9 |
4 |
17581 |
74.8 |
-10.6 |
0.776 |
1 |
0 |
0 |
0.139 |
18 |
25 |
|
[SO4]A:1500 |
5 |
1 |
187 |
f |
B |
x,y,z |
1_555 |
6 |
4 |
17808 |
72.3 |
-9.6 |
0.821 |
2 |
0 |
0 |
0.136 |
19 |
26 |
|
[COA]E:1025 |
12 |
1 |
515 |
◊ |
B |
x,y,z |
1_555 |
9 |
3 |
17808 |
66.1 |
0.5 |
0.249 |
0 |
0 |
0 |
0.000 |
27 |
|
[COA]B:1025 |
10 |
1 |
516 |
◊ |
E |
x,y,z |
1_555 |
9 |
3 |
17581 |
61.6 |
0.6 |
0.285 |
0 |
0 |
0 |
0.000 |
Average: |
63.9 |
0.5 |
0.267 |
0 |
0 |
0 |
0.000 |
20 |
28 |
|
[COA]B:1025 |
7 |
1 |
516 |
◊ |
D |
x,y,z |
1_555 |
4 |
2 |
11274 |
48.1 |
0.4 |
0.197 |
0 |
0 |
0 |
0.000 |
29 |
|
[COA]E:1025 |
7 |
1 |
515 |
◊ |
A |
x,y,z |
1_555 |
4 |
2 |
11271 |
47.6 |
0.4 |
0.198 |
0 |
0 |
0 |
0.000 |
Average: |
47.9 |
0.4 |
0.197 |
0 |
0 |
0 |
0.000 |
21 |
30 |
|
[COA]B:1325 |
7 |
1 |
526 |
◊ |
A |
x,y,z |
1_555 |
7 |
3 |
11271 |
47.0 |
0.3 |
0.356 |
0 |
0 |
0 |
0.000 |
22 |
31 |
|
D |
5 |
1 |
11274 |
◊ |
D |
y,x,-z+1/4 |
7_555 |
5 |
1 |
11274 |
46.8 |
-0.3 |
0.585 |
0 |
0 |
0 |
0.001 |
32 |
|
A |
5 |
1 |
11271 |
◊ |
A |
y,x,-z+1/4 |
7_555 |
5 |
1 |
11271 |
43.3 |
-0.2 |
0.595 |
0 |
0 |
0 |
0.001 |
Average: |
45.0 |
-0.2 |
0.590 |
0 |
0 |
0 |
0.001 |
23 |
33 |
|
[COA]E:1325 |
6 |
1 |
526 |
◊ |
D |
x,y,z |
1_555 |
7 |
3 |
11274 |
45.0 |
-0.7 |
0.217 |
0 |
0 |
0 |
0.009 |
24 |
34 |
|
[SO4]A:1500 |
4 |
1 |
187 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
11271 |
42.1 |
-4.1 |
0.974 |
3 |
0 |
0 |
0.070 |
25 |
35 |
|
[SO4]E:1501 |
3 |
1 |
186 |
◊ |
D |
x,y,z |
1_555 |
3 |
1 |
11274 |
41.6 |
-3.8 |
0.971 |
3 |
0 |
0 |
0.065 |
26 |
36 |
|
E |
6 |
3 |
17581 |
◊ |
D |
x,-y,-z+1/2 |
6_555 |
6 |
5 |
11274 |
31.9 |
-0.1 |
0.576 |
0 |
0 |
0 |
0.000 |
27 |
37 |
|
[COA]D:1301 |
3 |
1 |
983 |
◊ |
E |
y,x,-z+1/4 |
7_555 |
3 |
1 |
17581 |
28.4 |
1.1 |
0.725 |
0 |
0 |
0 |
0.000 |
38 |
|
[COA]A:1300 |
3 |
1 |
986 |
◊ |
B |
y,x,-z+1/4 |
7_555 |
3 |
1 |
17808 |
27.7 |
1.1 |
0.727 |
0 |
0 |
0 |
0.000 |
Average: |
28.1 |
1.1 |
0.726 |
0 |
0 |
0 |
0.000 |
28 |
39 |
|
D |
4 |
2 |
11274 |
◊ |
[COA]B:1325 |
x,y-1,z |
1_545 |
1 |
1 |
526 |
18.6 |
0.8 |
0.706 |
0 |
0 |
0 |
0.000 |
|