## |
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 |
|
I |
188 |
52 |
18008 |
◊ |
H |
x,y,z |
1_555 |
197 |
62 |
11807 |
1834.6 |
-27.1 |
0.026 |
22 |
9 |
0 |
0.507 |
2 |
|
G |
185 |
51 |
18020 |
◊ |
F |
x,y,z |
1_555 |
196 |
62 |
11814 |
1828.1 |
-26.9 |
0.027 |
20 |
8 |
0 |
0.507 |
3 |
|
E |
185 |
51 |
18008 |
◊ |
D |
x,y,z |
1_555 |
196 |
62 |
11815 |
1818.5 |
-27.2 |
0.025 |
18 |
8 |
0 |
0.507 |
4 |
|
B |
184 |
50 |
18010 |
◊ |
A |
x,y,z |
1_555 |
192 |
62 |
11819 |
1803.3 |
-27.9 |
0.019 |
19 |
8 |
0 |
0.507 |
Average: |
1821.1 |
-27.3 |
0.024 |
20 |
8 |
0 |
0.507 |
2 |
5 |
|
I |
91 |
30 |
18008 |
◊ |
G |
x,y,z |
1_555 |
94 |
31 |
18020 |
889.2 |
4.9 |
0.932 |
8 |
10 |
0 |
0.000 |
6 |
|
E |
94 |
31 |
18008 |
◊ |
B |
x,y,z |
1_555 |
94 |
30 |
18010 |
886.1 |
4.6 |
0.925 |
9 |
11 |
0 |
0.000 |
Average: |
887.7 |
4.7 |
0.928 |
9 |
11 |
0 |
0.000 |
3 |
7 |
|
[COA]F:400 |
45 |
1 |
995 |
f |
F |
x,y,z |
1_555 |
77 |
28 |
11814 |
585.5 |
-1.5 |
0.371 |
8 |
0 |
0 |
0.100 |
8 |
|
[COA]A:300 |
43 |
1 |
990 |
f |
A |
x,y,z |
1_555 |
81 |
28 |
11819 |
583.8 |
-1.7 |
0.399 |
11 |
0 |
0 |
0.100 |
9 |
|
[COA]H:401 |
43 |
1 |
987 |
f |
H |
x,y,z |
1_555 |
78 |
28 |
11807 |
582.1 |
-1.2 |
0.397 |
10 |
0 |
0 |
0.100 |
10 |
|
[COA]D:301 |
43 |
1 |
983 |
f |
D |
x,y,z |
1_555 |
78 |
28 |
11815 |
580.7 |
-1.4 |
0.393 |
10 |
0 |
0 |
0.100 |
Average: |
583.0 |
-1.4 |
0.390 |
10 |
0 |
0 |
0.100 |
4 |
11 |
|
B |
53 |
11 |
18010 |
◊ |
F |
x,y,z |
1_555 |
65 |
16 |
11814 |
556.0 |
-6.5 |
0.209 |
7 |
5 |
0 |
0.123 |
12 |
|
I |
52 |
10 |
18008 |
◊ |
D |
x,y,z |
1_555 |
64 |
16 |
11815 |
544.3 |
-6.4 |
0.215 |
6 |
5 |
0 |
0.123 |
13 |
|
G |
51 |
10 |
18020 |
◊ |
A |
x,y,z |
1_555 |
63 |
16 |
11819 |
530.7 |
-7.2 |
0.127 |
6 |
5 |
0 |
0.123 |
14 |
|
E |
50 |
10 |
18008 |
◊ |
H |
x,y,z |
1_555 |
60 |
16 |
11807 |
518.2 |
-6.8 |
0.141 |
6 |
5 |
0 |
0.123 |
Average: |
537.3 |
-6.7 |
0.173 |
6 |
5 |
0 |
0.123 |
5 |
15 |
|
I |
40 |
12 |
18008 |
◊ |
E |
-x+1,y-1/2,-z+3/2 |
3_646 |
33 |
13 |
18008 |
293.7 |
-4.6 |
0.216 |
1 |
0 |
0 |
0.000 |
6 |
16 |
|
E |
26 |
9 |
18008 |
◊ |
F |
x-1,y,z |
1_455 |
33 |
14 |
11814 |
272.9 |
-2.6 |
0.310 |
2 |
2 |
0 |
0.000 |
7 |
17 |
|
B |
24 |
9 |
18010 |
◊ |
F |
x-1/2,-y+1/2,-z+1 |
4_456 |
31 |
10 |
11814 |
249.9 |
0.3 |
0.739 |
3 |
3 |
0 |
0.000 |
8 |
18 |
|
H |
25 |
10 |
11807 |
◊ |
G |
x-1,y,z |
1_455 |
22 |
6 |
18020 |
216.7 |
-1.4 |
0.479 |
2 |
0 |
0 |
0.000 |
9 |
19 |
|
[COA]H:401 |
22 |
1 |
987 |
◊ |
G |
x,y,z |
1_555 |
25 |
5 |
18020 |
192.6 |
-1.2 |
0.457 |
4 |
0 |
0 |
0.003 |
20 |
|
[COA]F:400 |
20 |
1 |
995 |
◊ |
I |
x,y,z |
1_555 |
22 |
5 |
18008 |
185.2 |
-0.8 |
0.477 |
5 |
0 |
0 |
0.003 |
21 |
|
[COA]A:300 |
23 |
1 |
990 |
◊ |
E |
x,y,z |
1_555 |
22 |
5 |
18008 |
178.0 |
-0.7 |
0.488 |
5 |
0 |
0 |
0.003 |
22 |
|
[COA]D:301 |
20 |
1 |
983 |
◊ |
B |
x,y,z |
1_555 |
22 |
5 |
18010 |
177.2 |
-0.9 |
0.476 |
5 |
0 |
0 |
0.003 |
Average: |
183.3 |
-0.9 |
0.475 |
5 |
0 |
0 |
0.003 |
10 |
23 |
|
H |
23 |
8 |
11807 |
◊ |
B |
-x+1,y-1/2,-z+3/2 |
3_646 |
24 |
10 |
18010 |
189.8 |
0.1 |
0.681 |
1 |
1 |
0 |
0.000 |
11 |
24 |
|
G |
19 |
6 |
18020 |
◊ |
H |
x,y,z |
1_555 |
23 |
9 |
11807 |
185.7 |
0.9 |
0.689 |
3 |
2 |
0 |
0.001 |
25 |
|
B |
19 |
6 |
18010 |
◊ |
D |
x,y,z |
1_555 |
21 |
9 |
11815 |
182.1 |
0.7 |
0.671 |
4 |
2 |
0 |
0.001 |
26 |
|
I |
20 |
7 |
18008 |
◊ |
F |
x,y,z |
1_555 |
22 |
9 |
11814 |
179.9 |
0.8 |
0.687 |
3 |
2 |
0 |
0.001 |
27 |
|
E |
18 |
6 |
18008 |
◊ |
A |
x,y,z |
1_555 |
21 |
9 |
11819 |
177.4 |
0.7 |
0.681 |
3 |
2 |
0 |
0.001 |
Average: |
181.3 |
0.8 |
0.682 |
3 |
2 |
0 |
0.001 |
12 |
28 |
|
I |
23 |
8 |
18008 |
◊ |
B |
-x+1,y-1/2,-z+3/2 |
3_646 |
19 |
7 |
18010 |
167.9 |
-1.0 |
0.522 |
0 |
0 |
0 |
0.000 |
13 |
29 |
|
[SO4]B:389 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
18 |
9 |
18010 |
99.9 |
-14.8 |
0.821 |
4 |
0 |
0 |
0.217 |
14 |
30 |
|
[SO4]I:389 |
5 |
1 |
186 |
f |
I |
x,y,z |
1_555 |
15 |
7 |
18008 |
97.5 |
-14.8 |
0.827 |
3 |
0 |
0 |
0.214 |
15 |
31 |
|
[SO4]G:389 |
5 |
1 |
186 |
f |
G |
x,y,z |
1_555 |
15 |
8 |
18020 |
96.7 |
-14.5 |
0.819 |
4 |
0 |
0 |
0.224 |
16 |
32 |
|
[SO4]E:389 |
5 |
1 |
185 |
f |
E |
x,y,z |
1_555 |
16 |
9 |
18008 |
96.5 |
-14.7 |
0.825 |
3 |
0 |
0 |
0.219 |
17 |
33 |
|
I |
8 |
2 |
18008 |
◊ |
E |
x,y,z |
1_555 |
8 |
2 |
18008 |
89.3 |
-1.9 |
0.177 |
0 |
0 |
0 |
0.011 |
34 |
|
G |
8 |
2 |
18020 |
◊ |
B |
x,y,z |
1_555 |
8 |
2 |
18010 |
87.6 |
-1.8 |
0.182 |
0 |
0 |
0 |
0.011 |
Average: |
88.4 |
-1.9 |
0.179 |
0 |
0 |
0 |
0.011 |
18 |
35 |
|
[SO4]B:390 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
9 |
6 |
18010 |
75.4 |
-10.0 |
0.831 |
3 |
0 |
0 |
0.148 |
19 |
36 |
|
[SO4]G:390 |
5 |
1 |
187 |
f |
G |
x,y,z |
1_555 |
8 |
5 |
18020 |
74.7 |
-10.0 |
0.826 |
1 |
0 |
0 |
0.143 |
20 |
37 |
|
[SO4]I:390 |
5 |
1 |
186 |
f |
I |
x,y,z |
1_555 |
7 |
4 |
18008 |
74.3 |
-10.3 |
0.829 |
2 |
0 |
0 |
0.148 |
21 |
38 |
|
[SO4]E:390 |
5 |
1 |
185 |
f |
E |
x,y,z |
1_555 |
8 |
5 |
18008 |
72.9 |
-10.0 |
0.823 |
2 |
0 |
0 |
0.148 |
22 |
39 |
|
A |
6 |
1 |
11819 |
◊ |
F |
x-1/2,-y+1/2,-z+1 |
4_456 |
3 |
1 |
11814 |
38.2 |
-0.8 |
0.328 |
0 |
0 |
0 |
0.000 |
23 |
40 |
|
[SO4]I:390 |
3 |
1 |
186 |
◊ |
H |
x,y,z |
1_555 |
2 |
1 |
11807 |
36.5 |
-3.5 |
0.971 |
2 |
0 |
0 |
0.058 |
24 |
41 |
|
[SO4]B:390 |
3 |
1 |
186 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
11819 |
36.1 |
-3.5 |
0.971 |
2 |
0 |
0 |
0.057 |
25 |
42 |
|
[SO4]G:390 |
3 |
1 |
187 |
◊ |
F |
x,y,z |
1_555 |
2 |
1 |
11814 |
35.7 |
-3.3 |
0.970 |
2 |
0 |
0 |
0.057 |
26 |
43 |
|
[SO4]E:390 |
3 |
1 |
185 |
◊ |
D |
x,y,z |
1_555 |
2 |
1 |
11815 |
34.2 |
-3.3 |
0.969 |
2 |
0 |
0 |
0.057 |
27 |
44 |
|
[COA]D:301 |
3 |
1 |
983 |
◊ |
I |
x,y,z |
1_555 |
3 |
1 |
18008 |
29.5 |
0.9 |
0.722 |
0 |
0 |
0 |
0.000 |
45 |
|
[COA]F:400 |
3 |
1 |
995 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
18010 |
29.1 |
0.9 |
0.706 |
0 |
0 |
0 |
0.000 |
46 |
|
[COA]A:300 |
3 |
1 |
990 |
◊ |
G |
x,y,z |
1_555 |
3 |
1 |
18020 |
24.8 |
0.7 |
0.675 |
0 |
0 |
0 |
0.000 |
47 |
|
[COA]H:401 |
3 |
1 |
987 |
◊ |
E |
x,y,z |
1_555 |
3 |
1 |
18008 |
24.4 |
0.7 |
0.672 |
0 |
0 |
0 |
0.000 |
Average: |
27.0 |
0.8 |
0.694 |
0 |
0 |
0 |
0.000 |
28 |
48 |
|
F |
4 |
2 |
11814 |
◊ |
A |
x,y,z |
1_555 |
4 |
2 |
11819 |
21.8 |
0.2 |
0.726 |
0 |
0 |
0 |
0.000 |
49 |
|
H |
3 |
2 |
11807 |
◊ |
D |
x,y,z |
1_555 |
4 |
2 |
11815 |
15.7 |
0.2 |
0.747 |
0 |
0 |
0 |
0.000 |
Average: |
18.7 |
0.2 |
0.736 |
0 |
0 |
0 |
0.000 |
29 |
50 |
|
D |
2 |
1 |
11815 |
◊ |
B |
-x+1,y-1/2,-z+3/2 |
3_646 |
1 |
1 |
18010 |
4.9 |
-0.2 |
0.406 |
0 |
0 |
0 |
0.000 |
|