## |
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 |
161 |
41 |
6445 |
◊ |
A |
x,y,z |
1_555 |
155 |
37 |
5492 |
1515.0 |
-23.8 |
0.088 |
14 |
2 |
0 |
0.966 |
2 |
|
E |
169 |
41 |
6257 |
◊ |
D |
x,y,z |
1_555 |
147 |
33 |
5306 |
1495.1 |
-24.2 |
0.081 |
15 |
3 |
0 |
0.966 |
Average: |
1505.0 |
-24.0 |
0.084 |
15 |
3 |
0 |
0.966 |
2 |
3 |
|
C |
99 |
17 |
13618 |
◊ |
B |
x,y,z |
1_555 |
82 |
22 |
6445 |
811.1 |
-13.8 |
0.807 |
11 |
0 |
0 |
0.518 |
4 |
|
F |
92 |
16 |
13726 |
◊ |
E |
x,y,z |
1_555 |
84 |
23 |
6257 |
811.0 |
-14.5 |
0.773 |
14 |
0 |
0 |
0.518 |
Average: |
811.0 |
-14.1 |
0.790 |
13 |
0 |
0 |
0.518 |
3 |
5 |
|
C |
71 |
14 |
13618 |
◊ |
A |
x,y,z |
1_555 |
54 |
15 |
5492 |
559.4 |
-13.7 |
0.566 |
10 |
0 |
0 |
0.484 |
6 |
|
F |
66 |
14 |
13726 |
◊ |
D |
x,y,z |
1_555 |
54 |
15 |
5306 |
542.2 |
-13.5 |
0.560 |
8 |
0 |
0 |
0.484 |
Average: |
550.8 |
-13.6 |
0.563 |
9 |
0 |
0 |
0.484 |
4 |
7 |
|
B |
50 |
14 |
6445 |
◊ |
C |
x-1/2,y+1/2,z |
3_455 |
62 |
14 |
13618 |
508.7 |
-10.0 |
0.714 |
3 |
0 |
0 |
0.131 |
5 |
8 |
|
F |
42 |
11 |
13726 |
◊ |
E |
x-1/2,y-1/2,z |
3_445 |
31 |
10 |
6257 |
338.4 |
-9.7 |
0.433 |
1 |
0 |
0 |
0.161 |
6 |
9 |
|
F |
35 |
8 |
13726 |
◊ |
C |
x,y,z |
1_555 |
33 |
8 |
13618 |
296.0 |
4.2 |
0.991 |
4 |
0 |
0 |
0.000 |
7 |
10 |
|
A |
35 |
9 |
5492 |
◊ |
C |
x-1/2,y+1/2,z |
3_455 |
38 |
10 |
13618 |
294.2 |
-6.3 |
0.649 |
1 |
0 |
0 |
0.079 |
11 |
|
F |
19 |
6 |
13726 |
◊ |
D |
x-1/2,y-1/2,z |
3_445 |
14 |
5 |
5306 |
138.1 |
-2.4 |
0.685 |
0 |
0 |
0 |
0.079 |
Average: |
216.2 |
-4.3 |
0.667 |
1 |
0 |
0 |
0.079 |
8 |
12 |
|
[GDP]C:1 |
23 |
1 |
557 |
cf |
C |
x,y,z |
1_555 |
42 |
7 |
13618 |
274.8 |
0.6 |
0.958 |
2 |
0 |
0 |
0.005 |
9 |
13 |
|
[GDP]F:1 |
26 |
1 |
547 |
cf |
F |
x,y,z |
1_555 |
45 |
6 |
13726 |
267.6 |
0.9 |
0.969 |
2 |
0 |
0 |
0.000 |
10 |
14 |
|
F |
20 |
4 |
13726 |
x |
F |
-x+3/2,y-1/2,-z+1 |
4_646 |
31 |
7 |
13726 |
214.3 |
-2.1 |
0.888 |
1 |
0 |
0 |
0.000 |
15 |
|
C |
19 |
4 |
13618 |
x |
C |
-x+1/2,y-1/2,-z |
4_545 |
28 |
7 |
13618 |
171.1 |
-0.3 |
0.891 |
1 |
0 |
0 |
0.000 |
Average: |
192.7 |
-1.2 |
0.889 |
1 |
0 |
0 |
0.000 |
11 |
16 |
|
A |
21 |
8 |
5492 |
◊ |
D |
x-1/2,y+1/2,z |
3_455 |
21 |
6 |
5306 |
195.0 |
1.0 |
0.747 |
2 |
2 |
0 |
0.000 |
12 |
17 |
|
A |
22 |
9 |
5492 |
◊ |
E |
x-1/2,y+1/2,z |
3_455 |
24 |
7 |
6257 |
190.8 |
1.0 |
0.730 |
3 |
0 |
0 |
0.000 |
13 |
18 |
|
C |
24 |
7 |
13618 |
◊ |
D |
x-1/2,y-1/2,z |
3_445 |
18 |
6 |
5306 |
159.7 |
-1.2 |
0.797 |
0 |
0 |
0 |
0.000 |
14 |
19 |
|
[PEG]C:1051 |
7 |
1 |
260 |
◊ |
B |
x,y,z |
1_555 |
20 |
8 |
6445 |
135.5 |
2.7 |
0.348 |
1 |
0 |
0 |
0.000 |
15 |
20 |
|
C |
21 |
4 |
13618 |
x |
C |
x-1/2,y-1/2,z |
3_445 |
13 |
1 |
13618 |
131.4 |
1.3 |
0.911 |
0 |
0 |
0 |
0.000 |
16 |
21 |
|
B |
11 |
4 |
6445 |
◊ |
D |
x-1/2,y-1/2,z |
3_445 |
18 |
4 |
5306 |
130.1 |
-0.8 |
0.539 |
0 |
0 |
0 |
0.000 |
17 |
22 |
|
A |
15 |
4 |
5492 |
◊ |
F |
x-1/2,y+1/2,z |
3_455 |
18 |
6 |
13726 |
122.2 |
-0.8 |
0.780 |
1 |
0 |
0 |
0.000 |
18 |
23 |
|
C |
14 |
4 |
13618 |
◊ |
A |
x,y-1,z |
1_545 |
8 |
3 |
5492 |
105.8 |
-2.9 |
0.525 |
0 |
0 |
0 |
0.000 |
19 |
24 |
|
A |
8 |
4 |
5492 |
◊ |
D |
x-1/2,y-1/2,z |
3_445 |
8 |
2 |
5306 |
82.9 |
0.9 |
0.704 |
0 |
2 |
0 |
0.000 |
20 |
25 |
|
[SO4]F:1011 |
5 |
1 |
186 |
f |
F |
x,y,z |
1_555 |
12 |
4 |
13726 |
79.6 |
-10.3 |
0.927 |
2 |
0 |
0 |
0.317 |
21 |
26 |
|
B |
11 |
4 |
6445 |
◊ |
F |
x-1/2,y+1/2,z |
3_455 |
13 |
6 |
13726 |
77.1 |
-3.0 |
0.530 |
0 |
0 |
0 |
0.000 |
22 |
27 |
|
[SO4]C:1011 |
5 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
10 |
5 |
13618 |
75.0 |
-9.8 |
0.908 |
2 |
0 |
0 |
0.199 |
23 |
28 |
|
[ACT]F:1001 |
4 |
1 |
183 |
◊ |
F |
x,y,z |
1_555 |
10 |
2 |
13726 |
74.6 |
-0.0 |
0.818 |
0 |
0 |
0 |
0.000 |
24 |
29 |
|
[ACT]C:1001 |
4 |
1 |
183 |
◊ |
C |
x,y,z |
1_555 |
11 |
2 |
13618 |
74.1 |
0.1 |
0.824 |
0 |
0 |
0 |
0.000 |
25 |
30 |
|
F |
7 |
2 |
13726 |
◊ |
D |
x,y-1,z |
1_545 |
6 |
2 |
5306 |
66.0 |
-1.9 |
0.495 |
0 |
0 |
0 |
0.000 |
26 |
31 |
|
[ACT]C:1001 |
3 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
9 |
3 |
6445 |
62.4 |
-1.1 |
0.532 |
0 |
0 |
0 |
0.100 |
27 |
32 |
|
[ACT]F:1001 |
3 |
1 |
183 |
f |
E |
x,y,z |
1_555 |
9 |
3 |
6257 |
61.5 |
-1.1 |
0.524 |
0 |
0 |
0 |
0.100 |
28 |
33 |
|
[PEG]C:1051 |
6 |
1 |
260 |
f |
C |
x,y,z |
1_555 |
7 |
2 |
13618 |
57.9 |
-0.3 |
0.198 |
1 |
0 |
0 |
0.014 |
29 |
34 |
|
[MG]C:1101 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
11 |
5 |
13618 |
54.3 |
-9.4 |
0.000 |
0 |
0 |
0 |
0.174 |
30 |
35 |
|
[MG]C:1111 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
9 |
6 |
13618 |
50.5 |
-8.3 |
0.000 |
0 |
0 |
0 |
0.154 |
31 |
36 |
|
C |
8 |
3 |
13618 |
◊ |
E |
x-1/2,y-1/2,z |
3_445 |
7 |
2 |
6257 |
49.6 |
-1.2 |
0.506 |
0 |
0 |
0 |
0.000 |
32 |
37 |
|
[MG]C:1131 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
11 |
5 |
13618 |
46.5 |
-7.1 |
0.000 |
0 |
0 |
0 |
0.199 |
38 |
|
[MG]F:1131 |
1 |
1 |
98 |
f |
F |
x,y,z |
1_555 |
11 |
4 |
13726 |
45.9 |
-7.0 |
0.000 |
0 |
0 |
0 |
0.199 |
Average: |
46.2 |
-7.0 |
0.000 |
0 |
0 |
0 |
0.199 |
33 |
39 |
|
C |
6 |
3 |
13618 |
◊ |
D |
x,y,z |
1_555 |
6 |
3 |
5306 |
39.7 |
-0.9 |
0.560 |
0 |
0 |
0 |
0.000 |
34 |
40 |
|
F |
8 |
3 |
13726 |
x |
F |
x-1/2,y+1/2,z |
3_455 |
6 |
2 |
13726 |
37.1 |
-0.7 |
0.700 |
0 |
0 |
0 |
0.000 |
35 |
41 |
|
F |
2 |
1 |
13726 |
◊ |
[GDP]F:1 |
-x+3/2,y-1/2,-z+1 |
4_646 |
3 |
1 |
547 |
28.3 |
0.9 |
0.779 |
0 |
0 |
0 |
0.000 |
36 |
42 |
|
C |
1 |
1 |
13618 |
◊ |
[GDP]C:1 |
-x+1/2,y-1/2,-z |
4_545 |
3 |
1 |
557 |
23.3 |
0.7 |
0.788 |
0 |
0 |
0 |
0.000 |
37 |
43 |
|
[GDP]C:1 |
3 |
1 |
557 |
◊ |
C |
-x+1/2,y-1/2,-z |
4_545 |
4 |
2 |
13618 |
18.4 |
-1.9 |
0.444 |
0 |
0 |
0 |
0.000 |
38 |
44 |
|
[ACT]F:1001 |
1 |
1 |
183 |
◊ |
D |
x,y,z |
1_555 |
2 |
1 |
5306 |
16.9 |
-0.0 |
0.528 |
0 |
0 |
0 |
0.001 |
39 |
45 |
|
[ACT]C:1001 |
1 |
1 |
183 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
5492 |
16.7 |
-0.0 |
0.526 |
0 |
0 |
0 |
0.000 |
40 |
46 |
|
[GDP]F:1 |
4 |
1 |
547 |
◊ |
F |
-x+3/2,y-1/2,-z+1 |
4_646 |
2 |
2 |
13726 |
10.8 |
-1.1 |
0.444 |
0 |
0 |
0 |
0.000 |
41 |
47 |
|
B |
1 |
1 |
6445 |
◊ |
E |
x-1,y,z |
1_455 |
1 |
1 |
6257 |
9.2 |
-0.0 |
0.469 |
0 |
0 |
0 |
0.000 |
42 |
48 |
|
B |
2 |
1 |
6445 |
◊ |
D |
x-1,y,z |
1_455 |
2 |
1 |
5306 |
4.1 |
-0.0 |
0.609 |
0 |
0 |
0 |
0.000 |
43 |
49 |
|
F |
2 |
2 |
13726 |
◊ |
F |
-x+2,y,-z+1 |
2_756 |
2 |
2 |
13726 |
1.8 |
-0.2 |
0.457 |
0 |
0 |
0 |
0.000 |
|