## |
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 |
|
H |
143 |
42 |
8452 |
◊ |
F |
x,y,z |
1_555 |
143 |
44 |
8768 |
1513.4 |
-10.6 |
0.287 |
15 |
6 |
0 |
0.433 |
2 |
|
D |
144 |
42 |
8462 |
◊ |
B |
x,y,z |
1_555 |
142 |
44 |
8320 |
1513.3 |
-10.6 |
0.259 |
15 |
4 |
0 |
0.433 |
3 |
|
C |
138 |
41 |
8439 |
◊ |
A |
x,y,z |
1_555 |
137 |
42 |
8296 |
1505.3 |
-9.8 |
0.293 |
17 |
6 |
0 |
0.433 |
4 |
|
L |
137 |
41 |
8494 |
◊ |
J |
x,y,z |
1_555 |
139 |
42 |
8415 |
1497.7 |
-11.0 |
0.252 |
15 |
6 |
0 |
0.433 |
5 |
|
G |
135 |
41 |
8416 |
◊ |
E |
x,y,z |
1_555 |
140 |
42 |
8451 |
1491.8 |
-10.7 |
0.248 |
13 |
6 |
0 |
0.433 |
6 |
|
K |
141 |
42 |
8319 |
◊ |
I |
x,y,z |
1_555 |
139 |
41 |
8440 |
1487.7 |
-11.4 |
0.234 |
14 |
4 |
0 |
0.433 |
Average: |
1501.5 |
-10.7 |
0.262 |
15 |
5 |
0 |
0.433 |
2 |
7 |
|
J |
79 |
21 |
8415 |
◊ |
H |
x,y,z |
1_555 |
76 |
17 |
8452 |
705.6 |
-0.5 |
0.635 |
13 |
9 |
0 |
0.667 |
8 |
|
K |
78 |
17 |
8319 |
◊ |
D |
x,y,z |
1_555 |
80 |
21 |
8462 |
705.1 |
-0.8 |
0.606 |
12 |
9 |
0 |
0.667 |
9 |
|
F |
78 |
21 |
8768 |
◊ |
D |
x,y,z |
1_555 |
76 |
17 |
8462 |
703.9 |
0.1 |
0.704 |
14 |
11 |
0 |
0.667 |
10 |
|
J |
73 |
17 |
8415 |
◊ |
C |
x,y,z |
1_555 |
78 |
21 |
8439 |
702.4 |
-0.7 |
0.622 |
13 |
9 |
0 |
0.667 |
11 |
|
L |
80 |
21 |
8494 |
◊ |
G |
x,y,z |
1_555 |
75 |
17 |
8416 |
701.1 |
-0.8 |
0.634 |
13 |
9 |
0 |
0.667 |
12 |
|
E |
75 |
21 |
8451 |
◊ |
A |
x,y,z |
1_555 |
75 |
17 |
8296 |
701.0 |
-0.9 |
0.587 |
12 |
10 |
0 |
0.667 |
13 |
|
L |
75 |
17 |
8494 |
◊ |
B |
x,y,z |
1_555 |
78 |
21 |
8320 |
700.5 |
-0.8 |
0.615 |
12 |
9 |
0 |
0.667 |
14 |
|
K |
78 |
21 |
8319 |
◊ |
F |
x,y,z |
1_555 |
76 |
17 |
8768 |
700.2 |
-0.9 |
0.607 |
12 |
9 |
0 |
0.667 |
15 |
|
H |
78 |
21 |
8452 |
◊ |
C |
x,y,z |
1_555 |
73 |
17 |
8439 |
697.2 |
-0.9 |
0.590 |
13 |
9 |
0 |
0.667 |
16 |
|
G |
74 |
21 |
8416 |
◊ |
B |
x,y,z |
1_555 |
74 |
17 |
8320 |
694.7 |
-0.6 |
0.628 |
13 |
9 |
0 |
0.667 |
17 |
|
I |
76 |
21 |
8440 |
◊ |
E |
x,y,z |
1_555 |
72 |
17 |
8451 |
694.5 |
1.7 |
0.719 |
14 |
10 |
0 |
0.667 |
18 |
|
I |
75 |
17 |
8440 |
◊ |
A |
x,y,z |
1_555 |
77 |
20 |
8296 |
693.9 |
0.0 |
0.699 |
12 |
9 |
0 |
0.667 |
Average: |
700.0 |
-0.4 |
0.637 |
13 |
9 |
0 |
0.667 |
3 |
19 |
|
G |
46 |
12 |
8416 |
◊ |
D |
x,y,z |
1_555 |
42 |
11 |
8462 |
400.1 |
-4.9 |
0.246 |
4 |
0 |
0 |
0.170 |
20 |
|
K |
51 |
13 |
8319 |
◊ |
H |
x,y,z |
1_555 |
40 |
11 |
8452 |
396.6 |
-4.5 |
0.275 |
3 |
0 |
0 |
0.170 |
21 |
|
I |
41 |
11 |
8440 |
◊ |
D |
x,y,z |
1_555 |
50 |
13 |
8462 |
382.3 |
-4.6 |
0.268 |
4 |
0 |
0 |
0.170 |
22 |
|
F |
46 |
13 |
8768 |
◊ |
B |
x,y,z |
1_555 |
40 |
11 |
8320 |
380.0 |
-5.5 |
0.192 |
3 |
0 |
0 |
0.170 |
23 |
|
L |
41 |
11 |
8494 |
◊ |
C |
x,y,z |
1_555 |
49 |
13 |
8439 |
378.4 |
-5.2 |
0.221 |
3 |
0 |
0 |
0.170 |
24 |
|
I |
48 |
14 |
8440 |
◊ |
G |
x,y,z |
1_555 |
42 |
11 |
8416 |
377.3 |
-5.1 |
0.241 |
3 |
0 |
0 |
0.170 |
25 |
|
E |
45 |
11 |
8451 |
◊ |
C |
x,y,z |
1_555 |
41 |
11 |
8439 |
376.8 |
-5.3 |
0.193 |
3 |
0 |
0 |
0.170 |
26 |
|
K |
41 |
11 |
8319 |
◊ |
A |
x,y,z |
1_555 |
50 |
14 |
8296 |
376.5 |
-4.9 |
0.253 |
3 |
0 |
0 |
0.170 |
27 |
|
J |
47 |
13 |
8415 |
◊ |
F |
x,y,z |
1_555 |
42 |
11 |
8768 |
376.2 |
-5.3 |
0.227 |
3 |
0 |
0 |
0.170 |
28 |
|
J |
40 |
11 |
8415 |
◊ |
B |
x,y,z |
1_555 |
50 |
13 |
8320 |
375.5 |
-4.9 |
0.246 |
3 |
0 |
0 |
0.170 |
29 |
|
H |
48 |
13 |
8452 |
◊ |
A |
x,y,z |
1_555 |
41 |
11 |
8296 |
373.7 |
-5.2 |
0.226 |
3 |
0 |
0 |
0.170 |
30 |
|
L |
46 |
12 |
8494 |
◊ |
E |
x,y,z |
1_555 |
42 |
11 |
8451 |
372.3 |
-5.1 |
0.221 |
3 |
0 |
0 |
0.170 |
Average: |
380.5 |
-5.1 |
0.234 |
3 |
0 |
0 |
0.170 |
4 |
31 |
|
C |
22 |
8 |
8439 |
◊ |
G |
-x,y-1/2,-z+1/2 |
3_545 |
19 |
5 |
8416 |
212.5 |
2.3 |
0.845 |
1 |
2 |
0 |
0.000 |
5 |
32 |
|
G |
23 |
6 |
8416 |
◊ |
K |
x-1/2,-y+1/2,-z |
4_455 |
24 |
8 |
8319 |
201.8 |
1.8 |
0.696 |
4 |
2 |
0 |
0.000 |
6 |
33 |
|
C |
17 |
7 |
8439 |
◊ |
J |
-x+1,y-1/2,-z+1/2 |
3_645 |
20 |
9 |
8415 |
178.7 |
2.4 |
0.751 |
2 |
2 |
0 |
0.000 |
7 |
34 |
|
I |
20 |
8 |
8440 |
◊ |
H |
x-1/2,-y-1/2,-z |
4_445 |
18 |
6 |
8452 |
178.6 |
0.2 |
0.602 |
1 |
0 |
0 |
0.000 |
8 |
35 |
|
I |
17 |
7 |
8440 |
◊ |
D |
x-1/2,-y+1/2,-z |
4_455 |
19 |
7 |
8462 |
167.4 |
1.8 |
0.765 |
3 |
1 |
0 |
0.000 |
9 |
36 |
|
H |
23 |
9 |
8452 |
◊ |
L |
-x+1,y-1/2,-z+1/2 |
3_645 |
20 |
5 |
8494 |
163.9 |
-1.2 |
0.485 |
1 |
0 |
0 |
0.001 |
10 |
37 |
|
I |
21 |
7 |
8440 |
◊ |
F |
x-1/2,-y-1/2,-z |
4_445 |
15 |
6 |
8768 |
136.5 |
-1.1 |
0.493 |
1 |
0 |
0 |
0.000 |
11 |
38 |
|
H |
15 |
6 |
8452 |
◊ |
B |
-x+1,y-1/2,-z+1/2 |
3_645 |
16 |
5 |
8320 |
125.1 |
-0.3 |
0.552 |
0 |
0 |
0 |
0.000 |
12 |
39 |
|
A |
6 |
4 |
8296 |
◊ |
K |
x-1/2,-y-1/2,-z |
4_445 |
8 |
3 |
8319 |
77.8 |
1.7 |
0.866 |
1 |
1 |
0 |
0.000 |
13 |
40 |
|
[SO4]B:168 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
11 |
4 |
8320 |
73.1 |
-9.8 |
0.860 |
3 |
0 |
0 |
0.228 |
14 |
41 |
|
[SO4]G:168 |
4 |
1 |
185 |
f |
G |
x,y,z |
1_555 |
10 |
4 |
8416 |
73.0 |
-10.3 |
0.855 |
3 |
0 |
0 |
0.290 |
15 |
42 |
|
[SO4]F:168 |
4 |
1 |
186 |
f |
F |
x,y,z |
1_555 |
10 |
4 |
8768 |
71.9 |
-9.9 |
0.865 |
3 |
0 |
0 |
0.219 |
16 |
43 |
|
[SO4]I:168 |
5 |
1 |
186 |
f |
I |
x,y,z |
1_555 |
11 |
4 |
8440 |
71.7 |
-9.8 |
0.860 |
3 |
0 |
0 |
0.213 |
17 |
44 |
|
[SO4]A:168 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
11 |
4 |
8296 |
71.5 |
-9.9 |
0.855 |
3 |
0 |
0 |
0.229 |
18 |
45 |
|
[SO4]L:168 |
4 |
1 |
184 |
◊ |
J |
x,y,z |
1_555 |
10 |
4 |
8415 |
70.9 |
-9.5 |
0.867 |
3 |
0 |
0 |
0.242 |
19 |
46 |
|
[SO4]I:168 |
4 |
1 |
186 |
◊ |
K |
x,y,z |
1_555 |
10 |
4 |
8319 |
70.9 |
-9.5 |
0.870 |
3 |
0 |
0 |
0.207 |
20 |
47 |
|
[SO4]L:168 |
5 |
1 |
184 |
f |
L |
x,y,z |
1_555 |
10 |
3 |
8494 |
70.8 |
-9.7 |
0.874 |
3 |
0 |
0 |
0.245 |
21 |
48 |
|
[SO4]G:168 |
5 |
1 |
185 |
◊ |
E |
x,y,z |
1_555 |
10 |
3 |
8451 |
70.6 |
-9.8 |
0.848 |
3 |
0 |
0 |
0.277 |
22 |
49 |
|
[SO4]A:168 |
5 |
1 |
185 |
◊ |
C |
x,y,z |
1_555 |
9 |
3 |
8439 |
69.6 |
-9.7 |
0.862 |
2 |
0 |
0 |
0.216 |
23 |
50 |
|
[SO4]F:168 |
5 |
1 |
186 |
◊ |
H |
x,y,z |
1_555 |
10 |
4 |
8452 |
69.2 |
-9.3 |
0.862 |
3 |
0 |
0 |
0.207 |
24 |
51 |
|
[SO4]B:168 |
4 |
1 |
186 |
◊ |
D |
x,y,z |
1_555 |
9 |
3 |
8462 |
68.6 |
-9.3 |
0.873 |
3 |
0 |
0 |
0.219 |
25 |
52 |
|
H |
9 |
4 |
8452 |
◊ |
J |
-x+1,y-1/2,-z+1/2 |
3_645 |
10 |
5 |
8415 |
61.3 |
0.2 |
0.570 |
0 |
0 |
0 |
0.000 |
26 |
53 |
|
I |
4 |
1 |
8440 |
◊ |
K |
x-1/2,-y-1/2,-z |
4_445 |
6 |
1 |
8319 |
48.4 |
-0.6 |
0.295 |
0 |
0 |
0 |
0.000 |
27 |
54 |
|
A |
3 |
1 |
8296 |
◊ |
F |
x-1/2,-y-1/2,-z |
4_445 |
6 |
1 |
8768 |
38.2 |
-0.2 |
0.559 |
0 |
0 |
0 |
0.000 |
28 |
55 |
|
J |
3 |
1 |
8415 |
◊ |
G |
-x,y-1/2,-z+1/2 |
3_545 |
2 |
1 |
8416 |
34.0 |
0.5 |
0.475 |
0 |
0 |
0 |
0.000 |
29 |
56 |
|
J |
4 |
1 |
8415 |
◊ |
F |
-x+1,y-1/2,-z+1/2 |
3_645 |
7 |
2 |
8768 |
33.3 |
0.5 |
0.730 |
0 |
0 |
0 |
0.000 |
30 |
57 |
|
G |
3 |
2 |
8416 |
◊ |
D |
x-1/2,-y+1/2,-z |
4_455 |
4 |
1 |
8462 |
32.0 |
-0.4 |
0.417 |
0 |
0 |
0 |
0.000 |
31 |
58 |
|
B |
4 |
2 |
8320 |
◊ |
K |
x-1/2,-y+1/2,-z |
4_455 |
5 |
3 |
8319 |
29.9 |
1.1 |
0.853 |
1 |
0 |
0 |
0.000 |
32 |
59 |
|
[MG]A:170 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
4 |
3 |
8296 |
29.5 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.193 |
60 |
|
[MG]B:170 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
5 |
3 |
8320 |
28.2 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.193 |
61 |
|
[MG]I:170 |
1 |
1 |
98 |
f |
K |
x,y,z |
1_555 |
3 |
2 |
8319 |
25.2 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.193 |
62 |
|
[MG]I:169 |
1 |
1 |
98 |
f |
I |
x,y,z |
1_555 |
3 |
2 |
8440 |
25.0 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.193 |
63 |
|
[MG]L:169 |
1 |
1 |
98 |
f |
J |
x,y,z |
1_555 |
4 |
3 |
8415 |
24.6 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.193 |
64 |
|
[MG]F:169 |
1 |
1 |
98 |
f |
H |
x,y,z |
1_555 |
3 |
2 |
8452 |
24.1 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.193 |
65 |
|
[MG]B:171 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
3 |
2 |
8462 |
23.7 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.193 |
66 |
|
[MG]H:168 |
1 |
1 |
98 |
f |
F |
x,y,z |
1_555 |
5 |
2 |
8768 |
20.6 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.193 |
67 |
|
[MG]A:171 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
6 |
2 |
8439 |
19.0 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.193 |
Average: |
24.4 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.193 |
33 |
68 |
|
[MG]H:169 |
1 |
1 |
98 |
◊ |
J |
x,y,z |
1_555 |
6 |
2 |
8415 |
27.8 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.180 |
69 |
|
[MG]A:169 |
1 |
1 |
98 |
◊ |
I |
x,y,z |
1_555 |
5 |
2 |
8440 |
26.2 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.180 |
70 |
|
[MG]D:168 |
1 |
1 |
98 |
◊ |
F |
x,y,z |
1_555 |
6 |
2 |
8768 |
25.2 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.180 |
71 |
|
[MG]B:169 |
1 |
1 |
98 |
◊ |
G |
x,y,z |
1_555 |
6 |
2 |
8416 |
24.7 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.180 |
72 |
|
[MG]B:169 |
1 |
1 |
98 |
◊ |
L |
x,y,z |
1_555 |
6 |
2 |
8494 |
24.7 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.180 |
73 |
|
[MG]A:169 |
1 |
1 |
98 |
◊ |
E |
x,y,z |
1_555 |
6 |
2 |
8451 |
24.2 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.180 |
74 |
|
[MG]D:168 |
1 |
1 |
98 |
◊ |
K |
x,y,z |
1_555 |
5 |
2 |
8319 |
24.1 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.180 |
75 |
|
[MG]D:168 |
1 |
1 |
98 |
◊ |
D |
x,y,z |
1_555 |
5 |
2 |
8462 |
24.0 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.180 |
76 |
|
[MG]B:169 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
5 |
2 |
8320 |
23.7 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.180 |
77 |
|
[MG]H:169 |
1 |
1 |
98 |
◊ |
H |
x,y,z |
1_555 |
6 |
2 |
8452 |
23.5 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.180 |
78 |
|
[MG]A:169 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
5 |
2 |
8296 |
22.8 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.180 |
79 |
|
[MG]H:169 |
1 |
1 |
98 |
◊ |
C |
x,y,z |
1_555 |
5 |
2 |
8439 |
22.7 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.180 |
Average: |
24.5 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.180 |
34 |
80 |
|
[MG]C:168 |
1 |
1 |
98 |
f |
H |
x,y,z |
1_555 |
8 |
3 |
8452 |
26.0 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.084 |
35 |
81 |
|
[MG]K:168 |
1 |
1 |
98 |
f |
K |
x,y,z |
1_555 |
6 |
3 |
8319 |
24.8 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.056 |
36 |
82 |
|
[MG]H:168 |
1 |
1 |
98 |
◊ |
H |
x,y,z |
1_555 |
4 |
3 |
8452 |
24.8 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.083 |
83 |
|
[MG]A:171 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
3 |
3 |
8296 |
24.2 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.083 |
84 |
|
[MG]I:170 |
1 |
1 |
98 |
◊ |
I |
x,y,z |
1_555 |
6 |
3 |
8440 |
23.0 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.083 |
85 |
|
[MG]L:169 |
1 |
1 |
98 |
◊ |
L |
x,y,z |
1_555 |
5 |
3 |
8494 |
22.4 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.083 |
86 |
|
[MG]A:170 |
1 |
1 |
98 |
◊ |
C |
x,y,z |
1_555 |
6 |
3 |
8439 |
22.3 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.083 |
87 |
|
[MG]B:170 |
1 |
1 |
98 |
◊ |
D |
x,y,z |
1_555 |
6 |
3 |
8462 |
21.7 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.083 |
88 |
|
[MG]I:169 |
1 |
1 |
98 |
◊ |
K |
x,y,z |
1_555 |
3 |
3 |
8319 |
21.6 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.083 |
89 |
|
[MG]B:171 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
3 |
3 |
8320 |
21.4 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.083 |
90 |
|
[MG]F:169 |
1 |
1 |
98 |
◊ |
F |
x,y,z |
1_555 |
2 |
2 |
8768 |
20.4 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.083 |
Average: |
22.4 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.083 |
37 |
91 |
|
[MG]C:168 |
1 |
1 |
98 |
◊ |
C |
x,y,z |
1_555 |
3 |
1 |
8439 |
20.5 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.056 |
38 |
92 |
|
J |
3 |
1 |
8415 |
◊ |
B |
-x+1,y-1/2,-z+1/2 |
3_645 |
3 |
1 |
8320 |
18.9 |
0.5 |
0.777 |
0 |
0 |
0 |
0.000 |
39 |
93 |
|
[MG]C:168 |
1 |
1 |
98 |
◊ |
J |
-x+1,y-1/2,-z+1/2 |
3_645 |
4 |
2 |
8415 |
17.4 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.000 |
40 |
94 |
|
C |
1 |
1 |
8439 |
◊ |
L |
-x,y-1/2,-z+1/2 |
3_545 |
1 |
1 |
8494 |
7.0 |
-0.0 |
0.495 |
0 |
0 |
0 |
0.000 |
41 |
95 |
|
C |
1 |
1 |
8439 |
◊ |
H |
-x+1,y-1/2,-z+1/2 |
3_645 |
1 |
1 |
8452 |
6.4 |
0.3 |
0.832 |
0 |
0 |
0 |
0.000 |
42 |
96 |
|
E |
1 |
1 |
8451 |
◊ |
L |
-x,y-1/2,-z+1/2 |
3_545 |
1 |
1 |
8494 |
3.9 |
0.1 |
0.776 |
0 |
0 |
0 |
0.000 |
43 |
97 |
|
E |
2 |
1 |
8451 |
◊ |
A |
x-1/2,-y-1/2,-z |
4_445 |
5 |
2 |
8296 |
3.2 |
-0.0 |
0.612 |
0 |
0 |
0 |
0.000 |
44 |
98 |
|
D |
1 |
1 |
8462 |
◊ |
F |
x-1/2,-y+1/2,-z |
4_455 |
1 |
1 |
8768 |
1.6 |
0.1 |
0.782 |
0 |
0 |
0 |
0.000 |
|