## |
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 |
111 |
29 |
12216 |
◊ |
A |
x,y,z |
1_555 |
107 |
26 |
11766 |
972.3 |
-0.5 |
0.652 |
18 |
2 |
0 |
0.195 |
2 |
2 |
|
C |
65 |
12 |
2024 |
◊ |
A |
x,y,z |
1_555 |
87 |
27 |
11766 |
739.8 |
-10.3 |
0.408 |
15 |
5 |
0 |
0.531 |
3 |
|
D |
60 |
10 |
2054 |
◊ |
B |
x,y,z |
1_555 |
85 |
26 |
12216 |
722.2 |
-9.6 |
0.423 |
13 |
5 |
0 |
0.531 |
Average: |
731.0 |
-9.9 |
0.415 |
14 |
5 |
0 |
0.531 |
3 |
4 |
|
B |
70 |
18 |
12216 |
◊ |
A |
x,y-1,z |
1_545 |
65 |
17 |
11766 |
560.0 |
-6.5 |
0.165 |
8 |
0 |
0 |
0.000 |
4 |
5 |
|
A |
48 |
14 |
11766 |
◊ |
A |
-x+2,y,-z |
2_755 |
48 |
14 |
11766 |
447.1 |
-3.7 |
0.318 |
6 |
0 |
0 |
0.000 |
5 |
6 |
|
[MYR]B:501 |
15 |
1 |
491 |
cf |
B |
x,y,z |
1_555 |
50 |
23 |
12216 |
369.1 |
2.9 |
0.120 |
1 |
0 |
0 |
0.000 |
7 |
|
[MYR]A:501 |
15 |
1 |
486 |
cf |
A |
x,y,z |
1_555 |
49 |
22 |
11766 |
358.1 |
3.3 |
0.149 |
0 |
0 |
0 |
0.000 |
Average: |
363.6 |
3.1 |
0.135 |
1 |
0 |
0 |
0.000 |
6 |
8 |
|
D |
29 |
6 |
2054 |
◊ |
B |
-x+5/2,y-1/2,-z+1 |
4_746 |
47 |
13 |
12216 |
312.6 |
-4.5 |
0.328 |
0 |
0 |
0 |
0.008 |
7 |
9 |
|
B |
37 |
10 |
12216 |
◊ |
B |
-x+2,y,-z+1 |
2_756 |
37 |
10 |
12216 |
291.5 |
-0.7 |
0.546 |
4 |
0 |
0 |
0.000 |
8 |
10 |
|
B |
20 |
5 |
12216 |
◊ |
A |
-x+2,y,-z+1 |
2_756 |
22 |
7 |
11766 |
209.7 |
1.5 |
0.765 |
4 |
0 |
0 |
0.000 |
9 |
11 |
|
B |
24 |
7 |
12216 |
x |
B |
x,y-1,z |
1_545 |
22 |
9 |
12216 |
206.3 |
-2.2 |
0.291 |
0 |
0 |
0 |
0.000 |
10 |
12 |
|
[2JH]C:8 |
9 |
1 |
301 |
cf |
C |
x,y,z |
1_555 |
27 |
7 |
2024 |
161.7 |
-1.4 |
0.653 |
2 |
0 |
0 |
0.068 |
13 |
|
[2JH]D:8 |
9 |
1 |
304 |
cf |
D |
x,y,z |
1_555 |
28 |
7 |
2054 |
157.3 |
-1.4 |
0.681 |
2 |
0 |
0 |
0.068 |
Average: |
159.5 |
-1.4 |
0.667 |
2 |
0 |
0 |
0.068 |
11 |
14 |
|
B |
20 |
6 |
12216 |
x |
B |
-x+5/2,y-1/2,-z+1 |
4_746 |
14 |
7 |
12216 |
139.7 |
0.3 |
0.521 |
1 |
0 |
0 |
0.000 |
12 |
15 |
|
[PO4]B:502 |
5 |
1 |
187 |
f |
B |
x,y,z |
1_555 |
17 |
8 |
12216 |
106.6 |
-7.4 |
0.636 |
6 |
0 |
0 |
0.295 |
13 |
16 |
|
[PO4]A:503 |
5 |
1 |
188 |
f |
A |
x,y,z |
1_555 |
18 |
9 |
11766 |
102.2 |
-5.9 |
0.674 |
3 |
0 |
0 |
0.216 |
14 |
17 |
|
[PO4]A:502 |
5 |
1 |
188 |
f |
A |
x,y,z |
1_555 |
17 |
5 |
11766 |
93.7 |
-4.9 |
0.797 |
4 |
0 |
0 |
0.199 |
15 |
18 |
|
A |
12 |
5 |
11766 |
◊ |
A |
-x+2,y,-z+1 |
2_756 |
12 |
5 |
11766 |
91.1 |
-0.1 |
0.589 |
0 |
0 |
0 |
0.000 |
16 |
19 |
|
D |
11 |
3 |
2054 |
◊ |
B |
x,y-1,z |
1_545 |
8 |
3 |
12216 |
88.5 |
0.7 |
0.788 |
0 |
1 |
0 |
0.000 |
17 |
20 |
|
[PO4]A:502 |
5 |
1 |
188 |
◊ |
B |
x,y,z |
1_555 |
11 |
3 |
12216 |
78.2 |
-2.8 |
0.925 |
2 |
0 |
0 |
0.082 |
18 |
21 |
|
[PO4]B:503 |
5 |
1 |
188 |
f |
B |
x,y,z |
1_555 |
14 |
7 |
12216 |
76.9 |
-3.5 |
0.872 |
4 |
0 |
0 |
0.153 |
19 |
22 |
|
[ACE]C:1 |
3 |
1 |
171 |
cf |
C |
x,y,z |
1_555 |
9 |
3 |
2024 |
75.4 |
-0.2 |
0.834 |
3 |
0 |
0 |
0.047 |
20 |
23 |
|
[ACE]D:1 |
3 |
1 |
171 |
◊ |
B |
-x+5/2,y-1/2,-z+1 |
4_746 |
18 |
5 |
12216 |
74.0 |
-2.1 |
0.483 |
0 |
0 |
0 |
0.004 |
21 |
24 |
|
A |
7 |
2 |
11766 |
◊ |
C |
x,y-1,z |
1_545 |
8 |
2 |
2024 |
72.9 |
-0.8 |
0.445 |
1 |
0 |
0 |
0.000 |
22 |
25 |
|
[2JH]C:8 |
7 |
1 |
301 |
◊ |
A |
x,y,z |
1_555 |
11 |
5 |
11766 |
68.7 |
-1.7 |
0.331 |
0 |
0 |
0 |
0.051 |
26 |
|
[2JH]D:8 |
7 |
1 |
304 |
◊ |
B |
x,y,z |
1_555 |
11 |
5 |
12216 |
66.4 |
-1.8 |
0.313 |
0 |
0 |
0 |
0.051 |
Average: |
67.5 |
-1.7 |
0.322 |
0 |
0 |
0 |
0.051 |
23 |
27 |
|
[ACE]D:1 |
3 |
1 |
171 |
cf |
D |
x,y,z |
1_555 |
9 |
4 |
2054 |
65.1 |
-0.2 |
0.822 |
3 |
0 |
0 |
0.044 |
24 |
28 |
|
[PO4]B:503 |
4 |
1 |
188 |
◊ |
A |
x,y,z |
1_555 |
10 |
4 |
11766 |
63.0 |
-3.0 |
0.837 |
2 |
0 |
0 |
0.087 |
25 |
29 |
|
C |
4 |
2 |
2024 |
◊ |
A |
-x+2,y,-z |
2_755 |
8 |
1 |
11766 |
53.4 |
0.1 |
0.578 |
1 |
0 |
0 |
0.000 |
26 |
30 |
|
[NH2]D:17 |
1 |
1 |
117 |
cf |
D |
x,y,z |
1_555 |
4 |
1 |
2054 |
49.0 |
0.1 |
0.668 |
0 |
0 |
0 |
0.000 |
31 |
|
[NH2]C:17 |
1 |
1 |
117 |
cf |
C |
x,y,z |
1_555 |
5 |
2 |
2024 |
48.8 |
0.1 |
0.710 |
0 |
0 |
0 |
0.000 |
Average: |
48.9 |
0.1 |
0.689 |
0 |
0 |
0 |
0.000 |
27 |
32 |
|
[ACE]C:1 |
3 |
1 |
171 |
◊ |
A |
-x+2,y,-z |
2_755 |
8 |
1 |
11766 |
47.7 |
-1.3 |
0.497 |
0 |
0 |
0 |
0.000 |
28 |
33 |
|
[PO4]B:503 |
4 |
1 |
188 |
◊ |
[PO4]A:503 |
x,y,z |
1_555 |
4 |
1 |
188 |
35.0 |
-3.3 |
0.973 |
0 |
0 |
0 |
0.073 |
29 |
34 |
|
[PO4]A:503 |
4 |
1 |
188 |
◊ |
B |
x,y,z |
1_555 |
4 |
3 |
12216 |
30.6 |
-1.4 |
0.705 |
1 |
0 |
0 |
0.042 |
30 |
35 |
|
[ACE]C:1 |
2 |
1 |
171 |
◊ |
A |
x,y,z |
1_555 |
3 |
2 |
11766 |
17.2 |
0.2 |
0.814 |
0 |
0 |
0 |
0.000 |
31 |
36 |
|
[2JH]D:8 |
2 |
1 |
304 |
◊ |
B |
x,y-1,z |
1_545 |
3 |
1 |
12216 |
16.5 |
0.5 |
0.700 |
0 |
0 |
0 |
0.000 |
32 |
37 |
|
[NH2]C:17 |
1 |
1 |
117 |
◊ |
A |
x,y,z |
1_555 |
4 |
1 |
11766 |
14.4 |
0.1 |
0.730 |
0 |
0 |
0 |
0.000 |
38 |
|
[NH2]D:17 |
1 |
1 |
117 |
◊ |
B |
x,y,z |
1_555 |
4 |
1 |
12216 |
13.1 |
0.1 |
0.741 |
0 |
0 |
0 |
0.000 |
Average: |
13.8 |
0.1 |
0.736 |
0 |
0 |
0 |
0.000 |
33 |
39 |
|
[ACE]D:1 |
1 |
1 |
171 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
12216 |
4.2 |
0.1 |
0.679 |
0 |
0 |
0 |
0.000 |
|