## |
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 |
147 |
43 |
20948 |
◊ |
A |
x,y,z |
1_555 |
142 |
41 |
20535 |
1371.1 |
2.5 |
0.815 |
29 |
20 |
0 |
0.032 |
2 |
2 |
|
B |
118 |
34 |
20948 |
◊ |
A |
x,y-1,z |
1_545 |
120 |
34 |
20535 |
1031.6 |
1.8 |
0.784 |
22 |
14 |
0 |
0.000 |
3 |
3 |
|
[01A]A:990 |
50 |
1 |
1120 |
f |
A |
x,y,z |
1_555 |
91 |
36 |
20535 |
717.8 |
0.7 |
0.595 |
10 |
0 |
0 |
0.025 |
4 |
|
[01A]B:991 |
50 |
1 |
1108 |
f |
B |
x,y,z |
1_555 |
93 |
35 |
20948 |
711.6 |
1.4 |
0.633 |
9 |
0 |
0 |
0.025 |
Average: |
714.7 |
1.0 |
0.614 |
10 |
0 |
0 |
0.025 |
4 |
5 |
|
A |
73 |
18 |
20535 |
x |
A |
x-1/2,-y+1/2,-z+1 |
4_456 |
70 |
21 |
20535 |
608.2 |
-5.3 |
0.230 |
4 |
0 |
0 |
0.000 |
5 |
6 |
|
B |
59 |
21 |
20948 |
◊ |
A |
-x+1,y-1/2,-z+1/2 |
3_645 |
54 |
17 |
20535 |
518.8 |
2.1 |
0.764 |
6 |
2 |
0 |
0.000 |
6 |
7 |
|
B |
40 |
11 |
20948 |
◊ |
A |
-x,y-1/2,-z+1/2 |
3_545 |
43 |
15 |
20535 |
405.2 |
-5.4 |
0.122 |
3 |
0 |
0 |
0.000 |
7 |
8 |
|
[AMP]A:997 |
23 |
1 |
495 |
f |
A |
x,y,z |
1_555 |
54 |
23 |
20535 |
315.8 |
-1.3 |
0.637 |
8 |
0 |
0 |
0.035 |
9 |
|
[AMP]B:999 |
23 |
1 |
498 |
f |
B |
x,y,z |
1_555 |
52 |
23 |
20948 |
313.4 |
-1.2 |
0.631 |
8 |
0 |
0 |
0.035 |
Average: |
314.6 |
-1.3 |
0.634 |
8 |
0 |
0 |
0.035 |
8 |
10 |
|
B |
28 |
9 |
20948 |
x |
B |
-x,y-1/2,-z+1/2 |
3_545 |
38 |
13 |
20948 |
276.5 |
0.2 |
0.633 |
3 |
1 |
0 |
0.000 |
9 |
11 |
|
B |
25 |
9 |
20948 |
x |
B |
x-1,y,z |
1_455 |
24 |
11 |
20948 |
213.7 |
0.6 |
0.592 |
1 |
0 |
0 |
0.000 |
10 |
12 |
|
[EDO]A:1003 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
30 |
13 |
20535 |
132.8 |
3.0 |
0.553 |
0 |
0 |
0 |
0.000 |
11 |
13 |
|
B |
8 |
5 |
20948 |
x |
B |
x-1/2,-y-1/2,-z+1 |
4_446 |
12 |
5 |
20948 |
92.5 |
-0.3 |
0.541 |
2 |
0 |
0 |
0.000 |
12 |
14 |
|
[NO3]B:1301 |
4 |
1 |
169 |
f |
B |
x,y,z |
1_555 |
24 |
9 |
20948 |
91.9 |
1.6 |
0.645 |
1 |
0 |
0 |
0.000 |
13 |
15 |
|
[NO3]A:1303 |
4 |
1 |
169 |
f |
A |
x,y,z |
1_555 |
21 |
8 |
20535 |
90.3 |
1.6 |
0.658 |
1 |
0 |
0 |
0.000 |
14 |
16 |
|
[NO3]B:1302 |
4 |
1 |
167 |
◊ |
A |
x,y-1,z |
1_545 |
18 |
7 |
20535 |
75.6 |
0.8 |
0.427 |
1 |
0 |
0 |
0.000 |
15 |
17 |
|
[01A]B:991 |
8 |
1 |
1108 |
f |
[AMP]B:999 |
x,y,z |
1_555 |
7 |
1 |
498 |
68.1 |
0.7 |
0.573 |
0 |
0 |
0 |
0.000 |
18 |
|
[01A]A:990 |
9 |
1 |
1120 |
f |
[AMP]A:997 |
x,y,z |
1_555 |
8 |
1 |
495 |
68.0 |
1.2 |
0.612 |
0 |
0 |
0 |
0.000 |
Average: |
68.0 |
0.9 |
0.593 |
0 |
0 |
0 |
0.000 |
16 |
19 |
|
[NO3]B:1302 |
4 |
1 |
167 |
f |
B |
x,y,z |
1_555 |
8 |
4 |
20948 |
56.8 |
0.1 |
0.282 |
0 |
0 |
0 |
0.000 |
17 |
20 |
|
B |
4 |
1 |
20948 |
◊ |
A |
x-1/2,-y+1/2,-z+1 |
4_456 |
4 |
2 |
20535 |
44.8 |
-0.1 |
0.532 |
0 |
0 |
0 |
0.000 |
18 |
21 |
|
[NO3]A:1303 |
3 |
1 |
169 |
f |
[01A]A:990 |
x,y,z |
1_555 |
5 |
1 |
1120 |
34.4 |
1.0 |
0.755 |
0 |
0 |
0 |
0.000 |
19 |
22 |
|
[MG]A:1001 |
1 |
1 |
98 |
f |
[01A]A:990 |
x,y,z |
1_555 |
4 |
1 |
1120 |
34.0 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.034 |
23 |
|
[MG]B:1002 |
1 |
1 |
98 |
f |
[01A]B:991 |
x,y,z |
1_555 |
4 |
1 |
1108 |
31.4 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.034 |
Average: |
32.7 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.034 |
20 |
24 |
|
[NO3]B:1301 |
3 |
1 |
169 |
f |
[01A]B:991 |
x,y,z |
1_555 |
6 |
1 |
1108 |
32.1 |
0.9 |
0.751 |
0 |
0 |
0 |
0.000 |
21 |
25 |
|
[MG]A:1001 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
6 |
3 |
20535 |
30.9 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.026 |
26 |
|
[MG]B:1002 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
6 |
2 |
20948 |
29.4 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.026 |
Average: |
30.2 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.026 |
22 |
27 |
|
[NO3]A:1303 |
4 |
1 |
169 |
f |
[AMP]A:997 |
x,y,z |
1_555 |
3 |
1 |
495 |
30.2 |
-1.3 |
0.443 |
0 |
0 |
0 |
0.009 |
23 |
28 |
|
[NO3]B:1301 |
3 |
1 |
169 |
f |
[AMP]B:999 |
x,y,z |
1_555 |
5 |
1 |
498 |
29.8 |
-1.0 |
0.585 |
0 |
0 |
0 |
0.007 |
24 |
29 |
|
B |
1 |
1 |
20948 |
f |
[EDO]A:1003 |
-x,y-1/2,-z+1/2 |
3_545 |
1 |
1 |
185 |
2.6 |
-0.0 |
0.632 |
0 |
0 |
0 |
0.000 |
|