| ## |
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 |
|
L |
431 |
107 |
21573 |
◊ |
A |
x,y,z |
1_555 |
434 |
108 |
21324 |
4166.5 |
-36.4 |
0.154 |
76 |
42 |
0 |
0.265 |
| 2 |
2 |
|
G |
253 |
62 |
8968 |
◊ |
A |
x,y,z |
1_555 |
279 |
75 |
21324 |
2658.9 |
-26.7 |
0.123 |
37 |
21 |
0 |
0.322 |
3 |
|
M |
263 |
65 |
9059 |
◊ |
L |
x,y,z |
1_555 |
284 |
73 |
21573 |
2625.8 |
-29.5 |
0.078 |
40 |
22 |
0 |
0.322 |
| Average: |
2642.4 |
-28.1 |
0.101 |
39 |
22 |
0 |
0.322 |
| 3 |
4 |
|
E |
155 |
43 |
8326 |
◊ |
L |
x,y,z |
1_555 |
158 |
48 |
21573 |
1498.4 |
-13.9 |
0.219 |
23 |
2 |
0 |
0.186 |
5 |
|
B |
144 |
39 |
8439 |
◊ |
A |
x,y,z |
1_555 |
155 |
47 |
21324 |
1442.4 |
-11.1 |
0.324 |
25 |
2 |
0 |
0.186 |
| Average: |
1470.4 |
-12.5 |
0.272 |
24 |
2 |
0 |
0.186 |
| 4 |
6 |
|
B |
75 |
20 |
8439 |
◊ |
M |
-x+5/2,-y,z-1/2 |
2_754 |
70 |
22 |
9059 |
630.6 |
0.5 |
0.724 |
6 |
5 |
0 |
0.000 |
| 5 |
7 |
|
[CNC]E:2601 |
46 |
1 |
1213 |
◊ |
E |
x,y,z |
1_555 |
68 |
25 |
8326 |
530.2 |
-3.7 |
0.631 |
10 |
0 |
0 |
1.000 |
8 |
|
[CNC]B:1601 |
46 |
1 |
1213 |
◊ |
B |
x,y,z |
1_555 |
72 |
24 |
8439 |
528.5 |
-4.0 |
0.620 |
10 |
0 |
0 |
1.000 |
| Average: |
529.3 |
-3.8 |
0.626 |
10 |
0 |
0 |
1.000 |
| 6 |
9 |
|
[CNC]E:2601 |
47 |
1 |
1213 |
◊ |
L |
x,y,z |
1_555 |
67 |
24 |
21573 |
528.4 |
-7.7 |
0.355 |
8 |
0 |
0 |
0.096 |
10 |
|
[CNC]B:1601 |
47 |
1 |
1213 |
◊ |
A |
x,y,z |
1_555 |
66 |
23 |
21324 |
524.2 |
-7.6 |
0.396 |
7 |
0 |
0 |
0.096 |
| Average: |
526.3 |
-7.6 |
0.375 |
8 |
0 |
0 |
0.096 |
| 7 |
11 |
|
M |
20 |
7 |
9059 |
◊ |
E |
x,y,z |
1_555 |
20 |
8 |
8326 |
174.4 |
0.1 |
0.416 |
2 |
1 |
0 |
0.005 |
12 |
|
G |
22 |
7 |
8968 |
◊ |
B |
x,y,z |
1_555 |
19 |
8 |
8439 |
169.7 |
-0.5 |
0.378 |
1 |
0 |
0 |
0.005 |
| Average: |
172.1 |
-0.2 |
0.397 |
2 |
1 |
0 |
0.005 |
| 8 |
13 |
|
A |
22 |
9 |
21324 |
x |
A |
-x+2,y-1/2,-z+3/2 |
3_746 |
18 |
5 |
21324 |
155.0 |
-1.0 |
0.508 |
0 |
0 |
0 |
0.000 |
| 9 |
14 |
|
B |
17 |
7 |
8439 |
◊ |
G |
-x+2,y-1/2,-z+3/2 |
3_746 |
11 |
4 |
8968 |
97.1 |
3.1 |
0.916 |
1 |
3 |
0 |
0.000 |
| 10 |
15 |
|
[PGR]A:1602 |
5 |
1 |
211 |
f |
A |
x,y,z |
1_555 |
16 |
10 |
21324 |
94.8 |
2.8 |
0.324 |
5 |
0 |
0 |
0.000 |
16 |
|
[PGR]L:2602 |
5 |
1 |
210 |
f |
L |
x,y,z |
1_555 |
16 |
10 |
21573 |
90.3 |
2.7 |
0.323 |
6 |
0 |
0 |
0.000 |
| Average: |
92.6 |
2.7 |
0.323 |
6 |
0 |
0 |
0.000 |
| 11 |
17 |
|
[K]A:1603 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
11 |
7 |
21324 |
89.9 |
-84.4 |
0.000 |
0 |
0 |
0 |
0.736 |
18 |
|
[K]L:2603 |
1 |
1 |
216 |
f |
L |
x,y,z |
1_555 |
11 |
7 |
21573 |
89.5 |
-84.8 |
0.000 |
0 |
0 |
0 |
0.736 |
| Average: |
89.7 |
-84.6 |
0.000 |
0 |
0 |
0 |
0.736 |
| 12 |
19 |
|
L |
13 |
5 |
21573 |
x |
L |
x-1/2,-y+1/2,-z+2 |
4_457 |
9 |
6 |
21573 |
88.4 |
-0.9 |
0.440 |
0 |
0 |
0 |
0.000 |
| 13 |
20 |
|
L |
5 |
2 |
21573 |
◊ |
A |
x-1/2,-y+1/2,-z+2 |
4_457 |
7 |
3 |
21324 |
70.7 |
-1.1 |
0.276 |
0 |
0 |
0 |
0.000 |
| 14 |
21 |
|
B |
5 |
2 |
8439 |
◊ |
L |
x,y,z |
1_555 |
7 |
2 |
21573 |
65.3 |
-0.5 |
0.473 |
0 |
0 |
0 |
0.004 |
22 |
|
E |
4 |
2 |
8326 |
◊ |
A |
x,y,z |
1_555 |
7 |
2 |
21324 |
55.1 |
-0.9 |
0.299 |
0 |
0 |
0 |
0.004 |
| Average: |
60.2 |
-0.7 |
0.386 |
0 |
0 |
0 |
0.004 |
| 15 |
23 |
|
[NH4]A:1604 |
1 |
1 |
117 |
f |
A |
x,y,z |
1_555 |
11 |
8 |
21324 |
60.8 |
1.3 |
0.000 |
0 |
0 |
0 |
0.000 |
24 |
|
[NH4]L:2604 |
1 |
1 |
117 |
f |
L |
x,y,z |
1_555 |
10 |
7 |
21573 |
60.4 |
1.1 |
0.000 |
0 |
0 |
0 |
0.000 |
| Average: |
60.6 |
1.2 |
0.000 |
0 |
0 |
0 |
0.000 |
| 16 |
25 |
|
L |
7 |
3 |
21573 |
◊ |
M |
x-1/2,-y+1/2,-z+2 |
4_457 |
8 |
4 |
9059 |
58.4 |
0.4 |
0.722 |
0 |
0 |
0 |
0.000 |
| 17 |
26 |
|
[NH4]L:2605 |
1 |
1 |
117 |
◊ |
L |
x,y,z |
1_555 |
6 |
3 |
21573 |
49.5 |
1.1 |
0.822 |
0 |
0 |
0 |
0.000 |
27 |
|
[NH4]A:1605 |
1 |
1 |
117 |
◊ |
A |
x,y,z |
1_555 |
5 |
3 |
21324 |
49.3 |
1.1 |
0.819 |
0 |
0 |
0 |
0.000 |
| Average: |
49.4 |
1.1 |
0.820 |
0 |
0 |
0 |
0.000 |
| 18 |
28 |
|
[PGR]A:1602 |
4 |
1 |
211 |
f |
[K]A:1603 |
x,y,z |
1_555 |
1 |
1 |
216 |
49.4 |
-23.1 |
0.000 |
0 |
0 |
0 |
0.201 |
29 |
|
[PGR]L:2602 |
5 |
1 |
210 |
f |
[K]L:2603 |
x,y,z |
1_555 |
1 |
1 |
216 |
49.1 |
-22.7 |
0.000 |
0 |
0 |
0 |
0.201 |
| Average: |
49.2 |
-22.9 |
0.000 |
0 |
0 |
0 |
0.201 |
| 19 |
30 |
|
G |
7 |
2 |
8968 |
◊ |
E |
-x+3/2,-y,z-1/2 |
2_654 |
5 |
2 |
8326 |
37.4 |
-0.4 |
0.450 |
0 |
0 |
0 |
0.000 |
| 20 |
31 |
|
G |
5 |
3 |
8968 |
◊ |
M |
-x+3/2,-y,z-1/2 |
2_654 |
3 |
2 |
9059 |
37.3 |
1.2 |
0.828 |
0 |
0 |
0 |
0.000 |
| 21 |
32 |
|
[CNC]B:1601 |
3 |
1 |
1213 |
f |
[NH4]A:1605 |
x,y,z |
1_555 |
1 |
1 |
117 |
26.9 |
0.6 |
0.904 |
0 |
0 |
0 |
0.000 |
33 |
|
[CNC]E:2601 |
3 |
1 |
1213 |
f |
[NH4]L:2605 |
x,y,z |
1_555 |
1 |
1 |
117 |
22.8 |
0.4 |
0.861 |
0 |
0 |
0 |
0.000 |
| Average: |
24.9 |
0.5 |
0.882 |
0 |
0 |
0 |
0.000 |
| 22 |
34 |
|
B |
2 |
1 |
8439 |
◊ |
L |
-x+5/2,-y,z-1/2 |
2_754 |
3 |
1 |
21573 |
25.0 |
0.5 |
0.385 |
0 |
0 |
0 |
0.000 |
| 23 |
35 |
|
A |
3 |
2 |
21324 |
◊ |
M |
-x+3/2,-y,z-1/2 |
2_654 |
2 |
1 |
9059 |
13.6 |
0.3 |
0.769 |
0 |
0 |
0 |
0.000 |
| 24 |
36 |
|
[CNC]E:2601 |
2 |
1 |
1213 |
◊ |
[PGR]L:2602 |
x,y,z |
1_555 |
2 |
1 |
210 |
11.0 |
-0.1 |
0.520 |
0 |
0 |
0 |
0.001 |
37 |
|
[CNC]B:1601 |
1 |
1 |
1213 |
◊ |
[PGR]A:1602 |
x,y,z |
1_555 |
1 |
1 |
211 |
6.8 |
0.1 |
0.667 |
0 |
0 |
0 |
0.001 |
| Average: |
8.9 |
-0.0 |
0.593 |
0 |
0 |
0 |
0.001 |
| 25 |
38 |
|
G |
2 |
1 |
8968 |
◊ |
L |
-x+5/2,-y,z-1/2 |
2_754 |
2 |
1 |
21573 |
7.0 |
0.1 |
0.576 |
0 |
0 |
0 |
0.000 |
|