| ## |
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 |
112 |
34 |
10719 |
◊ |
A |
x,y,z |
1_555 |
114 |
33 |
10551 |
1113.0 |
-1.4 |
0.612 |
10 |
12 |
0 |
0.000 |
| 2 |
2 |
|
A |
47 |
11 |
10551 |
◊ |
B |
x-1/2,y+1/2,z |
3_455 |
52 |
15 |
10719 |
421.0 |
-1.6 |
0.320 |
3 |
0 |
0 |
0.000 |
3 |
|
B |
43 |
10 |
10719 |
◊ |
A |
x-1/2,y-1/2,z |
3_445 |
52 |
17 |
10551 |
419.3 |
-3.1 |
0.199 |
4 |
0 |
0 |
0.000 |
| Average: |
420.1 |
-2.4 |
0.259 |
4 |
0 |
0 |
0.000 |
| 3 |
4 |
|
B |
36 |
13 |
10719 |
◊ |
B |
-x+2,y,-z+1 |
2_756 |
35 |
13 |
10719 |
305.5 |
-1.7 |
0.405 |
2 |
0 |
0 |
0.000 |
| 4 |
5 |
|
[ZYC]B:264 |
16 |
1 |
437 |
f |
B |
x,y,z |
1_555 |
43 |
20 |
10719 |
299.7 |
-5.5 |
0.407 |
3 |
0 |
0 |
0.058 |
6 |
|
[ZYC]A:256 |
16 |
1 |
429 |
f |
A |
x,y,z |
1_555 |
35 |
17 |
10551 |
281.4 |
-5.0 |
0.473 |
3 |
0 |
0 |
0.058 |
| Average: |
290.6 |
-5.3 |
0.440 |
3 |
0 |
0 |
0.058 |
| 5 |
7 |
|
A |
29 |
6 |
10551 |
x |
A |
-x+3/2,y-1/2,-z |
4_645 |
24 |
6 |
10551 |
194.8 |
-2.2 |
0.311 |
0 |
1 |
0 |
0.000 |
| 6 |
8 |
|
B |
17 |
6 |
10719 |
x |
B |
-x+3/2,y-1/2,-z+1 |
4_646 |
17 |
5 |
10719 |
138.3 |
-0.8 |
0.440 |
1 |
0 |
0 |
0.000 |
| 7 |
9 |
|
[NH4]B:255 |
1 |
1 |
117 |
f |
B |
x,y,z |
1_555 |
15 |
8 |
10719 |
70.3 |
1.2 |
0.748 |
0 |
0 |
0 |
0.000 |
| 8 |
10 |
|
[CL]B:263 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
9 |
4 |
10719 |
65.7 |
-9.9 |
0.000 |
0 |
0 |
0 |
0.034 |
| 9 |
11 |
|
[NH4]B:257 |
1 |
1 |
117 |
◊ |
B |
x,y,z |
1_555 |
11 |
7 |
10719 |
65.6 |
1.0 |
0.775 |
0 |
0 |
0 |
0.000 |
| 10 |
12 |
|
[CL]A:255 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
11 |
7 |
10551 |
65.1 |
-8.8 |
0.000 |
0 |
0 |
0 |
0.081 |
| 11 |
13 |
|
[CL]B:262 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
9 |
4 |
10719 |
62.6 |
-8.6 |
0.000 |
0 |
0 |
0 |
0.030 |
| 12 |
14 |
|
[NH4]B:256 |
1 |
1 |
117 |
f |
B |
x,y,z |
1_555 |
13 |
3 |
10719 |
62.1 |
0.4 |
0.618 |
0 |
0 |
0 |
0.000 |
| 13 |
15 |
|
[NH4]A:250 |
1 |
1 |
117 |
f |
A |
x,y,z |
1_555 |
11 |
8 |
10551 |
60.7 |
1.3 |
0.000 |
0 |
0 |
0 |
0.000 |
| 14 |
16 |
|
[NH4]A:252 |
1 |
1 |
117 |
◊ |
A |
x,y,z |
1_555 |
11 |
5 |
10551 |
59.5 |
1.2 |
0.818 |
0 |
0 |
0 |
0.000 |
| 15 |
17 |
|
[NH4]A:253 |
1 |
1 |
117 |
◊ |
A |
x,y,z |
1_555 |
7 |
5 |
10551 |
59.0 |
1.1 |
0.726 |
0 |
0 |
0 |
0.000 |
18 |
|
[NH4]B:252 |
1 |
1 |
117 |
◊ |
B |
x,y,z |
1_555 |
10 |
5 |
10719 |
58.0 |
1.0 |
0.747 |
0 |
0 |
0 |
0.000 |
| Average: |
58.5 |
1.0 |
0.736 |
0 |
0 |
0 |
0.000 |
| 16 |
19 |
|
[NH4]A:251 |
1 |
1 |
117 |
f |
A |
x,y,z |
1_555 |
2 |
2 |
10551 |
58.7 |
1.3 |
0.000 |
0 |
0 |
0 |
0.000 |
| 17 |
20 |
|
[NH4]B:250 |
1 |
1 |
117 |
f |
B |
x,y,z |
1_555 |
2 |
2 |
10719 |
58.6 |
1.3 |
0.000 |
0 |
0 |
0 |
0.000 |
| 18 |
21 |
|
[NH4]B:253 |
1 |
1 |
117 |
◊ |
B |
x,y,z |
1_555 |
12 |
5 |
10719 |
54.3 |
0.6 |
0.680 |
0 |
0 |
0 |
0.000 |
| 19 |
22 |
|
[NH4]A:254 |
1 |
1 |
117 |
f |
A |
x,y,z |
1_555 |
7 |
3 |
10551 |
52.5 |
0.9 |
0.805 |
0 |
0 |
0 |
0.000 |
| 20 |
23 |
|
[NH4]B:260 |
1 |
1 |
117 |
◊ |
B |
x,y,z |
1_555 |
8 |
4 |
10719 |
51.7 |
0.5 |
0.669 |
0 |
0 |
0 |
0.000 |
| 21 |
24 |
|
[NH4]B:251 |
1 |
1 |
117 |
◊ |
B |
x,y,z |
1_555 |
11 |
3 |
10719 |
49.8 |
0.7 |
0.761 |
0 |
0 |
0 |
0.000 |
| 22 |
25 |
|
[NH4]B:258 |
1 |
1 |
117 |
f |
B |
x,y,z |
1_555 |
8 |
4 |
10719 |
45.6 |
0.3 |
0.618 |
0 |
0 |
0 |
0.000 |
| 23 |
26 |
|
[NH4]B:251 |
1 |
1 |
117 |
f |
A |
x,y,z |
1_555 |
7 |
3 |
10551 |
43.3 |
0.1 |
0.528 |
0 |
0 |
0 |
0.000 |
| 24 |
27 |
|
[NH4]B:259 |
1 |
1 |
117 |
◊ |
B |
x,y,z |
1_555 |
9 |
5 |
10719 |
40.9 |
0.5 |
0.740 |
0 |
0 |
0 |
0.000 |
| 25 |
28 |
|
[CL]B:261 |
1 |
1 |
125 |
◊ |
B |
-x+2,y,-z+1 |
2_756 |
7 |
3 |
10719 |
38.2 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.000 |
| 26 |
29 |
|
[CL]B:261 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
5 |
3 |
10719 |
37.8 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.016 |
| 27 |
30 |
|
[CL]B:261 |
1 |
1 |
125 |
f |
[NH4]B:258 |
x,y,z |
1_555 |
1 |
1 |
117 |
36.6 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.010 |
| 28 |
31 |
|
[NH4]B:253 |
1 |
1 |
117 |
f |
B |
-x+2,y,-z+1 |
2_756 |
5 |
1 |
10719 |
35.0 |
0.4 |
0.729 |
0 |
0 |
0 |
0.000 |
| 29 |
32 |
|
[CL]A:255 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
6 |
4 |
10719 |
32.3 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.000 |
| 30 |
33 |
|
A |
7 |
3 |
10551 |
f |
[NH4]B:252 |
x-1/2,y+1/2,z |
3_455 |
1 |
1 |
117 |
25.6 |
0.1 |
0.687 |
0 |
0 |
0 |
0.000 |
34 |
|
B |
6 |
3 |
10719 |
f |
[NH4]A:253 |
x-1/2,y-1/2,z |
3_445 |
1 |
1 |
117 |
12.9 |
-0.0 |
0.681 |
0 |
0 |
0 |
0.000 |
| Average: |
19.2 |
0.1 |
0.684 |
0 |
0 |
0 |
0.000 |
| 31 |
35 |
|
B |
4 |
1 |
10719 |
f |
[NH4]B:259 |
-x+3/2,y-1/2,-z+1 |
4_646 |
1 |
1 |
117 |
24.0 |
0.0 |
0.586 |
0 |
0 |
0 |
0.000 |
| 32 |
36 |
|
[CL]B:262 |
1 |
1 |
125 |
◊ |
B |
-x+3/2,y-1/2,-z+1 |
4_646 |
2 |
1 |
10719 |
17.2 |
-1.5 |
0.000 |
0 |
0 |
0 |
0.000 |
| 33 |
37 |
|
[NH4]B:260 |
1 |
1 |
117 |
◊ |
[NH4]B:260 |
-x+2,y,-z+1 |
2_756 |
1 |
1 |
117 |
16.4 |
0.4 |
1.000 |
0 |
0 |
0 |
0.000 |
| 34 |
38 |
|
[NH4]B:257 |
1 |
1 |
117 |
f |
A |
x,y,z |
1_555 |
4 |
3 |
10551 |
15.6 |
0.4 |
0.858 |
0 |
0 |
0 |
0.000 |
| 35 |
39 |
|
[NH4]B:258 |
1 |
1 |
117 |
◊ |
B |
-x+2,y,-z+1 |
2_756 |
2 |
2 |
10719 |
10.5 |
0.2 |
0.824 |
0 |
0 |
0 |
0.000 |
| 36 |
40 |
|
B |
2 |
1 |
10719 |
◊ |
A |
-x+3/2,y-1/2,-z |
4_645 |
1 |
1 |
10551 |
6.5 |
0.1 |
0.714 |
0 |
0 |
0 |
0.000 |
| 37 |
41 |
|
[ZYC]B:264 |
1 |
1 |
437 |
f |
[NH4]B:254 |
x,y,z |
1_555 |
1 |
1 |
117 |
6.1 |
0.1 |
0.866 |
0 |
0 |
0 |
0.000 |
| 38 |
42 |
|
[NH4]B:258 |
1 |
1 |
117 |
f |
[NH4]B:255 |
x,y,z |
1_555 |
1 |
1 |
117 |
5.9 |
0.1 |
1.000 |
0 |
0 |
0 |
0.000 |
| 39 |
43 |
|
A |
1 |
1 |
10551 |
◊ |
A |
-x+2,y,-z |
2_755 |
1 |
1 |
10551 |
4.5 |
0.1 |
0.740 |
0 |
0 |
0 |
0.000 |
| 40 |
44 |
|
[CL]B:261 |
1 |
1 |
125 |
◊ |
[CL]B:261 |
-x+2,y,-z+1 |
2_756 |
1 |
1 |
125 |
4.4 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.000 |
| 41 |
45 |
|
[NH4]A:252 |
1 |
1 |
117 |
f |
B |
x-1/2,y+1/2,z |
3_455 |
2 |
1 |
10719 |
4.2 |
-0.0 |
0.689 |
0 |
0 |
0 |
0.000 |
| 42 |
46 |
|
[NH4]B:260 |
1 |
1 |
117 |
f |
B |
-x+2,y,-z+1 |
2_756 |
1 |
1 |
10719 |
1.5 |
-0.0 |
0.687 |
0 |
0 |
0 |
0.000 |
|