## |
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 |
144 |
16 |
4479 |
◊ |
A |
-x+1,-y,z |
2_655 |
120 |
16 |
4268 |
1076.2 |
5.0 |
0.845 |
13 |
0 |
0 |
0.019 |
2 |
|
B |
97 |
14 |
4479 |
◊ |
A |
x,y,z |
1_555 |
107 |
13 |
4268 |
851.1 |
3.0 |
0.803 |
12 |
0 |
0 |
0.019 |
Average: |
963.6 |
4.0 |
0.824 |
13 |
0 |
0 |
0.019 |
2 |
3 |
|
A |
22 |
3 |
4268 |
◊ |
B |
x,y,z-1 |
1_554 |
21 |
3 |
4479 |
172.1 |
1.5 |
0.738 |
2 |
0 |
0 |
0.000 |
4 |
|
B |
5 |
2 |
4479 |
◊ |
A |
-x+1,-y,z-1 |
2_654 |
2 |
1 |
4268 |
33.9 |
-1.6 |
0.269 |
0 |
0 |
0 |
0.000 |
Average: |
103.0 |
-0.0 |
0.504 |
1 |
0 |
0 |
0.000 |
3 |
5 |
|
A |
14 |
3 |
4268 |
x |
A |
x,y,z-1 |
1_554 |
19 |
3 |
4268 |
132.2 |
0.5 |
0.625 |
0 |
0 |
0 |
0.000 |
6 |
|
B |
18 |
3 |
4479 |
x |
B |
x,y,z-1 |
1_554 |
16 |
1 |
4479 |
109.1 |
1.8 |
0.740 |
0 |
0 |
0 |
0.000 |
Average: |
120.7 |
1.2 |
0.683 |
0 |
0 |
0 |
0.000 |
4 |
7 |
|
B |
14 |
3 |
4479 |
x |
B |
-x+3/2,y-1/2,-z-1 |
3_644 |
18 |
2 |
4479 |
127.6 |
-0.9 |
0.520 |
2 |
0 |
0 |
0.000 |
5 |
8 |
|
B |
30 |
14 |
4479 |
◊ |
B |
-x+1,-y,z |
2_655 |
30 |
14 |
4479 |
127.3 |
-7.6 |
0.298 |
0 |
0 |
0 |
0.046 |
9 |
|
A |
23 |
12 |
4268 |
◊ |
A |
-x+1,-y,z |
2_655 |
23 |
12 |
4268 |
103.3 |
-7.2 |
0.278 |
0 |
0 |
0 |
0.046 |
Average: |
115.3 |
-7.4 |
0.288 |
0 |
0 |
0 |
0.046 |
6 |
10 |
|
A |
10 |
2 |
4268 |
◊ |
B |
-x+3/2,y-1/2,-z-1 |
3_644 |
10 |
2 |
4479 |
79.6 |
-1.7 |
0.443 |
2 |
0 |
0 |
0.000 |
7 |
11 |
|
[PB]A:112 |
1 |
1 |
147 |
x |
B |
x,y,z |
1_555 |
9 |
4 |
4479 |
45.4 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.021 |
12 |
|
[PB]A:112 |
1 |
1 |
147 |
x |
A |
x,y,z |
1_555 |
8 |
4 |
4268 |
45.2 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.021 |
Average: |
45.3 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.021 |
8 |
13 |
|
[LI]A:101 |
1 |
1 |
130 |
x |
A |
x,y,z |
1_555 |
7 |
3 |
4268 |
40.4 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.045 |
14 |
|
[LI]A:101 |
1 |
1 |
130 |
x |
B |
x,y,z |
1_555 |
7 |
3 |
4479 |
39.8 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.045 |
Average: |
40.1 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.045 |
9 |
15 |
|
[NA]A:109 |
1 |
1 |
125 |
x |
A |
x,y,z |
1_555 |
4 |
2 |
4268 |
40.2 |
-5.9 |
0.000 |
0 |
0 |
0 |
0.073 |
16 |
|
[NA]A:109 |
1 |
1 |
125 |
x |
B |
x,y,z |
1_555 |
5 |
2 |
4479 |
39.7 |
-5.9 |
0.000 |
0 |
0 |
0 |
0.073 |
Average: |
39.9 |
-5.9 |
0.000 |
0 |
0 |
0 |
0.073 |
10 |
17 |
|
A |
5 |
3 |
4268 |
◊ |
B |
-x+1,-y,z-1 |
2_654 |
4 |
2 |
4479 |
39.5 |
-1.4 |
0.320 |
2 |
0 |
0 |
0.000 |
11 |
18 |
|
[NA]A:106 |
1 |
1 |
125 |
x |
B |
x,y,z |
1_555 |
7 |
3 |
4479 |
39.4 |
-5.8 |
0.000 |
0 |
0 |
0 |
0.072 |
19 |
|
[NA]A:106 |
1 |
1 |
125 |
x |
A |
x,y,z |
1_555 |
7 |
3 |
4268 |
39.0 |
-5.8 |
0.000 |
0 |
0 |
0 |
0.072 |
Average: |
39.2 |
-5.8 |
0.000 |
0 |
0 |
0 |
0.072 |
12 |
20 |
|
[NA]A:108 |
1 |
1 |
125 |
x |
B |
x,y,z |
1_555 |
5 |
3 |
4479 |
39.3 |
-5.8 |
0.000 |
0 |
0 |
0 |
0.072 |
21 |
|
[NA]A:108 |
1 |
1 |
125 |
x |
A |
x,y,z |
1_555 |
5 |
2 |
4268 |
39.0 |
-5.8 |
0.000 |
0 |
0 |
0 |
0.072 |
Average: |
39.1 |
-5.8 |
0.000 |
0 |
0 |
0 |
0.072 |
13 |
22 |
|
[NA]A:113 |
1 |
1 |
125 |
x |
B |
x,y,z |
1_555 |
6 |
3 |
4479 |
39.2 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.084 |
23 |
|
[NA]B:101 |
1 |
1 |
125 |
x |
B |
x,y,z |
1_555 |
7 |
3 |
4479 |
38.1 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.084 |
24 |
|
[NA]A:113 |
1 |
1 |
125 |
x |
A |
x,y,z |
1_555 |
5 |
2 |
4268 |
37.6 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.084 |
Average: |
38.3 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.084 |
14 |
25 |
|
[NA]A:105 |
1 |
1 |
125 |
x |
A |
x,y,z |
1_555 |
6 |
3 |
4268 |
38.8 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.056 |
26 |
|
[NA]A:105 |
1 |
1 |
125 |
x |
B |
x,y,z |
1_555 |
6 |
3 |
4479 |
38.7 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.056 |
Average: |
38.7 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.056 |
15 |
27 |
|
[NA]A:107 |
1 |
1 |
125 |
x |
B |
x,y,z |
1_555 |
5 |
2 |
4479 |
38.7 |
-5.7 |
0.000 |
0 |
0 |
0 |
0.070 |
28 |
|
[NA]A:107 |
1 |
1 |
125 |
x |
A |
x,y,z |
1_555 |
6 |
3 |
4268 |
38.3 |
-5.6 |
0.000 |
0 |
0 |
0 |
0.070 |
Average: |
38.5 |
-5.7 |
0.000 |
0 |
0 |
0 |
0.070 |
16 |
29 |
|
[NA]A:110 |
1 |
1 |
125 |
x |
A |
x,y,z |
1_555 |
6 |
3 |
4268 |
37.9 |
-5.5 |
0.000 |
0 |
0 |
0 |
0.068 |
30 |
|
[NA]A:110 |
1 |
1 |
125 |
x |
B |
x,y,z |
1_555 |
6 |
3 |
4479 |
37.8 |
-5.5 |
0.000 |
0 |
0 |
0 |
0.068 |
Average: |
37.9 |
-5.5 |
0.000 |
0 |
0 |
0 |
0.068 |
17 |
31 |
|
[NA]A:104 |
1 |
1 |
125 |
x |
B |
x,y,z |
1_555 |
7 |
3 |
4479 |
37.2 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.055 |
32 |
|
[NA]A:104 |
1 |
1 |
125 |
x |
A |
x,y,z |
1_555 |
6 |
3 |
4268 |
36.9 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.055 |
Average: |
37.0 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.055 |
18 |
33 |
|
[NA]A:111 |
1 |
1 |
125 |
x |
B |
x,y,z |
1_555 |
8 |
3 |
4479 |
37.1 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.059 |
34 |
|
[NA]A:111 |
1 |
1 |
125 |
x |
A |
x,y,z |
1_555 |
6 |
3 |
4268 |
35.3 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.059 |
Average: |
36.2 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.059 |
19 |
35 |
|
[NA]B:101 |
1 |
1 |
125 |
x |
A |
x,y,z |
1_555 |
7 |
3 |
4268 |
36.8 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.027 |
20 |
36 |
|
[NA]A:103 |
1 |
1 |
125 |
x |
A |
x,y,z |
1_555 |
5 |
2 |
4268 |
36.3 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.052 |
37 |
|
[NA]A:103 |
1 |
1 |
125 |
x |
B |
x,y,z |
1_555 |
3 |
1 |
4479 |
30.4 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.052 |
Average: |
33.4 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.052 |
21 |
38 |
|
A |
3 |
1 |
4268 |
x |
A |
-x+1,-y,z-1 |
2_654 |
2 |
1 |
4268 |
30.6 |
-1.1 |
0.349 |
1 |
0 |
0 |
0.000 |
39 |
|
B |
1 |
1 |
4479 |
x |
B |
-x+1,-y,z-1 |
2_654 |
1 |
1 |
4479 |
0.5 |
-0.0 |
0.331 |
0 |
0 |
0 |
0.000 |
Average: |
15.5 |
-0.6 |
0.340 |
1 |
0 |
0 |
0.000 |
22 |
40 |
|
[LI]A:102 |
1 |
1 |
130 |
x |
A |
x,y,z |
1_555 |
6 |
2 |
4268 |
30.1 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.031 |
41 |
|
[LI]A:102 |
1 |
1 |
130 |
x |
B |
x,y,z |
1_555 |
3 |
1 |
4479 |
29.2 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.031 |
Average: |
29.6 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.031 |
23 |
42 |
|
A |
9 |
3 |
4268 |
x |
[NH4]B:102 |
x,y,z-1 |
1_554 |
1 |
1 |
117 |
27.6 |
-0.6 |
0.655 |
0 |
0 |
0 |
0.000 |
43 |
|
B |
3 |
1 |
4479 |
x |
[NH4]B:102 |
x,y,z-1 |
1_554 |
1 |
1 |
117 |
6.9 |
-0.1 |
0.618 |
0 |
0 |
0 |
0.000 |
Average: |
17.3 |
-0.3 |
0.637 |
0 |
0 |
0 |
0.000 |
24 |
44 |
|
[LI]A:102 |
1 |
1 |
130 |
x |
B |
x,y,z-1 |
1_554 |
4 |
1 |
4479 |
26.7 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.000 |
25 |
45 |
|
[NA]A:110 |
1 |
1 |
125 |
f |
[LI]A:101 |
x,y,z |
1_555 |
1 |
1 |
130 |
26.4 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.012 |
26 |
46 |
|
[NA]A:105 |
1 |
1 |
125 |
f |
[NA]A:104 |
x,y,z |
1_555 |
1 |
1 |
125 |
25.5 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.016 |
27 |
47 |
|
[NA]B:101 |
1 |
1 |
125 |
f |
[NA]A:113 |
x,y,z |
1_555 |
1 |
1 |
125 |
25.4 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.016 |
28 |
48 |
|
[PB]A:112 |
1 |
1 |
147 |
f |
[LI]A:101 |
x,y,z |
1_555 |
1 |
1 |
130 |
25.1 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.004 |
29 |
49 |
|
[NH4]B:102 |
1 |
1 |
117 |
x |
B |
x,y,z |
1_555 |
4 |
1 |
4479 |
25.1 |
0.6 |
0.762 |
0 |
0 |
0 |
0.000 |
50 |
|
[NH4]B:102 |
1 |
1 |
117 |
x |
A |
x,y,z |
1_555 |
3 |
2 |
4268 |
14.9 |
0.4 |
0.763 |
0 |
0 |
0 |
0.000 |
Average: |
20.0 |
0.5 |
0.763 |
0 |
0 |
0 |
0.000 |
30 |
51 |
|
[LI]A:102 |
1 |
1 |
130 |
◊ |
[NH4]B:102 |
x,y,z-1 |
1_554 |
1 |
1 |
117 |
24.1 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.000 |
31 |
52 |
|
[NA]A:111 |
1 |
1 |
125 |
f |
[LI]A:102 |
x,y,z |
1_555 |
1 |
1 |
130 |
23.2 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.011 |
32 |
53 |
|
[PB]A:112 |
1 |
1 |
147 |
f |
[NA]A:111 |
x,y,z |
1_555 |
1 |
1 |
125 |
23.1 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.007 |
33 |
54 |
|
[NA]A:108 |
1 |
1 |
125 |
f |
[NA]A:107 |
x,y,z |
1_555 |
1 |
1 |
125 |
22.5 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.014 |
34 |
55 |
|
[NA]A:107 |
1 |
1 |
125 |
f |
[NA]A:106 |
x,y,z |
1_555 |
1 |
1 |
125 |
22.5 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.014 |
35 |
56 |
|
A |
4 |
1 |
4268 |
x |
[NA]A:103 |
x,y,z-1 |
1_554 |
1 |
1 |
125 |
21.6 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.000 |
36 |
57 |
|
[NA]B:101 |
1 |
1 |
125 |
f |
[NA]A:103 |
x,y,z |
1_555 |
1 |
1 |
125 |
19.9 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.012 |
37 |
58 |
|
[NA]A:109 |
1 |
1 |
125 |
f |
[NA]A:108 |
x,y,z |
1_555 |
1 |
1 |
125 |
19.5 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.012 |
38 |
59 |
|
[NA]A:110 |
1 |
1 |
125 |
f |
[NA]A:109 |
x,y,z |
1_555 |
1 |
1 |
125 |
19.5 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.012 |
39 |
60 |
|
[NA]A:106 |
1 |
1 |
125 |
f |
[NA]A:105 |
x,y,z |
1_555 |
1 |
1 |
125 |
18.7 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.012 |
40 |
61 |
|
[NA]A:113 |
1 |
1 |
125 |
f |
[NA]A:104 |
x,y,z |
1_555 |
1 |
1 |
125 |
18.5 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.011 |
41 |
62 |
|
[NH4]B:102 |
1 |
1 |
117 |
f |
[NA]A:103 |
x,y,z |
1_555 |
1 |
1 |
125 |
17.8 |
-1.5 |
0.000 |
0 |
0 |
0 |
0.005 |
42 |
63 |
|
A |
1 |
1 |
4268 |
x |
A |
x-1/2,-y+1/2,-z-1 |
4_454 |
1 |
1 |
4268 |
4.3 |
-0.5 |
0.173 |
0 |
0 |
0 |
0.000 |
43 |
64 |
|
[NA]A:111 |
1 |
1 |
125 |
x |
B |
x,y,z-1 |
1_554 |
2 |
1 |
4479 |
3.5 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.000 |
44 |
65 |
|
B |
1 |
1 |
4479 |
x |
B |
-x+1/2,y-1/2,-z-1 |
3_544 |
1 |
1 |
4479 |
2.3 |
-0.2 |
0.207 |
0 |
0 |
0 |
0.000 |
45 |
66 |
|
[PB]A:112 |
1 |
1 |
147 |
f |
[NA]A:110 |
x,y,z |
1_555 |
1 |
1 |
125 |
0.5 |
-0.0 |
0.000 |
0 |
0 |
0 |
0.000 |
|