## |
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 |
|
C |
312 |
69 |
10266 |
◊ |
D |
x,y,z |
1_555 |
304 |
73 |
10062 |
3148.2 |
-45.6 |
0.006 |
37 |
6 |
0 |
0.720 |
2 |
|
B |
287 |
68 |
9881 |
◊ |
A |
x,y,z |
1_555 |
269 |
67 |
9610 |
2998.4 |
-40.4 |
0.032 |
39 |
10 |
0 |
0.720 |
Average: |
3073.3 |
-43.0 |
0.019 |
38 |
8 |
0 |
0.720 |
2 |
3 |
|
M |
157 |
36 |
8237 |
◊ |
L |
x,y,z |
1_555 |
167 |
36 |
8327 |
1567.7 |
-11.5 |
0.915 |
69 |
0 |
0 |
1.000 |
3 |
4 |
|
D |
103 |
26 |
10062 |
◊ |
A |
x,y,z |
1_555 |
102 |
26 |
9610 |
899.5 |
-5.2 |
0.537 |
14 |
2 |
0 |
0.256 |
4 |
5 |
|
C |
94 |
25 |
10266 |
◊ |
B |
x,y,z |
1_555 |
91 |
25 |
9881 |
860.3 |
-5.8 |
0.436 |
13 |
3 |
0 |
0.339 |
5 |
6 |
|
L |
54 |
9 |
8327 |
◊ |
D |
x,y,z |
1_555 |
43 |
14 |
10062 |
482.2 |
-7.4 |
0.535 |
11 |
0 |
0 |
0.490 |
6 |
7 |
|
D |
45 |
12 |
10062 |
◊ |
B |
x-1/2,-y-1/2,-z |
4_445 |
58 |
12 |
9881 |
430.0 |
-4.0 |
0.428 |
2 |
1 |
0 |
0.000 |
7 |
8 |
|
M |
44 |
8 |
8237 |
◊ |
A |
x,y,z |
1_555 |
36 |
14 |
9610 |
378.0 |
-6.5 |
0.487 |
10 |
0 |
0 |
0.181 |
8 |
9 |
|
M |
37 |
6 |
8237 |
◊ |
C |
x,y,z |
1_555 |
30 |
9 |
10266 |
336.0 |
-4.2 |
0.511 |
9 |
0 |
0 |
0.052 |
9 |
10 |
|
L |
38 |
6 |
8327 |
◊ |
B |
x,y,z |
1_555 |
28 |
8 |
9881 |
327.3 |
-6.3 |
0.452 |
8 |
0 |
0 |
0.202 |
10 |
11 |
|
M |
32 |
8 |
8237 |
◊ |
D |
x,y,z |
1_555 |
30 |
7 |
10062 |
261.1 |
-2.2 |
0.639 |
4 |
0 |
0 |
0.066 |
11 |
12 |
|
L |
28 |
8 |
8327 |
◊ |
A |
x,y,z |
1_555 |
30 |
8 |
9610 |
240.1 |
-4.4 |
0.542 |
3 |
0 |
0 |
0.090 |
12 |
13 |
|
L |
26 |
8 |
8327 |
◊ |
C |
x,y,z |
1_555 |
28 |
7 |
10266 |
203.7 |
-2.8 |
0.525 |
2 |
0 |
0 |
0.076 |
13 |
14 |
|
M |
26 |
7 |
8237 |
◊ |
B |
x,y,z |
1_555 |
21 |
6 |
9881 |
176.0 |
-0.8 |
0.633 |
3 |
0 |
0 |
0.022 |
14 |
15 |
|
C |
19 |
4 |
10266 |
◊ |
B |
x-1/2,-y-1/2,-z |
4_445 |
16 |
5 |
9881 |
158.9 |
-1.3 |
0.366 |
0 |
0 |
0 |
0.000 |
15 |
16 |
|
M |
13 |
1 |
8237 |
x |
M |
-x-1/2,-y,z-1/2 |
2_454 |
13 |
1 |
8237 |
99.0 |
3.7 |
0.887 |
0 |
0 |
0 |
0.000 |
16 |
17 |
|
B |
16 |
3 |
9881 |
◊ |
C |
x-1/2,-y-1/2,-z |
4_445 |
9 |
3 |
10266 |
97.2 |
0.9 |
0.737 |
0 |
1 |
0 |
0.000 |
17 |
18 |
|
L |
17 |
1 |
8327 |
x |
L |
-x-1/2,-y,z-1/2 |
2_454 |
14 |
1 |
8327 |
96.0 |
2.7 |
0.871 |
0 |
0 |
0 |
0.000 |
18 |
19 |
|
L |
9 |
2 |
8327 |
◊ |
M |
-x-1/2,-y,z-1/2 |
2_454 |
10 |
2 |
8237 |
84.3 |
-1.2 |
0.556 |
4 |
0 |
0 |
0.000 |
19 |
20 |
|
C |
9 |
4 |
10266 |
◊ |
A |
x,y,z |
1_555 |
8 |
3 |
9610 |
71.8 |
-2.7 |
0.055 |
0 |
0 |
0 |
0.020 |
21 |
|
B |
8 |
3 |
9881 |
◊ |
D |
x,y,z |
1_555 |
8 |
3 |
10062 |
57.3 |
-1.8 |
0.118 |
0 |
0 |
0 |
0.020 |
Average: |
64.6 |
-2.2 |
0.087 |
0 |
0 |
0 |
0.020 |
20 |
22 |
|
A |
9 |
5 |
9610 |
◊ |
B |
x-1/2,-y-1/2,-z |
4_445 |
8 |
2 |
9881 |
69.7 |
0.4 |
0.736 |
0 |
0 |
0 |
0.000 |
21 |
23 |
|
B |
12 |
5 |
9881 |
x |
B |
x-1/2,-y-1/2,-z |
4_445 |
6 |
2 |
9881 |
54.4 |
1.1 |
0.805 |
1 |
0 |
0 |
0.000 |
22 |
24 |
|
[NI]A:203 |
1 |
1 |
115 |
f |
D |
x,y,z |
1_555 |
7 |
4 |
10062 |
41.0 |
-7.6 |
0.000 |
0 |
0 |
0 |
0.326 |
25 |
|
[NI]A:201 |
1 |
1 |
115 |
f |
A |
x,y,z |
1_555 |
9 |
4 |
9610 |
40.6 |
-7.3 |
0.000 |
0 |
0 |
0 |
0.326 |
Average: |
40.8 |
-7.5 |
0.000 |
0 |
0 |
0 |
0.326 |
23 |
26 |
|
[NI]B:202 |
1 |
1 |
115 |
f |
C |
x,y,z |
1_555 |
10 |
5 |
10266 |
40.9 |
-7.3 |
0.000 |
0 |
0 |
0 |
0.418 |
27 |
|
[NI]B:201 |
1 |
1 |
115 |
f |
B |
x,y,z |
1_555 |
8 |
4 |
9881 |
40.1 |
-7.4 |
0.000 |
0 |
0 |
0 |
0.418 |
Average: |
40.5 |
-7.4 |
0.000 |
0 |
0 |
0 |
0.418 |
24 |
28 |
|
[MG]A:202 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
7 |
6 |
9610 |
38.4 |
-5.5 |
0.000 |
0 |
0 |
0 |
0.234 |
29 |
|
[MG]C:201 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
9 |
6 |
10062 |
36.1 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.234 |
Average: |
37.2 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.234 |
25 |
30 |
|
[NI]B:202 |
1 |
1 |
115 |
◊ |
B |
x,y,z |
1_555 |
5 |
2 |
9881 |
38.2 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.243 |
31 |
|
[NI]B:201 |
1 |
1 |
115 |
◊ |
C |
x,y,z |
1_555 |
6 |
3 |
10266 |
37.8 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.243 |
Average: |
38.0 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.243 |
26 |
32 |
|
[NI]A:201 |
1 |
1 |
115 |
◊ |
D |
x,y,z |
1_555 |
5 |
2 |
10062 |
37.8 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.184 |
33 |
|
[NI]A:203 |
1 |
1 |
115 |
◊ |
A |
x,y,z |
1_555 |
4 |
2 |
9610 |
36.0 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.184 |
Average: |
36.9 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.184 |
27 |
34 |
|
[MG]C:201 |
1 |
1 |
98 |
◊ |
C |
x,y,z |
1_555 |
8 |
4 |
10266 |
33.6 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.049 |
35 |
|
[MG]A:202 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
7 |
3 |
9881 |
32.7 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.049 |
Average: |
33.1 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.049 |
28 |
36 |
|
A |
2 |
1 |
9610 |
◊ |
C |
x-1/2,-y-1/2,-z |
4_445 |
1 |
1 |
10266 |
12.6 |
0.8 |
0.893 |
0 |
0 |
0 |
0.000 |
|