## |
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 |
205 |
56 |
15558 |
◊ |
C |
-x+1,y,-z+1 |
2_656 |
204 |
56 |
15558 |
1953.0 |
-37.1 |
0.004 |
10 |
10 |
0 |
0.465 |
2 |
|
B |
199 |
56 |
15722 |
◊ |
A |
x,y,z |
1_555 |
192 |
55 |
15653 |
1919.8 |
-33.3 |
0.005 |
15 |
9 |
0 |
0.465 |
Average: |
1936.4 |
-35.2 |
0.004 |
13 |
10 |
0 |
0.465 |
2 |
3 |
|
A |
93 |
31 |
15653 |
◊ |
B |
-x+1/2,y-1/2,-z |
4_545 |
96 |
31 |
15722 |
876.0 |
6.2 |
0.975 |
5 |
9 |
0 |
0.000 |
3 |
4 |
|
C |
59 |
18 |
15558 |
◊ |
A |
x,y,z |
1_555 |
77 |
21 |
15653 |
641.9 |
-3.8 |
0.569 |
7 |
4 |
0 |
0.000 |
4 |
5 |
|
B |
70 |
18 |
15722 |
◊ |
C |
x,y,z-1 |
1_554 |
64 |
18 |
15558 |
611.6 |
-8.2 |
0.220 |
4 |
4 |
0 |
0.000 |
5 |
6 |
|
[C6J]C:401 |
17 |
1 |
402 |
f |
C |
x,y,z |
1_555 |
46 |
21 |
15558 |
267.5 |
0.8 |
0.663 |
7 |
0 |
0 |
0.050 |
7 |
|
[C6J]A:401 |
17 |
1 |
400 |
f |
A |
x,y,z |
1_555 |
48 |
21 |
15653 |
264.8 |
0.5 |
0.663 |
5 |
0 |
0 |
0.050 |
8 |
|
[C6J]B:401 |
17 |
1 |
398 |
f |
B |
x,y,z |
1_555 |
46 |
20 |
15722 |
264.4 |
0.5 |
0.654 |
7 |
0 |
0 |
0.050 |
Average: |
265.6 |
0.6 |
0.660 |
6 |
0 |
0 |
0.050 |
6 |
9 |
|
B |
16 |
5 |
15722 |
◊ |
C |
-x+1/2,y-1/2,-z |
4_545 |
19 |
7 |
15558 |
147.0 |
-0.4 |
0.627 |
1 |
0 |
0 |
0.000 |
7 |
10 |
|
[EDO]C:405 |
4 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
28 |
13 |
15558 |
124.9 |
3.8 |
0.715 |
3 |
0 |
0 |
0.000 |
8 |
11 |
|
A |
9 |
4 |
15653 |
◊ |
C |
-x+1/2,y-1/2,-z+1 |
4_546 |
9 |
5 |
15558 |
91.9 |
0.3 |
0.555 |
2 |
2 |
0 |
0.000 |
9 |
12 |
|
[EDO]B:406 |
4 |
1 |
186 |
◊ |
A |
x,y,z |
1_555 |
13 |
4 |
15653 |
89.7 |
2.6 |
0.269 |
0 |
0 |
0 |
0.000 |
10 |
13 |
|
B |
9 |
3 |
15722 |
◊ |
B |
-x+1,y,-z |
2_655 |
9 |
3 |
15722 |
87.8 |
0.7 |
0.783 |
0 |
0 |
0 |
0.000 |
11 |
14 |
|
[EDO]A:405 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
13 |
4 |
15722 |
86.4 |
2.5 |
0.458 |
0 |
0 |
0 |
0.000 |
12 |
15 |
|
B |
7 |
6 |
15722 |
◊ |
A |
x,y,z-1 |
1_554 |
8 |
3 |
15653 |
79.2 |
-0.3 |
0.574 |
0 |
0 |
0 |
0.000 |
13 |
16 |
|
[EDO]C:406 |
4 |
1 |
184 |
◊ |
C |
-x+1,y,-z+1 |
2_656 |
11 |
4 |
15558 |
76.7 |
2.2 |
0.270 |
1 |
0 |
0 |
0.000 |
14 |
17 |
|
[EDO]B:405 |
4 |
1 |
187 |
f |
B |
x,y,z |
1_555 |
13 |
5 |
15722 |
65.4 |
1.4 |
0.825 |
3 |
0 |
0 |
0.000 |
15 |
18 |
|
[EDO]C:406 |
3 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
7 |
4 |
15558 |
54.5 |
1.2 |
0.260 |
1 |
0 |
0 |
0.000 |
16 |
19 |
|
[EDO]A:405 |
3 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
5 |
2 |
15653 |
49.0 |
0.9 |
0.689 |
1 |
0 |
0 |
0.000 |
17 |
20 |
|
[MG]B:404 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
12 |
7 |
15722 |
45.4 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.106 |
21 |
|
[MG]A:404 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
14 |
7 |
15653 |
45.3 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.106 |
22 |
|
[MG]C:404 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
11 |
7 |
15558 |
45.1 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.106 |
Average: |
45.3 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.106 |
18 |
23 |
|
[EDO]B:406 |
3 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
4 |
2 |
15722 |
44.1 |
0.8 |
0.735 |
1 |
0 |
0 |
0.000 |
19 |
24 |
|
A |
3 |
1 |
15653 |
◊ |
C |
-x+1/2,y-1/2,-z |
4_545 |
5 |
1 |
15558 |
39.2 |
0.1 |
0.679 |
0 |
2 |
0 |
0.000 |
20 |
25 |
|
[MG]C:402 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
11 |
6 |
15558 |
38.0 |
-5.3 |
0.000 |
0 |
0 |
0 |
0.115 |
26 |
|
[MG]B:402 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
11 |
6 |
15722 |
38.0 |
-5.3 |
0.000 |
0 |
0 |
0 |
0.115 |
27 |
|
[MG]A:402 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
10 |
6 |
15653 |
37.3 |
-5.3 |
0.000 |
0 |
0 |
0 |
0.115 |
Average: |
37.8 |
-5.3 |
0.000 |
0 |
0 |
0 |
0.115 |
21 |
28 |
|
[MG]C:404 |
1 |
1 |
98 |
f |
[C6J]C:401 |
x,y,z |
1_555 |
3 |
1 |
402 |
33.1 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.083 |
29 |
|
[MG]A:404 |
1 |
1 |
98 |
f |
[C6J]A:401 |
x,y,z |
1_555 |
3 |
1 |
400 |
32.7 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.083 |
30 |
|
[MG]B:404 |
1 |
1 |
98 |
f |
[C6J]B:401 |
x,y,z |
1_555 |
3 |
1 |
398 |
32.4 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.083 |
Average: |
32.8 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.083 |
22 |
31 |
|
[MG]B:403 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
9 |
6 |
15722 |
31.7 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.091 |
32 |
|
[MG]C:403 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
9 |
6 |
15558 |
31.5 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.091 |
33 |
|
[MG]A:403 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
8 |
5 |
15653 |
31.3 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.091 |
Average: |
31.5 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.091 |
23 |
34 |
|
[MG]A:403 |
1 |
1 |
98 |
f |
[C6J]A:401 |
x,y,z |
1_555 |
5 |
1 |
400 |
30.7 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.072 |
35 |
|
[MG]C:403 |
1 |
1 |
98 |
f |
[C6J]C:401 |
x,y,z |
1_555 |
6 |
1 |
402 |
30.6 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.072 |
36 |
|
[MG]B:403 |
1 |
1 |
98 |
f |
[C6J]B:401 |
x,y,z |
1_555 |
5 |
1 |
398 |
30.4 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.072 |
Average: |
30.6 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.072 |
24 |
37 |
|
[MG]C:402 |
1 |
1 |
98 |
f |
[C6J]C:401 |
x,y,z |
1_555 |
5 |
1 |
402 |
27.3 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.056 |
38 |
|
[MG]A:402 |
1 |
1 |
98 |
f |
[C6J]A:401 |
x,y,z |
1_555 |
5 |
1 |
400 |
27.3 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.056 |
39 |
|
[MG]B:402 |
1 |
1 |
98 |
f |
[C6J]B:401 |
x,y,z |
1_555 |
5 |
1 |
398 |
26.9 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.056 |
Average: |
27.2 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.056 |
25 |
40 |
|
[MG]B:403 |
1 |
1 |
98 |
f |
[MG]B:402 |
x,y,z |
1_555 |
1 |
1 |
98 |
13.6 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.029 |
26 |
41 |
|
[MG]A:403 |
1 |
1 |
98 |
f |
[MG]A:402 |
x,y,z |
1_555 |
1 |
1 |
98 |
13.5 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.028 |
27 |
42 |
|
[MG]C:403 |
1 |
1 |
98 |
f |
[MG]C:402 |
x,y,z |
1_555 |
1 |
1 |
98 |
13.5 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.058 |
28 |
43 |
|
[EDO]B:405 |
1 |
1 |
187 |
◊ |
C |
x,y,z-1 |
1_554 |
2 |
2 |
15558 |
10.0 |
0.1 |
0.760 |
0 |
0 |
0 |
0.000 |
29 |
44 |
|
C |
2 |
2 |
15558 |
◊ |
B |
-x+1,y,-z+1 |
2_656 |
1 |
1 |
15722 |
7.5 |
-0.2 |
0.385 |
0 |
0 |
0 |
0.000 |
30 |
45 |
|
[MG]C:404 |
1 |
1 |
98 |
f |
[MG]C:403 |
x,y,z |
1_555 |
1 |
1 |
98 |
4.7 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.020 |
31 |
46 |
|
[MG]A:404 |
1 |
1 |
98 |
f |
[MG]A:403 |
x,y,z |
1_555 |
1 |
1 |
98 |
4.4 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.009 |
32 |
47 |
|
[MG]B:404 |
1 |
1 |
98 |
f |
[MG]B:403 |
x,y,z |
1_555 |
1 |
1 |
98 |
3.9 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.008 |
|