## |
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 |
209 |
56 |
15420 |
◊ |
C |
-x+1,y,-z+1 |
2_656 |
208 |
56 |
15420 |
1959.5 |
-37.7 |
0.004 |
12 |
10 |
0 |
0.487 |
2 |
|
B |
199 |
56 |
15642 |
◊ |
A |
x,y,z |
1_555 |
187 |
56 |
15731 |
1913.8 |
-32.7 |
0.006 |
16 |
9 |
0 |
0.487 |
Average: |
1936.6 |
-35.2 |
0.005 |
14 |
10 |
0 |
0.487 |
2 |
3 |
|
A |
95 |
31 |
15731 |
◊ |
B |
-x+1/2,y-1/2,-z |
4_545 |
95 |
31 |
15642 |
867.0 |
5.7 |
0.974 |
6 |
10 |
0 |
0.000 |
3 |
4 |
|
C |
58 |
18 |
15420 |
◊ |
A |
x,y,z |
1_555 |
77 |
21 |
15731 |
632.3 |
-3.7 |
0.580 |
7 |
4 |
0 |
0.000 |
4 |
5 |
|
B |
71 |
19 |
15642 |
◊ |
C |
x,y,z-1 |
1_554 |
64 |
17 |
15420 |
616.0 |
-8.3 |
0.218 |
4 |
4 |
0 |
0.000 |
5 |
6 |
|
[C6M]C:401 |
18 |
1 |
454 |
f |
C |
x,y,z |
1_555 |
48 |
24 |
15420 |
300.9 |
0.0 |
0.645 |
6 |
0 |
0 |
0.057 |
7 |
|
[C6M]B:401 |
18 |
1 |
452 |
f |
B |
x,y,z |
1_555 |
50 |
22 |
15642 |
296.6 |
-0.1 |
0.700 |
5 |
0 |
0 |
0.057 |
8 |
|
[C6M]A:401 |
18 |
1 |
446 |
f |
A |
x,y,z |
1_555 |
47 |
21 |
15731 |
294.3 |
-0.1 |
0.678 |
5 |
0 |
0 |
0.057 |
Average: |
297.3 |
-0.1 |
0.674 |
5 |
0 |
0 |
0.057 |
6 |
9 |
|
B |
15 |
5 |
15642 |
◊ |
C |
-x+1/2,y-1/2,-z |
4_545 |
20 |
9 |
15420 |
141.8 |
-0.5 |
0.620 |
1 |
0 |
0 |
0.000 |
7 |
10 |
|
[EDO]C:405 |
4 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
28 |
13 |
15420 |
124.7 |
3.8 |
0.720 |
4 |
0 |
0 |
0.000 |
8 |
11 |
|
B |
10 |
3 |
15642 |
◊ |
B |
-x+1,y,-z |
2_655 |
10 |
3 |
15642 |
102.0 |
0.7 |
0.784 |
2 |
0 |
0 |
0.000 |
9 |
12 |
|
[EDO]B:406 |
4 |
1 |
186 |
◊ |
A |
x,y,z |
1_555 |
13 |
4 |
15731 |
88.0 |
2.5 |
0.452 |
0 |
0 |
0 |
0.000 |
10 |
13 |
|
[EDO]A:405 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
13 |
4 |
15642 |
85.8 |
2.4 |
0.267 |
0 |
0 |
0 |
0.000 |
14 |
|
[EDO]C:406 |
4 |
1 |
184 |
◊ |
C |
-x+1,y,-z+1 |
2_656 |
11 |
4 |
15420 |
76.6 |
2.1 |
0.270 |
1 |
0 |
0 |
0.000 |
Average: |
81.2 |
2.3 |
0.268 |
1 |
0 |
0 |
0.000 |
11 |
15 |
|
[EDO]C:407 |
4 |
1 |
185 |
◊ |
C |
-x+1,y,-z+1 |
2_656 |
18 |
5 |
15420 |
84.4 |
1.9 |
0.251 |
0 |
0 |
0 |
0.000 |
12 |
16 |
|
[EDO]A:406 |
4 |
1 |
186 |
◊ |
A |
x,y,z |
1_555 |
13 |
5 |
15731 |
83.9 |
1.4 |
0.230 |
1 |
0 |
0 |
0.000 |
13 |
17 |
|
[EDO]A:406 |
4 |
1 |
186 |
f |
B |
-x+1/2,y-1/2,-z |
4_545 |
12 |
4 |
15642 |
77.4 |
1.7 |
0.415 |
2 |
0 |
0 |
0.000 |
14 |
18 |
|
B |
10 |
4 |
15642 |
◊ |
A |
x,y,z-1 |
1_554 |
7 |
3 |
15731 |
74.6 |
-1.3 |
0.342 |
0 |
0 |
0 |
0.000 |
15 |
19 |
|
A |
9 |
4 |
15731 |
◊ |
C |
-x+1/2,y-1/2,-z+1 |
4_546 |
8 |
4 |
15420 |
73.6 |
-0.3 |
0.497 |
2 |
2 |
0 |
0.000 |
16 |
20 |
|
[EDO]C:407 |
4 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
15 |
3 |
15420 |
72.3 |
1.3 |
0.260 |
2 |
0 |
0 |
0.000 |
17 |
21 |
|
[EDO]B:405 |
4 |
1 |
187 |
◊ |
B |
x,y,z |
1_555 |
12 |
5 |
15642 |
67.0 |
1.5 |
0.826 |
2 |
0 |
0 |
0.000 |
18 |
22 |
|
[EDO]C:406 |
3 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
6 |
3 |
15420 |
51.9 |
1.1 |
0.724 |
1 |
0 |
0 |
0.000 |
19 |
23 |
|
A |
2 |
1 |
15731 |
◊ |
C |
-x+1/2,y-1/2,-z |
4_545 |
8 |
2 |
15420 |
51.6 |
0.4 |
0.699 |
0 |
2 |
0 |
0.000 |
20 |
24 |
|
[EDO]A:405 |
3 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
5 |
2 |
15731 |
48.8 |
0.9 |
0.686 |
1 |
0 |
0 |
0.000 |
21 |
25 |
|
[EDO]B:406 |
3 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
6 |
3 |
15642 |
46.2 |
0.8 |
0.747 |
1 |
0 |
0 |
0.000 |
22 |
26 |
|
[MG]A:404 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
12 |
7 |
15731 |
44.7 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.108 |
27 |
|
[MG]B:404 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
12 |
6 |
15642 |
44.6 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.108 |
28 |
|
[MG]C:404 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
10 |
7 |
15420 |
43.9 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.108 |
Average: |
44.4 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.108 |
23 |
29 |
|
[MG]B:402 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
13 |
7 |
15642 |
38.2 |
-5.3 |
0.000 |
0 |
0 |
0 |
0.117 |
30 |
|
[MG]A:402 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
11 |
6 |
15731 |
37.8 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.117 |
31 |
|
[MG]C:402 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
11 |
6 |
15420 |
37.3 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.117 |
Average: |
37.8 |
-5.3 |
0.000 |
0 |
0 |
0 |
0.117 |
24 |
32 |
|
[MG]C:404 |
1 |
1 |
98 |
f |
[C6M]C:401 |
x,y,z |
1_555 |
3 |
1 |
454 |
33.3 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.084 |
33 |
|
[MG]B:404 |
1 |
1 |
98 |
f |
[C6M]B:401 |
x,y,z |
1_555 |
3 |
1 |
452 |
32.6 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.084 |
34 |
|
[MG]A:404 |
1 |
1 |
98 |
f |
[C6M]A:401 |
x,y,z |
1_555 |
3 |
1 |
446 |
32.6 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.084 |
Average: |
32.8 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.084 |
25 |
35 |
|
[MG]A:403 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
9 |
6 |
15731 |
32.5 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.091 |
36 |
|
[MG]B:403 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
9 |
6 |
15642 |
31.7 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.091 |
37 |
|
[MG]C:403 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
8 |
5 |
15420 |
31.0 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.091 |
Average: |
31.7 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.091 |
26 |
38 |
|
[MG]C:403 |
1 |
1 |
98 |
f |
[C6M]C:401 |
x,y,z |
1_555 |
7 |
1 |
454 |
30.9 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.073 |
39 |
|
[MG]A:403 |
1 |
1 |
98 |
f |
[C6M]A:401 |
x,y,z |
1_555 |
5 |
1 |
446 |
30.8 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.073 |
40 |
|
[MG]B:403 |
1 |
1 |
98 |
f |
[C6M]B:401 |
x,y,z |
1_555 |
6 |
1 |
452 |
30.5 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.073 |
Average: |
30.8 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.073 |
27 |
41 |
|
[MG]A:402 |
1 |
1 |
98 |
f |
[C6M]A:401 |
x,y,z |
1_555 |
5 |
1 |
446 |
27.5 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.056 |
42 |
|
[MG]B:402 |
1 |
1 |
98 |
f |
[C6M]B:401 |
x,y,z |
1_555 |
5 |
1 |
452 |
27.3 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.056 |
43 |
|
[MG]C:402 |
1 |
1 |
98 |
f |
[C6M]C:401 |
x,y,z |
1_555 |
5 |
1 |
454 |
27.2 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.056 |
Average: |
27.3 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.056 |
28 |
44 |
|
[MG]C:403 |
1 |
1 |
98 |
f |
[MG]C:402 |
x,y,z |
1_555 |
1 |
1 |
98 |
13.8 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.060 |
29 |
45 |
|
[MG]B:403 |
1 |
1 |
98 |
f |
[MG]B:402 |
x,y,z |
1_555 |
1 |
1 |
98 |
13.7 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.029 |
30 |
46 |
|
[MG]A:403 |
1 |
1 |
98 |
f |
[MG]A:402 |
x,y,z |
1_555 |
1 |
1 |
98 |
13.0 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.027 |
31 |
47 |
|
C |
3 |
2 |
15420 |
◊ |
B |
-x+1,y,-z+1 |
2_656 |
1 |
1 |
15642 |
8.6 |
-0.1 |
0.396 |
0 |
0 |
0 |
0.000 |
32 |
48 |
|
[MG]C:404 |
1 |
1 |
98 |
f |
[MG]C:403 |
x,y,z |
1_555 |
1 |
1 |
98 |
4.5 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.020 |
33 |
49 |
|
[MG]A:404 |
1 |
1 |
98 |
f |
[MG]A:403 |
x,y,z |
1_555 |
1 |
1 |
98 |
4.2 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.009 |
34 |
50 |
|
[MG]B:404 |
1 |
1 |
98 |
f |
[MG]B:403 |
x,y,z |
1_555 |
1 |
1 |
98 |
3.7 |
-0.7 |
0.000 |
0 |
0 |
0 |
0.008 |
35 |
51 |
|
[EDO]B:405 |
1 |
1 |
187 |
f |
C |
x,y,z-1 |
1_554 |
2 |
2 |
15420 |
3.4 |
0.1 |
0.839 |
0 |
0 |
0 |
0.000 |
|