## |
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 |
|
E |
251 |
66 |
14430 |
◊ |
C |
x,y,z |
1_555 |
249 |
67 |
14406 |
2275.4 |
-18.5 |
0.554 |
37 |
8 |
0 |
0.211 |
2 |
|
B |
251 |
67 |
14418 |
◊ |
A |
x,y,z |
1_555 |
249 |
67 |
14445 |
2272.1 |
-18.5 |
0.552 |
37 |
8 |
0 |
0.211 |
3 |
|
F |
251 |
66 |
14456 |
◊ |
D |
x,y,z |
1_555 |
249 |
65 |
14445 |
2266.1 |
-18.4 |
0.555 |
37 |
8 |
0 |
0.211 |
Average: |
2271.2 |
-18.5 |
0.553 |
37 |
8 |
0 |
0.211 |
2 |
4 |
|
E |
140 |
37 |
14430 |
x |
D |
x,y,z |
1_555 |
131 |
34 |
14445 |
1240.4 |
-20.5 |
0.079 |
8 |
3 |
0 |
0.260 |
5 |
|
B |
127 |
34 |
14418 |
x |
C |
-y+1,x,z |
3_655 |
141 |
37 |
14406 |
1240.0 |
-20.5 |
0.076 |
8 |
3 |
0 |
0.260 |
6 |
|
A |
142 |
37 |
14445 |
x |
A |
-y+1,x,z |
3_655 |
128 |
33 |
14445 |
1237.7 |
-20.4 |
0.089 |
8 |
3 |
0 |
0.260 |
7 |
|
F |
129 |
33 |
14456 |
x |
F |
-y+1,x,z |
3_655 |
140 |
37 |
14456 |
1234.3 |
-20.4 |
0.084 |
8 |
3 |
0 |
0.260 |
8 |
|
E |
127 |
33 |
14430 |
x |
B |
x,y,z |
1_555 |
137 |
37 |
14418 |
1232.4 |
-20.4 |
0.072 |
8 |
3 |
0 |
0.260 |
9 |
|
D |
141 |
37 |
14445 |
x |
C |
-y+1,x,z |
3_655 |
128 |
33 |
14406 |
1232.3 |
-20.3 |
0.083 |
8 |
3 |
0 |
0.260 |
Average: |
1236.2 |
-20.4 |
0.081 |
8 |
3 |
0 |
0.260 |
3 |
10 |
|
D |
46 |
10 |
14445 |
◊ |
E |
-y+1,x,z |
3_655 |
41 |
12 |
14430 |
407.5 |
-3.2 |
0.511 |
6 |
3 |
0 |
0.051 |
11 |
|
F |
42 |
12 |
14456 |
◊ |
E |
x,y,z |
1_555 |
45 |
10 |
14430 |
406.8 |
-3.1 |
0.516 |
6 |
3 |
0 |
0.051 |
12 |
|
A |
46 |
10 |
14445 |
◊ |
B |
-y+1,x,z |
3_655 |
41 |
12 |
14418 |
405.8 |
-3.3 |
0.504 |
5 |
3 |
0 |
0.051 |
13 |
|
D |
43 |
12 |
14445 |
◊ |
F |
-y+1,x,z |
3_655 |
46 |
10 |
14456 |
405.1 |
-3.4 |
0.502 |
5 |
3 |
0 |
0.051 |
14 |
|
A |
42 |
12 |
14445 |
◊ |
C |
-y+1,x,z |
3_655 |
45 |
10 |
14406 |
402.5 |
-3.3 |
0.510 |
5 |
3 |
0 |
0.051 |
15 |
|
C |
40 |
12 |
14406 |
◊ |
B |
x,y,z |
1_555 |
45 |
10 |
14418 |
399.2 |
-3.3 |
0.496 |
6 |
3 |
0 |
0.051 |
Average: |
404.5 |
-3.3 |
0.506 |
6 |
3 |
0 |
0.051 |
4 |
16 |
|
B |
35 |
10 |
14418 |
◊ |
E |
-x+1/2,-y+3/2,z-1/2 |
6_564 |
27 |
7 |
14430 |
263.6 |
1.2 |
0.829 |
3 |
1 |
0 |
0.000 |
5 |
17 |
|
C |
30 |
11 |
14406 |
◊ |
F |
-x+1/2,-y+3/2,z-1/2 |
6_564 |
37 |
9 |
14456 |
252.6 |
-0.4 |
0.737 |
1 |
0 |
0 |
0.000 |
6 |
18 |
|
[ACT]A:405 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
20 |
8 |
14445 |
100.8 |
-1.4 |
0.543 |
1 |
0 |
0 |
0.019 |
19 |
|
[ACT]E:405 |
4 |
1 |
183 |
f |
E |
x,y,z |
1_555 |
18 |
8 |
14430 |
97.1 |
-1.3 |
0.520 |
1 |
0 |
0 |
0.019 |
Average: |
98.9 |
-1.4 |
0.531 |
1 |
0 |
0 |
0.019 |
7 |
20 |
|
[ACT]F:405 |
4 |
1 |
184 |
f |
F |
x,y,z |
1_555 |
20 |
8 |
14456 |
100.5 |
-1.5 |
0.546 |
1 |
0 |
0 |
0.022 |
21 |
|
[ACT]C:405 |
4 |
1 |
182 |
f |
C |
x,y,z |
1_555 |
19 |
8 |
14406 |
99.9 |
-1.5 |
0.537 |
1 |
0 |
0 |
0.022 |
22 |
|
[ACT]D:405 |
4 |
1 |
183 |
f |
D |
x,y,z |
1_555 |
19 |
8 |
14445 |
98.2 |
-1.4 |
0.535 |
1 |
0 |
0 |
0.022 |
Average: |
99.6 |
-1.5 |
0.539 |
1 |
0 |
0 |
0.022 |
8 |
23 |
|
[ACT]B:405 |
4 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
18 |
8 |
14418 |
98.7 |
-1.3 |
0.526 |
1 |
0 |
0 |
0.010 |
9 |
24 |
|
A |
15 |
8 |
14445 |
◊ |
E |
-x+1/2,-y+3/2,z-1/2 |
6_564 |
16 |
7 |
14430 |
96.2 |
0.5 |
0.745 |
0 |
0 |
0 |
0.000 |
10 |
25 |
|
[HG]C:406 |
1 |
1 |
137 |
f |
C |
x,y,z |
1_555 |
14 |
7 |
14406 |
90.1 |
-26.4 |
0.000 |
0 |
0 |
0 |
0.297 |
26 |
|
[HG]B:406 |
1 |
1 |
137 |
f |
B |
x,y,z |
1_555 |
14 |
7 |
14418 |
88.8 |
-26.3 |
0.000 |
0 |
0 |
0 |
0.297 |
27 |
|
[HG]A:406 |
1 |
1 |
137 |
f |
A |
x,y,z |
1_555 |
16 |
7 |
14445 |
88.2 |
-25.1 |
0.000 |
0 |
0 |
0 |
0.297 |
28 |
|
[HG]D:406 |
1 |
1 |
137 |
f |
D |
x,y,z |
1_555 |
18 |
8 |
14445 |
88.0 |
-24.9 |
0.000 |
0 |
0 |
0 |
0.297 |
29 |
|
[HG]E:406 |
1 |
1 |
137 |
f |
E |
x,y,z |
1_555 |
18 |
8 |
14430 |
86.7 |
-24.8 |
0.000 |
0 |
0 |
0 |
0.297 |
30 |
|
[HG]F:406 |
1 |
1 |
137 |
f |
F |
x,y,z |
1_555 |
16 |
7 |
14456 |
86.6 |
-24.8 |
0.000 |
0 |
0 |
0 |
0.297 |
Average: |
88.1 |
-25.4 |
0.000 |
0 |
0 |
0 |
0.297 |
11 |
31 |
|
E |
10 |
5 |
14430 |
◊ |
F |
-x+1/2,-y+3/2,z-1/2 |
6_564 |
11 |
5 |
14456 |
89.8 |
1.5 |
0.866 |
0 |
1 |
0 |
0.000 |
12 |
32 |
|
C |
8 |
2 |
14406 |
◊ |
D |
-x+1/2,-y+3/2,z-1/2 |
6_564 |
9 |
3 |
14445 |
74.6 |
0.4 |
0.755 |
0 |
0 |
0 |
0.000 |
13 |
33 |
|
[FE]E:401 |
1 |
1 |
137 |
f |
E |
x,y,z |
1_555 |
11 |
7 |
14430 |
73.8 |
-14.4 |
0.000 |
0 |
0 |
0 |
0.167 |
34 |
|
[FE]F:401 |
1 |
1 |
137 |
f |
F |
x,y,z |
1_555 |
12 |
7 |
14456 |
73.6 |
-14.1 |
0.000 |
0 |
0 |
0 |
0.167 |
35 |
|
[FE]C:401 |
1 |
1 |
137 |
f |
C |
x,y,z |
1_555 |
11 |
7 |
14406 |
73.5 |
-14.4 |
0.000 |
0 |
0 |
0 |
0.167 |
36 |
|
[FE]B:401 |
1 |
1 |
137 |
f |
B |
x,y,z |
1_555 |
11 |
6 |
14418 |
73.2 |
-14.1 |
0.000 |
0 |
0 |
0 |
0.167 |
37 |
|
[FE]A:401 |
1 |
1 |
137 |
f |
A |
x,y,z |
1_555 |
10 |
6 |
14445 |
73.2 |
-14.3 |
0.000 |
0 |
0 |
0 |
0.167 |
38 |
|
[FE]D:401 |
1 |
1 |
137 |
f |
D |
x,y,z |
1_555 |
12 |
7 |
14445 |
72.8 |
-14.0 |
0.000 |
0 |
0 |
0 |
0.167 |
Average: |
73.3 |
-14.2 |
0.000 |
0 |
0 |
0 |
0.167 |
14 |
39 |
|
A |
8 |
4 |
14445 |
◊ |
F |
-y+1,x,z-1 |
3_654 |
9 |
4 |
14456 |
70.7 |
-0.0 |
0.695 |
0 |
0 |
0 |
0.000 |
15 |
40 |
|
[HG]A:404 |
1 |
1 |
137 |
f |
A |
x,y,z |
1_555 |
15 |
6 |
14445 |
59.2 |
-18.7 |
0.000 |
0 |
0 |
0 |
0.214 |
41 |
|
[HG]E:404 |
1 |
1 |
137 |
f |
E |
x,y,z |
1_555 |
15 |
6 |
14430 |
58.9 |
-18.4 |
0.000 |
0 |
0 |
0 |
0.214 |
42 |
|
[HG]B:404 |
1 |
1 |
137 |
f |
B |
x,y,z |
1_555 |
15 |
6 |
14418 |
58.5 |
-18.4 |
0.000 |
0 |
0 |
0 |
0.214 |
43 |
|
[HG]F:404 |
1 |
1 |
137 |
f |
F |
x,y,z |
1_555 |
14 |
6 |
14456 |
58.2 |
-18.4 |
0.000 |
0 |
0 |
0 |
0.214 |
44 |
|
[HG]D:404 |
1 |
1 |
137 |
f |
D |
x,y,z |
1_555 |
15 |
6 |
14445 |
58.1 |
-18.3 |
0.000 |
0 |
0 |
0 |
0.214 |
45 |
|
[HG]C:404 |
1 |
1 |
137 |
f |
C |
x,y,z |
1_555 |
14 |
6 |
14406 |
57.5 |
-18.4 |
0.000 |
0 |
0 |
0 |
0.214 |
Average: |
58.4 |
-18.4 |
0.000 |
0 |
0 |
0 |
0.214 |
16 |
46 |
|
[ACT]E:405 |
3 |
1 |
183 |
◊ |
D |
x,y,z |
1_555 |
5 |
3 |
14445 |
36.0 |
-1.1 |
0.335 |
0 |
0 |
0 |
0.010 |
47 |
|
[ACT]A:405 |
3 |
1 |
184 |
◊ |
A |
-y+1,x,z |
3_655 |
4 |
3 |
14445 |
30.1 |
-1.0 |
0.358 |
0 |
0 |
0 |
0.010 |
Average: |
33.0 |
-1.0 |
0.346 |
0 |
0 |
0 |
0.010 |
17 |
48 |
|
[ACT]B:405 |
3 |
1 |
183 |
f |
[HG]B:404 |
x,y,z |
1_555 |
1 |
1 |
137 |
35.2 |
-6.7 |
0.000 |
0 |
0 |
0 |
0.079 |
49 |
|
[ACT]D:405 |
3 |
1 |
183 |
f |
[HG]D:404 |
x,y,z |
1_555 |
1 |
1 |
137 |
35.0 |
-6.9 |
0.000 |
0 |
0 |
0 |
0.079 |
50 |
|
[ACT]E:405 |
3 |
1 |
183 |
f |
[HG]E:404 |
x,y,z |
1_555 |
1 |
1 |
137 |
34.8 |
-6.7 |
0.000 |
0 |
0 |
0 |
0.079 |
51 |
|
[ACT]F:405 |
3 |
1 |
184 |
f |
[HG]F:404 |
x,y,z |
1_555 |
1 |
1 |
137 |
34.6 |
-6.6 |
0.000 |
0 |
0 |
0 |
0.079 |
52 |
|
[ACT]A:405 |
3 |
1 |
184 |
f |
[HG]A:404 |
x,y,z |
1_555 |
1 |
1 |
137 |
34.5 |
-6.5 |
0.000 |
0 |
0 |
0 |
0.079 |
53 |
|
[ACT]C:405 |
3 |
1 |
182 |
f |
[HG]C:404 |
x,y,z |
1_555 |
1 |
1 |
137 |
34.3 |
-6.5 |
0.000 |
0 |
0 |
0 |
0.079 |
Average: |
34.7 |
-6.6 |
0.000 |
0 |
0 |
0 |
0.079 |
18 |
54 |
|
[ACT]D:405 |
3 |
1 |
183 |
◊ |
C |
-y+1,x,z |
3_655 |
5 |
3 |
14406 |
33.0 |
-0.8 |
0.391 |
0 |
0 |
0 |
0.008 |
55 |
|
F |
4 |
3 |
14456 |
◊ |
[ACT]F:405 |
-y+1,x,z |
3_655 |
3 |
1 |
184 |
29.3 |
-0.8 |
0.359 |
0 |
0 |
0 |
0.008 |
56 |
|
B |
3 |
2 |
14418 |
◊ |
[ACT]C:405 |
-y+1,x,z |
3_655 |
3 |
1 |
182 |
26.2 |
-0.7 |
0.343 |
0 |
0 |
0 |
0.008 |
Average: |
29.5 |
-0.8 |
0.364 |
0 |
0 |
0 |
0.008 |
19 |
57 |
|
[ACT]B:405 |
3 |
1 |
183 |
◊ |
E |
x,y,z |
1_555 |
4 |
3 |
14430 |
30.7 |
-1.0 |
0.352 |
0 |
0 |
0 |
0.003 |
20 |
58 |
|
D |
7 |
3 |
14445 |
◊ |
A |
-y+1/2,x+1/2,z+1/2 |
7_555 |
4 |
3 |
14445 |
22.0 |
0.5 |
0.799 |
0 |
0 |
0 |
0.000 |
21 |
59 |
|
B |
3 |
2 |
14418 |
◊ |
[HG]C:404 |
-y+1,x,z |
3_655 |
1 |
1 |
137 |
14.9 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.029 |
60 |
|
F |
3 |
2 |
14456 |
◊ |
[HG]F:404 |
-y+1,x,z |
3_655 |
1 |
1 |
137 |
14.6 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.029 |
61 |
|
[HG]B:404 |
1 |
1 |
137 |
◊ |
E |
x,y,z |
1_555 |
3 |
2 |
14430 |
14.4 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.029 |
62 |
|
[HG]E:404 |
1 |
1 |
137 |
◊ |
D |
x,y,z |
1_555 |
3 |
2 |
14445 |
14.4 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.029 |
63 |
|
[HG]D:404 |
1 |
1 |
137 |
◊ |
C |
-y+1,x,z |
3_655 |
3 |
2 |
14406 |
13.7 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.029 |
64 |
|
[HG]A:404 |
1 |
1 |
137 |
◊ |
A |
-y+1,x,z |
3_655 |
3 |
2 |
14445 |
13.3 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.029 |
Average: |
14.2 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.029 |
22 |
65 |
|
B |
4 |
2 |
14418 |
◊ |
D |
-y+1/2,x+1/2,z-1/2 |
7_554 |
1 |
1 |
14445 |
13.7 |
0.0 |
0.688 |
0 |
0 |
0 |
0.000 |
23 |
66 |
|
E |
2 |
1 |
14430 |
◊ |
C |
-y+1,x,z |
3_655 |
2 |
1 |
14406 |
13.1 |
-0.4 |
0.321 |
0 |
0 |
0 |
0.002 |
67 |
|
D |
2 |
1 |
14445 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
14418 |
12.7 |
-0.4 |
0.325 |
0 |
0 |
0 |
0.002 |
68 |
|
F |
2 |
1 |
14456 |
◊ |
F |
-x+1,-y+1,z |
2_665 |
2 |
1 |
14456 |
12.7 |
-0.4 |
0.333 |
0 |
0 |
0 |
0.002 |
69 |
|
A |
2 |
1 |
14445 |
◊ |
A |
-x+1,-y+1,z |
2_665 |
2 |
1 |
14445 |
11.3 |
-0.4 |
0.364 |
0 |
0 |
0 |
0.002 |
Average: |
12.5 |
-0.4 |
0.336 |
0 |
0 |
0 |
0.002 |
24 |
70 |
|
[HG]A:406 |
1 |
1 |
137 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
14418 |
9.7 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.019 |
71 |
|
[HG]D:406 |
1 |
1 |
137 |
◊ |
F |
x,y,z |
1_555 |
1 |
1 |
14456 |
9.5 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.019 |
72 |
|
[HG]B:406 |
1 |
1 |
137 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
14445 |
8.2 |
-1.5 |
0.000 |
0 |
0 |
0 |
0.019 |
73 |
|
[HG]C:406 |
1 |
1 |
137 |
◊ |
E |
x,y,z |
1_555 |
1 |
1 |
14430 |
8.2 |
-1.5 |
0.000 |
0 |
0 |
0 |
0.019 |
74 |
|
[HG]E:406 |
1 |
1 |
137 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
14406 |
7.3 |
-1.3 |
0.000 |
0 |
0 |
0 |
0.019 |
75 |
|
[HG]F:406 |
1 |
1 |
137 |
◊ |
D |
x,y,z |
1_555 |
1 |
1 |
14445 |
7.2 |
-1.3 |
0.000 |
0 |
0 |
0 |
0.019 |
Average: |
8.3 |
-1.5 |
0.000 |
0 |
0 |
0 |
0.019 |
25 |
76 |
|
E |
1 |
1 |
14430 |
◊ |
A |
-y+1/2,x+1/2,z+1/2 |
7_555 |
1 |
1 |
14445 |
5.9 |
0.3 |
0.852 |
0 |
0 |
0 |
0.000 |
26 |
77 |
|
A |
1 |
1 |
14445 |
◊ |
C |
-x+1/2,-y+3/2,z-1/2 |
6_564 |
2 |
1 |
14406 |
3.2 |
0.0 |
0.588 |
0 |
0 |
0 |
0.000 |
|