| ## |
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 |
293 |
72 |
20203 |
◊ |
A |
x,y,z |
1_555 |
273 |
71 |
20002 |
2842.0 |
-35.4 |
0.018 |
27 |
15 |
0 |
0.375 |
| 2 |
2 |
|
A |
125 |
41 |
20002 |
◊ |
A |
-x,y,-z |
4_555 |
123 |
41 |
20002 |
1115.5 |
-5.3 |
0.510 |
4 |
0 |
0 |
0.026 |
| 3 |
3 |
|
A |
80 |
25 |
20002 |
◊ |
B |
x-1/2,-y+1/2,-z+1/2 |
7_455 |
87 |
27 |
20203 |
754.7 |
0.6 |
0.735 |
11 |
10 |
0 |
0.000 |
| 4 |
4 |
|
B |
51 |
12 |
20203 |
◊ |
B |
-x,-y,z |
2_555 |
51 |
12 |
20203 |
432.9 |
1.8 |
0.803 |
6 |
6 |
0 |
0.000 |
| 5 |
5 |
|
A |
34 |
12 |
20002 |
◊ |
B |
x-1,y,z |
1_455 |
35 |
8 |
20203 |
277.1 |
3.0 |
0.861 |
6 |
5 |
0 |
0.000 |
| 6 |
6 |
|
A |
19 |
6 |
20002 |
x |
A |
x-1/2,-y+1/2,-z+1/2 |
7_455 |
21 |
4 |
20002 |
164.0 |
0.6 |
0.687 |
2 |
0 |
0 |
0.000 |
| 7 |
7 |
|
[SIN]B:405 |
8 |
1 |
252 |
f |
B |
x,y,z |
1_555 |
24 |
13 |
20203 |
125.0 |
0.2 |
0.214 |
1 |
0 |
0 |
0.002 |
| 8 |
8 |
|
[SIN]B:406 |
8 |
1 |
248 |
◊ |
B |
x,y,z |
1_555 |
20 |
6 |
20203 |
124.0 |
2.4 |
0.390 |
2 |
0 |
0 |
0.000 |
| 9 |
9 |
|
[SIN]A:406 |
8 |
1 |
257 |
f |
A |
x,y,z |
1_555 |
24 |
11 |
20002 |
121.6 |
2.6 |
0.495 |
4 |
0 |
0 |
0.000 |
| 10 |
10 |
|
[SIN]A:405 |
8 |
1 |
251 |
f |
A |
x,y,z |
1_555 |
19 |
10 |
20002 |
112.6 |
1.2 |
0.318 |
1 |
0 |
0 |
0.000 |
| 11 |
11 |
|
[SIN]B:404 |
8 |
1 |
244 |
f |
B |
x,y,z |
1_555 |
16 |
8 |
20203 |
112.3 |
0.9 |
0.225 |
3 |
0 |
0 |
0.004 |
| 12 |
12 |
|
B |
14 |
5 |
20203 |
◊ |
B |
-x+1,y,-z |
4_655 |
14 |
5 |
20203 |
111.4 |
0.1 |
0.640 |
0 |
0 |
0 |
0.000 |
| 13 |
13 |
|
[SIN]A:404 |
8 |
1 |
246 |
f |
A |
x,y,z |
1_555 |
17 |
10 |
20002 |
106.9 |
0.6 |
0.210 |
3 |
0 |
0 |
0.006 |
| 14 |
14 |
|
B |
9 |
1 |
20203 |
x |
B |
x-1/2,-y+1/2,-z+1/2 |
7_455 |
12 |
5 |
20203 |
103.3 |
-1.7 |
0.265 |
1 |
0 |
0 |
0.000 |
| 15 |
15 |
|
A |
14 |
4 |
20002 |
◊ |
A |
-x,-y,z |
2_555 |
14 |
4 |
20002 |
80.2 |
0.7 |
0.726 |
0 |
0 |
0 |
0.000 |
| 16 |
16 |
|
[EDO]A:408 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
11 |
5 |
20002 |
73.3 |
2.5 |
0.482 |
3 |
0 |
0 |
0.000 |
| 17 |
17 |
|
[IMD]A:407 |
5 |
1 |
198 |
f |
A |
x,y,z |
1_555 |
13 |
7 |
20002 |
71.0 |
2.7 |
0.449 |
0 |
0 |
0 |
0.000 |
| 18 |
18 |
|
[EDO]A:408 |
4 |
1 |
184 |
◊ |
B |
x-1/2,-y+1/2,-z+1/2 |
7_455 |
10 |
5 |
20203 |
65.7 |
2.5 |
0.314 |
1 |
0 |
0 |
0.000 |
| 19 |
19 |
|
A |
9 |
4 |
20002 |
f |
[SIN]B:406 |
x-1,y,z |
1_455 |
7 |
1 |
248 |
56.8 |
0.7 |
0.193 |
0 |
0 |
0 |
0.000 |
| 20 |
20 |
|
[FE]B:403 |
1 |
1 |
137 |
f |
B |
x,y,z |
1_555 |
10 |
6 |
20203 |
48.3 |
-9.4 |
0.000 |
0 |
0 |
0 |
0.121 |
21 |
|
[FE]A:403 |
1 |
1 |
137 |
f |
A |
x,y,z |
1_555 |
14 |
6 |
20002 |
40.4 |
-6.7 |
0.000 |
0 |
0 |
0 |
0.121 |
| Average: |
44.3 |
-8.0 |
0.000 |
0 |
0 |
0 |
0.121 |
| 21 |
22 |
|
[FE]A:401 |
1 |
1 |
137 |
f |
A |
x,y,z |
1_555 |
13 |
8 |
20002 |
48.0 |
-10.2 |
0.000 |
0 |
0 |
0 |
0.202 |
23 |
|
[FE]B:401 |
1 |
1 |
137 |
f |
B |
x,y,z |
1_555 |
11 |
7 |
20203 |
47.4 |
-9.0 |
0.000 |
0 |
0 |
0 |
0.202 |
24 |
|
[FE]B:402 |
1 |
1 |
137 |
f |
B |
x,y,z |
1_555 |
16 |
8 |
20203 |
47.4 |
-7.5 |
0.000 |
0 |
0 |
0 |
0.202 |
| Average: |
47.6 |
-8.9 |
0.000 |
0 |
0 |
0 |
0.202 |
| 22 |
25 |
|
[FE]A:402 |
1 |
1 |
137 |
f |
A |
x,y,z |
1_555 |
16 |
8 |
20002 |
43.7 |
-7.7 |
0.000 |
0 |
0 |
0 |
0.058 |
| 23 |
26 |
|
[SIN]A:405 |
5 |
1 |
251 |
◊ |
A |
-x,y,-z |
4_555 |
7 |
3 |
20002 |
40.9 |
0.4 |
0.256 |
1 |
0 |
0 |
0.000 |
| 24 |
27 |
|
[IMD]A:407 |
3 |
1 |
198 |
f |
[SIN]A:406 |
x,y,z |
1_555 |
6 |
1 |
257 |
34.3 |
1.0 |
0.064 |
0 |
0 |
0 |
0.000 |
| 25 |
28 |
|
[SIN]B:405 |
3 |
1 |
252 |
f |
[FE]B:402 |
x,y,z |
1_555 |
1 |
1 |
137 |
29.8 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.034 |
29 |
|
[SIN]A:405 |
3 |
1 |
251 |
f |
[FE]A:402 |
x,y,z |
1_555 |
1 |
1 |
137 |
23.7 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.034 |
| Average: |
26.7 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.034 |
| 26 |
30 |
|
[SIN]A:404 |
4 |
1 |
246 |
◊ |
A |
-x,y,-z |
4_555 |
3 |
1 |
20002 |
29.5 |
0.8 |
0.345 |
1 |
0 |
0 |
0.000 |
| 27 |
31 |
|
[SIN]B:405 |
4 |
1 |
252 |
f |
[SIN]B:404 |
x,y,z |
1_555 |
5 |
1 |
244 |
28.2 |
0.2 |
0.069 |
0 |
0 |
0 |
0.000 |
| 28 |
32 |
|
[SIN]B:404 |
3 |
1 |
244 |
f |
[FE]B:402 |
x,y,z |
1_555 |
1 |
1 |
137 |
27.7 |
-1.9 |
0.000 |
0 |
0 |
0 |
0.052 |
33 |
|
[SIN]B:405 |
3 |
1 |
252 |
f |
[FE]B:403 |
x,y,z |
1_555 |
1 |
1 |
137 |
26.1 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.052 |
34 |
|
[SIN]A:405 |
3 |
1 |
251 |
f |
[FE]A:403 |
x,y,z |
1_555 |
1 |
1 |
137 |
24.9 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.052 |
35 |
|
[SIN]A:404 |
3 |
1 |
246 |
f |
[FE]A:402 |
x,y,z |
1_555 |
1 |
1 |
137 |
24.0 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.052 |
| Average: |
25.7 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.052 |
| 29 |
36 |
|
[SIN]A:404 |
6 |
1 |
246 |
f |
[FE]A:401 |
x,y,z |
1_555 |
1 |
1 |
137 |
27.4 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.043 |
37 |
|
[SIN]B:404 |
5 |
1 |
244 |
f |
[FE]B:401 |
x,y,z |
1_555 |
1 |
1 |
137 |
26.6 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.043 |
| Average: |
27.0 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.043 |
| 30 |
38 |
|
[IMD]A:407 |
3 |
1 |
198 |
f |
[FE]A:403 |
x,y,z |
1_555 |
1 |
1 |
137 |
24.8 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.016 |
| 31 |
39 |
|
[FE]B:403 |
1 |
1 |
137 |
f |
[FE]B:402 |
x,y,z |
1_555 |
1 |
1 |
137 |
20.1 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.030 |
| 32 |
40 |
|
[SIN]A:405 |
2 |
1 |
251 |
f |
[SIN]A:404 |
x,y,z |
1_555 |
3 |
1 |
246 |
17.0 |
-0.1 |
0.109 |
0 |
0 |
0 |
0.000 |
| 33 |
41 |
|
[FE]B:402 |
1 |
1 |
137 |
f |
[FE]B:401 |
x,y,z |
1_555 |
1 |
1 |
137 |
16.8 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.025 |
| 34 |
42 |
|
[FE]A:402 |
1 |
1 |
137 |
f |
[FE]A:401 |
x,y,z |
1_555 |
1 |
1 |
137 |
16.4 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.025 |
| 35 |
43 |
|
[FE]A:403 |
1 |
1 |
137 |
f |
[FE]A:402 |
x,y,z |
1_555 |
1 |
1 |
137 |
16.2 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.024 |
| 36 |
44 |
|
[IMD]A:407 |
2 |
1 |
198 |
f |
[FE]A:402 |
x,y,z |
1_555 |
1 |
1 |
137 |
12.4 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.006 |
| 37 |
45 |
|
[SIN]B:405 |
1 |
1 |
252 |
f |
[FE]B:401 |
x,y,z |
1_555 |
1 |
1 |
137 |
11.4 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.009 |
| 38 |
46 |
|
[IMD]A:407 |
2 |
1 |
198 |
f |
[SIN]A:405 |
x,y,z |
1_555 |
3 |
1 |
251 |
9.6 |
0.1 |
0.077 |
0 |
0 |
0 |
0.000 |
| 39 |
47 |
|
[SIN]A:406 |
2 |
1 |
257 |
f |
[FE]A:402 |
x,y,z |
1_555 |
1 |
1 |
137 |
9.4 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.004 |
| 40 |
48 |
|
[SIN]B:404 |
1 |
1 |
244 |
f |
[FE]B:403 |
x,y,z |
1_555 |
1 |
1 |
137 |
7.2 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.006 |
49 |
|
[SIN]A:404 |
1 |
1 |
246 |
f |
[FE]A:403 |
x,y,z |
1_555 |
1 |
1 |
137 |
3.9 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.006 |
| Average: |
5.5 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.006 |
| 41 |
50 |
|
[SIN]A:405 |
1 |
1 |
251 |
f |
[FE]A:401 |
x,y,z |
1_555 |
1 |
1 |
137 |
7.1 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.006 |
| 42 |
51 |
|
[SIN]A:406 |
2 |
1 |
257 |
f |
[FE]A:403 |
x,y,z |
1_555 |
1 |
1 |
137 |
4.8 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.002 |
| 43 |
52 |
|
[SIN]A:406 |
1 |
1 |
257 |
f |
[SIN]A:404 |
x,y,z |
1_555 |
1 |
1 |
246 |
3.6 |
0.1 |
0.125 |
0 |
0 |
0 |
0.000 |
| 44 |
53 |
|
[FE]B:403 |
1 |
1 |
137 |
f |
[FE]B:401 |
x,y,z |
1_555 |
1 |
1 |
137 |
2.8 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.004 |
| 45 |
54 |
|
[FE]A:403 |
1 |
1 |
137 |
f |
[FE]A:401 |
x,y,z |
1_555 |
1 |
1 |
137 |
0.6 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.000 |
| 46 |
55 |
|
[IMD]A:407 |
1 |
1 |
198 |
f |
[FE]A:401 |
x,y,z |
1_555 |
1 |
1 |
137 |
0.2 |
-0.0 |
0.000 |
0 |
0 |
0 |
0.000 |
|