| ## |
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 |
184 |
41 |
10534 |
◊ |
A |
x,y,z |
1_555 |
176 |
47 |
18665 |
1630.6 |
-11.4 |
0.170 |
24 |
19 |
0 |
0.445 |
2 |
|
F |
181 |
40 |
10604 |
◊ |
E |
x,y,z |
1_555 |
171 |
46 |
18337 |
1607.9 |
-11.5 |
0.184 |
26 |
15 |
0 |
0.445 |
3 |
|
D |
178 |
39 |
10602 |
◊ |
C |
x,y,z |
1_555 |
164 |
44 |
18112 |
1548.7 |
-10.1 |
0.270 |
26 |
17 |
0 |
0.445 |
| Average: |
1595.7 |
-11.0 |
0.208 |
25 |
17 |
0 |
0.445 |
| 2 |
4 |
|
C |
165 |
39 |
18112 |
◊ |
A |
x,y,z |
1_555 |
157 |
43 |
18665 |
1530.1 |
-6.5 |
0.334 |
29 |
13 |
0 |
0.388 |
5 |
|
E |
162 |
40 |
18337 |
◊ |
C |
x,y,z |
1_555 |
149 |
40 |
18112 |
1456.2 |
-6.8 |
0.355 |
27 |
10 |
0 |
0.388 |
6 |
|
E |
148 |
40 |
18337 |
◊ |
A |
x,y,z |
1_555 |
158 |
39 |
18665 |
1450.7 |
-7.3 |
0.302 |
28 |
10 |
0 |
0.388 |
| Average: |
1479.0 |
-6.9 |
0.330 |
28 |
11 |
0 |
0.388 |
| 3 |
7 |
|
F |
117 |
34 |
10604 |
◊ |
D |
x,y,z |
1_555 |
112 |
30 |
10602 |
1059.4 |
-4.2 |
0.412 |
12 |
8 |
0 |
1.000 |
8 |
|
F |
113 |
28 |
10604 |
◊ |
B |
x,y,z |
1_555 |
109 |
32 |
10534 |
1051.8 |
-4.9 |
0.365 |
12 |
9 |
0 |
1.000 |
9 |
|
D |
108 |
33 |
10602 |
◊ |
B |
x,y,z |
1_555 |
111 |
27 |
10534 |
1038.6 |
-5.1 |
0.368 |
13 |
9 |
0 |
1.000 |
| Average: |
1050.0 |
-4.7 |
0.382 |
12 |
9 |
0 |
1.000 |
| 4 |
10 |
|
A |
72 |
18 |
18665 |
◊ |
E |
x-1/2,-y+1/2,-z |
4_455 |
66 |
22 |
18337 |
630.4 |
-3.3 |
0.367 |
11 |
2 |
0 |
0.000 |
| 5 |
11 |
|
D |
41 |
10 |
10602 |
◊ |
A |
-x+1,y-1/2,-z+1/2 |
3_645 |
40 |
12 |
18665 |
368.8 |
-0.8 |
0.554 |
5 |
2 |
0 |
0.000 |
12 |
|
C |
35 |
12 |
18112 |
◊ |
B |
-x+1,y-1/2,-z+1/2 |
3_645 |
40 |
10 |
10534 |
328.5 |
-2.7 |
0.329 |
5 |
1 |
0 |
0.000 |
| Average: |
348.7 |
-1.8 |
0.442 |
5 |
2 |
0 |
0.000 |
| 6 |
13 |
|
F |
27 |
6 |
10604 |
◊ |
A |
x,y,z |
1_555 |
35 |
11 |
18665 |
276.5 |
-0.4 |
0.424 |
2 |
0 |
0 |
0.013 |
14 |
|
D |
30 |
6 |
10602 |
◊ |
E |
x,y,z |
1_555 |
39 |
12 |
18337 |
276.3 |
-0.4 |
0.461 |
2 |
0 |
0 |
0.013 |
15 |
|
B |
28 |
6 |
10534 |
◊ |
C |
x,y,z |
1_555 |
38 |
11 |
18112 |
269.9 |
-0.2 |
0.466 |
2 |
0 |
0 |
0.013 |
| Average: |
274.2 |
-0.3 |
0.450 |
2 |
0 |
0 |
0.013 |
| 7 |
16 |
|
C |
26 |
5 |
18112 |
◊ |
A |
x-1/2,-y+1/2,-z |
4_455 |
27 |
9 |
18665 |
245.8 |
0.8 |
0.693 |
5 |
3 |
0 |
0.000 |
| 8 |
17 |
|
A |
25 |
7 |
18665 |
◊ |
E |
x-1,y,z |
1_455 |
19 |
4 |
18337 |
150.6 |
0.0 |
0.598 |
2 |
0 |
0 |
0.000 |
| 9 |
18 |
|
A |
13 |
5 |
18665 |
x |
A |
x-1/2,-y+1/2,-z |
4_455 |
15 |
7 |
18665 |
131.6 |
-1.1 |
0.324 |
0 |
0 |
0 |
0.000 |
| 10 |
19 |
|
B |
19 |
6 |
10534 |
◊ |
E |
x-1,y,z |
1_455 |
17 |
6 |
18337 |
123.9 |
1.0 |
0.740 |
2 |
0 |
0 |
0.000 |
| 11 |
20 |
|
[FES]A:500 |
4 |
1 |
232 |
f |
A |
x,y,z |
1_555 |
15 |
8 |
18665 |
118.0 |
-15.5 |
0.609 |
2 |
0 |
0 |
0.307 |
21 |
|
[FES]C:500 |
4 |
1 |
237 |
f |
C |
x,y,z |
1_555 |
16 |
9 |
18112 |
117.7 |
-15.6 |
0.628 |
3 |
0 |
0 |
0.307 |
22 |
|
[FES]E:500 |
4 |
1 |
235 |
f |
E |
x,y,z |
1_555 |
16 |
8 |
18337 |
117.6 |
-15.5 |
0.607 |
2 |
0 |
0 |
0.307 |
| Average: |
117.7 |
-15.5 |
0.615 |
2 |
0 |
0 |
0.307 |
| 12 |
23 |
|
D |
15 |
4 |
10602 |
◊ |
B |
-x+1,y-1/2,-z+1/2 |
3_645 |
11 |
4 |
10534 |
87.3 |
0.1 |
0.621 |
0 |
0 |
0 |
0.000 |
| 13 |
24 |
|
[FE]C:501 |
1 |
1 |
137 |
f |
C |
x,y,z |
1_555 |
11 |
7 |
18112 |
74.6 |
-15.1 |
0.000 |
0 |
0 |
0 |
0.281 |
25 |
|
[FE]A:501 |
1 |
1 |
137 |
f |
A |
x,y,z |
1_555 |
10 |
7 |
18665 |
73.7 |
-15.2 |
0.000 |
0 |
0 |
0 |
0.281 |
26 |
|
[FE]E:501 |
1 |
1 |
137 |
cf |
E |
x,y,z |
1_555 |
10 |
6 |
18337 |
72.5 |
-15.1 |
0.000 |
0 |
0 |
0 |
0.281 |
| Average: |
73.6 |
-15.2 |
0.000 |
0 |
0 |
0 |
0.281 |
| 14 |
27 |
|
D |
5 |
2 |
10602 |
◊ |
E |
x-1,y,z |
1_455 |
11 |
6 |
18337 |
54.8 |
-0.1 |
0.580 |
0 |
0 |
0 |
0.000 |
| 15 |
28 |
|
C |
5 |
1 |
18112 |
x |
C |
x-1/2,-y-1/2,-z |
4_445 |
6 |
3 |
18112 |
32.6 |
0.4 |
0.688 |
0 |
0 |
0 |
0.000 |
| 16 |
29 |
|
E |
2 |
1 |
18337 |
◊ |
F |
-x+2,y-1/2,-z+1/2 |
3_745 |
5 |
1 |
10604 |
29.8 |
1.1 |
0.869 |
0 |
0 |
0 |
0.000 |
| 17 |
30 |
|
C |
2 |
1 |
18112 |
◊ |
E |
x-1,y,z |
1_455 |
5 |
1 |
18337 |
24.2 |
0.7 |
0.791 |
1 |
1 |
0 |
0.000 |
| 18 |
31 |
|
E |
4 |
2 |
18337 |
◊ |
A |
-x+2,y-1/2,-z+1/2 |
3_745 |
1 |
1 |
18665 |
20.2 |
0.7 |
0.732 |
0 |
0 |
0 |
0.000 |
| 19 |
32 |
|
[FES]E:500 |
3 |
1 |
235 |
◊ |
C |
x,y,z |
1_555 |
3 |
2 |
18112 |
16.4 |
-1.4 |
0.000 |
0 |
0 |
0 |
0.023 |
33 |
|
[FES]C:500 |
3 |
1 |
237 |
◊ |
A |
x,y,z |
1_555 |
3 |
2 |
18665 |
14.1 |
-1.3 |
0.000 |
0 |
0 |
0 |
0.023 |
34 |
|
[FES]A:500 |
2 |
1 |
232 |
◊ |
E |
x,y,z |
1_555 |
2 |
1 |
18337 |
12.0 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.023 |
| Average: |
14.2 |
-1.3 |
0.000 |
0 |
0 |
0 |
0.023 |
| 20 |
35 |
|
F |
5 |
1 |
10604 |
x |
F |
-x+2,y-1/2,-z+1/2 |
3_745 |
2 |
2 |
10604 |
13.4 |
0.3 |
0.714 |
0 |
0 |
0 |
0.000 |
| 21 |
36 |
|
F |
1 |
1 |
10604 |
◊ |
A |
-x+2,y-1/2,-z+1/2 |
3_745 |
2 |
1 |
18665 |
7.7 |
0.4 |
0.842 |
0 |
0 |
0 |
0.000 |
| 22 |
37 |
|
E |
1 |
1 |
18337 |
◊ |
B |
-x+2,y-1/2,-z+1/2 |
3_745 |
2 |
1 |
10534 |
5.3 |
-0.0 |
0.447 |
0 |
0 |
0 |
0.000 |
|