| ## |
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 |
227 |
63 |
19734 |
◊ |
D |
x,y,z |
1_555 |
201 |
50 |
19721 |
2093.5 |
-23.2 |
0.060 |
21 |
13 |
0 |
0.524 |
2 |
|
C |
201 |
51 |
19739 |
◊ |
A |
x,y,z |
1_555 |
231 |
64 |
19729 |
2085.8 |
-24.0 |
0.053 |
21 |
14 |
0 |
0.524 |
3 |
|
B |
223 |
63 |
19763 |
◊ |
A |
x,y,z |
1_555 |
195 |
49 |
19729 |
2080.7 |
-23.7 |
0.050 |
21 |
14 |
0 |
0.524 |
4 |
|
C |
228 |
62 |
19739 |
◊ |
B |
x,y,z |
1_555 |
198 |
49 |
19763 |
2080.2 |
-23.2 |
0.059 |
20 |
14 |
0 |
0.524 |
5 |
|
F |
199 |
50 |
19748 |
◊ |
D |
x,y,z |
1_555 |
228 |
63 |
19721 |
2078.0 |
-23.8 |
0.053 |
19 |
14 |
0 |
0.524 |
6 |
|
F |
229 |
62 |
19748 |
◊ |
E |
x,y,z |
1_555 |
198 |
50 |
19734 |
2074.8 |
-23.3 |
0.057 |
21 |
14 |
0 |
0.524 |
| Average: |
2082.2 |
-23.5 |
0.055 |
21 |
14 |
0 |
0.524 |
| 2 |
7 |
|
B |
55 |
14 |
19763 |
◊ |
E |
-x+1,y-1/2,-z+1/2 |
3_645 |
55 |
14 |
19734 |
567.9 |
-1.9 |
0.583 |
6 |
2 |
0 |
0.047 |
8 |
|
C |
55 |
13 |
19739 |
◊ |
D |
-x+1,y-1/2,-z+1/2 |
3_645 |
57 |
13 |
19721 |
567.1 |
-3.1 |
0.486 |
10 |
2 |
0 |
0.047 |
9 |
|
A |
55 |
13 |
19729 |
◊ |
F |
-x+1,y-1/2,-z+1/2 |
3_645 |
54 |
13 |
19748 |
562.9 |
-2.8 |
0.505 |
9 |
2 |
0 |
0.047 |
| Average: |
566.0 |
-2.6 |
0.524 |
8 |
2 |
0 |
0.047 |
| 3 |
10 |
|
D |
32 |
10 |
19721 |
◊ |
B |
x,y,z |
1_555 |
32 |
11 |
19763 |
282.9 |
-0.3 |
0.536 |
1 |
2 |
0 |
0.000 |
11 |
|
A |
29 |
11 |
19729 |
◊ |
E |
x-1,y-1,z |
1_445 |
32 |
11 |
19734 |
256.9 |
-0.2 |
0.552 |
2 |
4 |
0 |
0.000 |
| Average: |
269.9 |
-0.2 |
0.544 |
2 |
3 |
0 |
0.000 |
| 4 |
12 |
|
C |
30 |
10 |
19739 |
◊ |
E |
x,y-1,z |
1_545 |
20 |
7 |
19734 |
190.0 |
0.5 |
0.661 |
0 |
3 |
0 |
0.000 |
13 |
|
B |
17 |
7 |
19763 |
◊ |
F |
x-1,y,z |
1_455 |
31 |
12 |
19748 |
186.0 |
0.5 |
0.666 |
0 |
3 |
0 |
0.000 |
| Average: |
188.0 |
0.5 |
0.664 |
0 |
3 |
0 |
0.000 |
| 5 |
14 |
|
B |
16 |
5 |
19763 |
◊ |
C |
x-1/2,-y+1/2,-z |
4_455 |
18 |
6 |
19739 |
139.7 |
-1.2 |
0.444 |
0 |
0 |
0 |
0.000 |
15 |
|
E |
20 |
7 |
19734 |
◊ |
F |
x-1/2,-y+3/2,-z |
4_465 |
18 |
6 |
19748 |
138.2 |
-1.1 |
0.450 |
0 |
0 |
0 |
0.000 |
| Average: |
138.9 |
-1.2 |
0.447 |
0 |
0 |
0 |
0.000 |
| 6 |
16 |
|
[FES]F:500 |
4 |
1 |
234 |
f |
F |
x,y,z |
1_555 |
18 |
8 |
19748 |
121.8 |
-15.9 |
0.642 |
2 |
0 |
0 |
0.252 |
17 |
|
[FES]E:500 |
4 |
1 |
237 |
f |
E |
x,y,z |
1_555 |
17 |
8 |
19734 |
121.4 |
-15.8 |
0.643 |
2 |
0 |
0 |
0.252 |
18 |
|
[FES]B:500 |
4 |
1 |
235 |
f |
B |
x,y,z |
1_555 |
17 |
8 |
19763 |
121.3 |
-15.8 |
0.644 |
2 |
0 |
0 |
0.252 |
19 |
|
[FES]A:500 |
4 |
1 |
234 |
f |
A |
x,y,z |
1_555 |
16 |
8 |
19729 |
120.5 |
-15.8 |
0.640 |
2 |
0 |
0 |
0.252 |
20 |
|
[FES]C:500 |
4 |
1 |
235 |
f |
C |
x,y,z |
1_555 |
16 |
8 |
19739 |
120.3 |
-15.7 |
0.638 |
2 |
0 |
0 |
0.252 |
21 |
|
[FES]D:500 |
4 |
1 |
234 |
f |
D |
x,y,z |
1_555 |
15 |
8 |
19721 |
120.0 |
-15.8 |
0.642 |
2 |
0 |
0 |
0.252 |
| Average: |
120.9 |
-15.8 |
0.641 |
2 |
0 |
0 |
0.252 |
| 7 |
22 |
|
A |
13 |
5 |
19729 |
◊ |
B |
x-1/2,-y+1/2,-z |
4_455 |
17 |
5 |
19763 |
121.1 |
-2.1 |
0.211 |
0 |
0 |
0 |
0.000 |
23 |
|
D |
12 |
3 |
19721 |
◊ |
E |
x-1/2,-y+3/2,-z |
4_465 |
17 |
4 |
19734 |
118.5 |
-2.3 |
0.184 |
1 |
0 |
0 |
0.000 |
| Average: |
119.8 |
-2.2 |
0.197 |
1 |
0 |
0 |
0.000 |
| 8 |
24 |
|
A |
16 |
4 |
19729 |
◊ |
C |
x-1/2,-y+1/2,-z |
4_455 |
14 |
4 |
19739 |
112.6 |
-0.4 |
0.584 |
0 |
0 |
0 |
0.000 |
25 |
|
D |
15 |
4 |
19721 |
◊ |
F |
x-1/2,-y+3/2,-z |
4_465 |
13 |
3 |
19748 |
106.8 |
-0.2 |
0.609 |
0 |
0 |
0 |
0.000 |
| Average: |
109.7 |
-0.3 |
0.596 |
0 |
0 |
0 |
0.000 |
| 9 |
26 |
|
A |
18 |
8 |
19729 |
◊ |
D |
-x,y-1/2,-z+1/2 |
3_545 |
21 |
12 |
19721 |
106.1 |
-2.3 |
0.302 |
0 |
0 |
0 |
0.000 |
| 10 |
27 |
|
[FE]F:501 |
1 |
1 |
137 |
f |
F |
x,y,z |
1_555 |
11 |
6 |
19748 |
72.7 |
-14.5 |
0.000 |
0 |
0 |
0 |
0.218 |
28 |
|
[FE]B:501 |
1 |
1 |
137 |
f |
B |
x,y,z |
1_555 |
11 |
6 |
19763 |
72.6 |
-14.5 |
0.000 |
0 |
0 |
0 |
0.218 |
29 |
|
[FE]C:501 |
1 |
1 |
137 |
f |
C |
x,y,z |
1_555 |
11 |
6 |
19739 |
72.5 |
-14.4 |
0.000 |
0 |
0 |
0 |
0.218 |
30 |
|
[FE]E:501 |
1 |
1 |
137 |
f |
E |
x,y,z |
1_555 |
11 |
6 |
19734 |
72.5 |
-14.5 |
0.000 |
0 |
0 |
0 |
0.218 |
31 |
|
[FE]A:501 |
1 |
1 |
137 |
f |
A |
x,y,z |
1_555 |
10 |
5 |
19729 |
72.3 |
-14.5 |
0.000 |
0 |
0 |
0 |
0.218 |
32 |
|
[FE]D:501 |
1 |
1 |
137 |
f |
D |
x,y,z |
1_555 |
10 |
5 |
19721 |
72.0 |
-14.5 |
0.000 |
0 |
0 |
0 |
0.218 |
| Average: |
72.4 |
-14.5 |
0.000 |
0 |
0 |
0 |
0.218 |
| 11 |
33 |
|
F |
8 |
2 |
19748 |
◊ |
B |
x,y,z |
1_555 |
9 |
4 |
19763 |
68.5 |
-0.3 |
0.473 |
1 |
0 |
0 |
0.000 |
34 |
|
C |
8 |
2 |
19739 |
◊ |
E |
x-1,y-1,z |
1_445 |
9 |
4 |
19734 |
68.1 |
-0.3 |
0.488 |
1 |
0 |
0 |
0.000 |
| Average: |
68.3 |
-0.3 |
0.480 |
1 |
0 |
0 |
0.000 |
| 12 |
35 |
|
A |
7 |
1 |
19729 |
◊ |
F |
x-1,y,z |
1_455 |
9 |
5 |
19748 |
63.6 |
0.4 |
0.621 |
2 |
0 |
0 |
0.000 |
36 |
|
C |
10 |
6 |
19739 |
◊ |
D |
x,y-1,z |
1_545 |
5 |
1 |
19721 |
61.1 |
0.4 |
0.655 |
2 |
0 |
0 |
0.000 |
| Average: |
62.4 |
0.4 |
0.638 |
2 |
0 |
0 |
0.000 |
| 13 |
37 |
|
C |
6 |
3 |
19739 |
◊ |
F |
x-1/2,-y+1/2,-z |
4_455 |
4 |
1 |
19748 |
47.7 |
0.5 |
0.759 |
0 |
0 |
0 |
0.000 |
| 14 |
38 |
|
D |
5 |
2 |
19721 |
◊ |
E |
-x+1,y-1/2,-z+1/2 |
3_645 |
4 |
1 |
19734 |
35.0 |
0.0 |
0.659 |
0 |
0 |
0 |
0.000 |
39 |
|
A |
3 |
2 |
19729 |
◊ |
B |
-x,y-1/2,-z+1/2 |
3_545 |
4 |
1 |
19763 |
30.6 |
0.3 |
0.737 |
0 |
0 |
0 |
0.000 |
| Average: |
32.8 |
0.2 |
0.698 |
0 |
0 |
0 |
0.000 |
| 15 |
40 |
|
[FES]C:500 |
1 |
1 |
235 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
19729 |
8.9 |
-0.7 |
0.000 |
0 |
0 |
0 |
0.009 |
41 |
|
[FES]E:500 |
1 |
1 |
237 |
◊ |
F |
x,y,z |
1_555 |
3 |
1 |
19748 |
8.3 |
-0.7 |
0.000 |
0 |
0 |
0 |
0.009 |
42 |
|
[FES]D:500 |
1 |
1 |
234 |
◊ |
E |
x,y,z |
1_555 |
2 |
1 |
19734 |
7.8 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.009 |
43 |
|
[FES]A:500 |
1 |
1 |
234 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
19763 |
7.3 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.009 |
44 |
|
[FES]F:500 |
1 |
1 |
234 |
◊ |
D |
x,y,z |
1_555 |
3 |
1 |
19721 |
7.1 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.009 |
45 |
|
[FES]B:500 |
1 |
1 |
235 |
◊ |
C |
x,y,z |
1_555 |
3 |
1 |
19739 |
6.6 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.009 |
| Average: |
7.7 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.009 |
|