## |
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 |
|
D |
495 |
118 |
19020 |
◊ |
B |
x,y,z |
1_555 |
551 |
136 |
21385 |
5063.0 |
-54.6 |
0.028 |
73 |
13 |
0 |
0.765 |
2 |
|
C |
500 |
121 |
18941 |
◊ |
A |
x,y,z |
1_555 |
554 |
133 |
21396 |
5039.1 |
-52.7 |
0.043 |
64 |
15 |
0 |
0.765 |
Average: |
5051.0 |
-53.6 |
0.035 |
69 |
14 |
0 |
0.765 |
2 |
3 |
|
E |
209 |
51 |
10573 |
◊ |
A |
x,y,z |
1_555 |
233 |
57 |
21396 |
2110.4 |
-12.5 |
0.333 |
34 |
10 |
0 |
0.531 |
4 |
|
F |
210 |
52 |
10560 |
◊ |
B |
x,y,z |
1_555 |
223 |
55 |
21385 |
2077.9 |
-14.4 |
0.281 |
34 |
10 |
0 |
0.531 |
Average: |
2094.2 |
-13.5 |
0.307 |
34 |
10 |
0 |
0.531 |
3 |
5 |
|
D |
207 |
54 |
19020 |
◊ |
C |
x,y,z |
1_555 |
214 |
56 |
18941 |
2003.4 |
-17.3 |
0.376 |
31 |
33 |
0 |
1.000 |
4 |
6 |
|
E |
153 |
42 |
10573 |
◊ |
C |
x,y,z |
1_555 |
173 |
40 |
18941 |
1380.8 |
-13.8 |
0.224 |
18 |
9 |
0 |
1.000 |
7 |
|
F |
147 |
42 |
10560 |
◊ |
D |
x,y,z |
1_555 |
176 |
42 |
19020 |
1352.7 |
-14.4 |
0.195 |
14 |
9 |
0 |
1.000 |
Average: |
1366.7 |
-14.1 |
0.209 |
16 |
9 |
0 |
1.000 |
5 |
8 |
|
B |
63 |
16 |
21385 |
◊ |
A |
x,y,z |
1_555 |
62 |
15 |
21396 |
597.7 |
-5.5 |
0.236 |
13 |
2 |
0 |
0.042 |
6 |
9 |
|
D |
49 |
15 |
19020 |
◊ |
A |
x,y,z |
1_555 |
41 |
11 |
21396 |
420.7 |
0.6 |
0.733 |
5 |
6 |
0 |
0.011 |
10 |
|
C |
44 |
15 |
18941 |
◊ |
B |
x,y,z |
1_555 |
35 |
9 |
21385 |
376.8 |
2.7 |
0.879 |
5 |
7 |
0 |
0.011 |
Average: |
398.8 |
1.7 |
0.806 |
5 |
7 |
0 |
0.011 |
7 |
11 |
|
C |
30 |
12 |
18941 |
◊ |
E |
x-1/2,-y+1/2,-z+1 |
4_456 |
35 |
11 |
10573 |
327.8 |
2.1 |
0.870 |
4 |
9 |
0 |
0.000 |
8 |
12 |
|
C |
32 |
9 |
18941 |
◊ |
B |
-x+2,y-1/2,-z+1/2 |
3_745 |
43 |
10 |
21385 |
312.7 |
1.7 |
0.797 |
4 |
6 |
0 |
0.000 |
9 |
13 |
|
F |
23 |
6 |
10560 |
◊ |
A |
-x+5/2,-y+1,z-1/2 |
2_764 |
21 |
6 |
21396 |
181.0 |
0.3 |
0.691 |
1 |
0 |
0 |
0.000 |
10 |
14 |
|
[IPH]B:2666 |
7 |
1 |
238 |
f |
B |
x,y,z |
1_555 |
24 |
12 |
21385 |
158.4 |
5.7 |
0.360 |
1 |
0 |
0 |
0.000 |
15 |
|
[IPH]A:2667 |
7 |
1 |
237 |
f |
A |
x,y,z |
1_555 |
27 |
14 |
21396 |
157.9 |
5.8 |
0.355 |
1 |
0 |
0 |
0.000 |
Average: |
158.2 |
5.7 |
0.358 |
1 |
0 |
0 |
0.000 |
11 |
16 |
|
F |
19 |
4 |
10560 |
◊ |
E |
-x+5/2,-y+1,z-1/2 |
2_764 |
18 |
5 |
10573 |
157.6 |
-2.1 |
0.372 |
2 |
0 |
0 |
0.000 |
12 |
17 |
|
B |
20 |
8 |
21385 |
◊ |
A |
-x+5/2,-y+1,z-1/2 |
2_764 |
14 |
4 |
21396 |
139.3 |
-0.9 |
0.392 |
1 |
0 |
0 |
0.000 |
13 |
18 |
|
E |
13 |
4 |
10573 |
x |
E |
x-1/2,-y+1/2,-z+1 |
4_456 |
15 |
5 |
10573 |
130.9 |
0.6 |
0.736 |
2 |
0 |
0 |
0.000 |
14 |
19 |
|
B |
12 |
4 |
21385 |
◊ |
E |
-x+5/2,-y+1,z-1/2 |
2_764 |
8 |
3 |
10573 |
70.2 |
1.0 |
0.760 |
2 |
0 |
0 |
0.000 |
15 |
20 |
|
A |
5 |
2 |
21396 |
◊ |
E |
x-1/2,-y+1/2,-z+1 |
4_456 |
7 |
5 |
10573 |
57.9 |
1.1 |
0.840 |
1 |
0 |
0 |
0.000 |
16 |
21 |
|
[FE]A:1174 |
1 |
1 |
137 |
f |
A |
x,y,z |
1_555 |
14 |
8 |
21396 |
53.5 |
-9.2 |
0.000 |
0 |
0 |
0 |
0.161 |
22 |
|
[FE]B:1170 |
1 |
1 |
137 |
f |
B |
x,y,z |
1_555 |
14 |
7 |
21385 |
51.1 |
-9.0 |
0.000 |
0 |
0 |
0 |
0.161 |
Average: |
52.3 |
-9.1 |
0.000 |
0 |
0 |
0 |
0.161 |
17 |
23 |
|
[FE]A:1175 |
1 |
1 |
137 |
f |
A |
x,y,z |
1_555 |
12 |
7 |
21396 |
50.6 |
-9.2 |
0.000 |
0 |
0 |
0 |
0.162 |
24 |
|
[FE]B:1171 |
1 |
1 |
137 |
f |
B |
x,y,z |
1_555 |
12 |
7 |
21385 |
49.7 |
-8.8 |
0.000 |
0 |
0 |
0 |
0.162 |
Average: |
50.2 |
-9.0 |
0.000 |
0 |
0 |
0 |
0.162 |
18 |
25 |
|
[OH]A:1177 |
1 |
1 |
99 |
f |
A |
x,y,z |
1_555 |
12 |
7 |
21396 |
28.7 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.047 |
26 |
|
[OH]B:1173 |
1 |
1 |
99 |
f |
B |
x,y,z |
1_555 |
10 |
6 |
21385 |
27.8 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.047 |
Average: |
28.2 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.047 |
19 |
27 |
|
[FE]B:1171 |
1 |
1 |
137 |
f |
[FE]B:1170 |
x,y,z |
1_555 |
1 |
1 |
137 |
25.4 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.087 |
20 |
28 |
|
[FE]A:1175 |
1 |
1 |
137 |
f |
[FE]A:1174 |
x,y,z |
1_555 |
1 |
1 |
137 |
25.1 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.088 |
21 |
29 |
|
[OH]B:1173 |
1 |
1 |
99 |
f |
[FE]B:1171 |
x,y,z |
1_555 |
1 |
1 |
137 |
23.6 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.061 |
22 |
30 |
|
[OH]A:1177 |
1 |
1 |
99 |
f |
[FE]A:1175 |
x,y,z |
1_555 |
1 |
1 |
137 |
23.4 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.062 |
23 |
31 |
|
[OH]B:1173 |
1 |
1 |
99 |
f |
[FE]B:1170 |
x,y,z |
1_555 |
1 |
1 |
137 |
23.2 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.060 |
24 |
32 |
|
[OH]A:1177 |
1 |
1 |
99 |
f |
[FE]A:1174 |
x,y,z |
1_555 |
1 |
1 |
137 |
22.9 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.061 |
25 |
33 |
|
A |
1 |
1 |
21396 |
x |
A |
x-1,y,z |
1_455 |
1 |
1 |
21396 |
4.0 |
0.1 |
0.541 |
0 |
0 |
0 |
0.000 |
|