## |
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 |
121 |
30 |
13713 |
◊ |
C |
x,y,z |
1_555 |
119 |
27 |
12163 |
1088.6 |
-15.4 |
0.152 |
6 |
0 |
0 |
0.251 |
2 |
2 |
|
F |
113 |
28 |
12266 |
◊ |
A |
x,y,z |
1_555 |
111 |
32 |
14079 |
1008.2 |
-13.6 |
0.143 |
6 |
0 |
0 |
0.162 |
3 |
3 |
|
D |
83 |
21 |
11970 |
◊ |
B |
x,y,z |
1_555 |
81 |
21 |
12190 |
808.6 |
-13.6 |
0.050 |
5 |
0 |
0 |
0.228 |
4 |
4 |
|
B |
72 |
25 |
12190 |
◊ |
B |
-y,-x,-z+1/4 |
8_555 |
73 |
25 |
12190 |
760.4 |
-0.2 |
0.764 |
8 |
4 |
0 |
0.000 |
5 |
5 |
|
C |
70 |
21 |
12163 |
◊ |
A |
x,y,z |
1_555 |
64 |
18 |
14079 |
551.5 |
-2.4 |
0.418 |
10 |
8 |
0 |
0.026 |
6 |
6 |
|
F |
69 |
18 |
12266 |
◊ |
E |
x,y,z |
1_555 |
65 |
17 |
13713 |
539.0 |
-2.6 |
0.582 |
7 |
7 |
0 |
0.059 |
7 |
|
B |
37 |
11 |
12190 |
◊ |
A |
x,y,z |
1_555 |
33 |
12 |
14079 |
292.6 |
-1.6 |
0.594 |
3 |
4 |
0 |
0.059 |
Average: |
415.8 |
-2.1 |
0.588 |
5 |
6 |
0 |
0.059 |
7 |
8 |
|
F |
54 |
16 |
12266 |
◊ |
D |
x,y,z |
1_555 |
58 |
20 |
11970 |
519.2 |
-3.2 |
0.449 |
6 |
7 |
0 |
0.061 |
9 |
|
C |
56 |
15 |
12163 |
◊ |
B |
x,y,z |
1_555 |
61 |
21 |
12190 |
506.6 |
-2.5 |
0.520 |
5 |
7 |
0 |
0.061 |
Average: |
512.9 |
-2.9 |
0.485 |
6 |
7 |
0 |
0.061 |
8 |
10 |
|
E |
48 |
17 |
13713 |
◊ |
D |
x,y,z |
1_555 |
58 |
16 |
11970 |
475.6 |
-2.1 |
0.572 |
6 |
5 |
0 |
0.049 |
9 |
11 |
|
E |
45 |
14 |
13713 |
◊ |
E |
-y,-x,-z+1/4 |
8_555 |
44 |
14 |
13713 |
386.2 |
0.8 |
0.883 |
3 |
6 |
0 |
0.000 |
10 |
12 |
|
B |
39 |
9 |
12190 |
◊ |
A |
-x,y,-z |
5_555 |
42 |
15 |
14079 |
376.3 |
-0.5 |
0.513 |
4 |
3 |
0 |
0.000 |
11 |
13 |
|
D |
34 |
11 |
11970 |
◊ |
A |
-y,x-1,z+1/4 |
3_545 |
24 |
10 |
14079 |
277.8 |
-1.7 |
0.542 |
3 |
2 |
0 |
0.000 |
12 |
14 |
|
E |
34 |
8 |
13713 |
◊ |
E |
-x+1,y,-z |
5_655 |
34 |
8 |
13713 |
268.2 |
-5.7 |
0.188 |
1 |
0 |
0 |
0.000 |
13 |
15 |
|
E |
30 |
8 |
13713 |
◊ |
B |
x,y,z |
1_555 |
31 |
8 |
12190 |
264.0 |
-2.8 |
0.419 |
0 |
3 |
0 |
0.011 |
14 |
16 |
|
D |
30 |
6 |
11970 |
◊ |
A |
x,y,z |
1_555 |
31 |
8 |
14079 |
261.4 |
-2.5 |
0.432 |
0 |
5 |
0 |
0.011 |
15 |
17 |
|
F |
34 |
11 |
12266 |
◊ |
C |
x,y-1,z |
1_545 |
30 |
13 |
12163 |
245.8 |
0.9 |
0.776 |
3 |
0 |
0 |
0.000 |
16 |
18 |
|
F |
32 |
8 |
12266 |
◊ |
C |
x,y,z |
1_555 |
27 |
7 |
12163 |
235.0 |
-2.6 |
0.358 |
0 |
3 |
0 |
0.010 |
17 |
19 |
|
C |
27 |
10 |
12163 |
◊ |
C |
-x+1,y,-z |
5_655 |
27 |
10 |
12163 |
223.5 |
2.3 |
0.881 |
6 |
0 |
0 |
0.000 |
18 |
20 |
|
F |
20 |
7 |
12266 |
◊ |
B |
x,y-1,z |
1_545 |
27 |
10 |
12190 |
198.9 |
-1.1 |
0.291 |
2 |
0 |
0 |
0.000 |
19 |
21 |
|
D |
21 |
6 |
11970 |
◊ |
C |
-y,-x,-z+1/4 |
8_555 |
17 |
5 |
12163 |
174.0 |
-1.7 |
0.357 |
1 |
0 |
0 |
0.000 |
20 |
22 |
|
E |
18 |
7 |
13713 |
◊ |
C |
x,y-1,z |
1_545 |
18 |
6 |
12163 |
158.9 |
0.1 |
0.713 |
0 |
2 |
0 |
0.000 |
21 |
23 |
|
C |
19 |
10 |
12163 |
◊ |
A |
-x+1,y,-z |
5_655 |
17 |
7 |
14079 |
153.2 |
-0.1 |
0.650 |
2 |
1 |
0 |
0.000 |
22 |
24 |
|
E |
16 |
5 |
13713 |
◊ |
A |
-x+1,y,-z |
5_655 |
17 |
5 |
14079 |
139.2 |
-3.3 |
0.189 |
0 |
0 |
0 |
0.001 |
23 |
25 |
|
E |
13 |
5 |
13713 |
◊ |
A |
x,y,z |
1_555 |
13 |
5 |
14079 |
137.9 |
-2.0 |
0.261 |
0 |
0 |
0 |
0.006 |
24 |
26 |
|
B |
15 |
7 |
12190 |
◊ |
B |
-x,y,-z |
5_555 |
15 |
7 |
12190 |
124.0 |
0.9 |
0.785 |
2 |
4 |
0 |
0.000 |
25 |
27 |
|
[SO4]A:304 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
16 |
8 |
14079 |
117.3 |
-19.1 |
0.586 |
5 |
0 |
0 |
0.213 |
26 |
28 |
|
F |
11 |
5 |
12266 |
◊ |
A |
x,y-1,z |
1_545 |
16 |
8 |
14079 |
111.1 |
3.4 |
0.959 |
1 |
1 |
0 |
0.000 |
27 |
29 |
|
[SO4]F:302 |
5 |
1 |
185 |
cf |
F |
x,y,z |
1_555 |
16 |
7 |
12266 |
103.8 |
-16.5 |
0.710 |
2 |
0 |
0 |
0.173 |
28 |
30 |
|
[PO4]A:302 |
5 |
1 |
187 |
f |
A |
x,y,z |
1_555 |
11 |
5 |
14079 |
103.8 |
-7.1 |
0.747 |
7 |
0 |
0 |
0.102 |
29 |
31 |
|
[PO4]D:302 |
5 |
1 |
183 |
f |
D |
x,y,z |
1_555 |
9 |
5 |
11970 |
103.5 |
-7.1 |
0.757 |
5 |
0 |
0 |
0.135 |
30 |
32 |
|
[PO4]B:301 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
11 |
5 |
12190 |
100.1 |
-7.2 |
0.690 |
7 |
0 |
0 |
0.149 |
31 |
33 |
|
[PO4]F:301 |
5 |
1 |
187 |
f |
F |
x,y,z |
1_555 |
11 |
5 |
12266 |
99.7 |
-7.3 |
0.690 |
8 |
0 |
0 |
0.108 |
32 |
34 |
|
[PO4]C:301 |
5 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
10 |
5 |
12163 |
99.6 |
-7.4 |
0.650 |
7 |
0 |
0 |
0.146 |
33 |
35 |
|
[SO4]D:303 |
5 |
1 |
185 |
cf |
D |
x,y,z |
1_555 |
14 |
7 |
11970 |
98.7 |
-15.7 |
0.768 |
5 |
0 |
0 |
0.259 |
34 |
36 |
|
[SO4]E:302 |
5 |
1 |
185 |
cf |
E |
x,y,z |
1_555 |
15 |
6 |
13713 |
96.6 |
-15.8 |
0.813 |
3 |
0 |
0 |
0.237 |
35 |
37 |
|
[PO4]E:301 |
5 |
1 |
186 |
f |
E |
x,y,z |
1_555 |
9 |
5 |
13713 |
96.1 |
-6.9 |
0.739 |
5 |
0 |
0 |
0.126 |
36 |
38 |
|
[SO4]C:302 |
5 |
1 |
186 |
cf |
C |
x,y,z |
1_555 |
11 |
6 |
12163 |
93.1 |
-15.1 |
0.762 |
5 |
0 |
0 |
0.240 |
37 |
39 |
|
[SO4]A:303 |
5 |
1 |
186 |
cf |
A |
x,y,z |
1_555 |
14 |
7 |
14079 |
92.5 |
-14.8 |
0.742 |
2 |
0 |
0 |
0.157 |
38 |
40 |
|
[SO4]B:302 |
5 |
1 |
184 |
cf |
B |
x,y,z |
1_555 |
12 |
5 |
12190 |
91.8 |
-14.9 |
0.742 |
2 |
0 |
0 |
0.229 |
39 |
41 |
|
D |
7 |
2 |
11970 |
◊ |
B |
x,y-1,z |
1_545 |
7 |
3 |
12190 |
66.7 |
1.6 |
0.861 |
2 |
2 |
0 |
0.000 |
40 |
42 |
|
F |
9 |
2 |
12266 |
◊ |
E |
-x+1,y,-z |
5_655 |
6 |
3 |
13713 |
41.1 |
0.4 |
0.744 |
1 |
0 |
0 |
0.000 |
41 |
43 |
|
[FE]D:301 |
1 |
1 |
137 |
◊ |
D |
x,y,z |
1_555 |
6 |
3 |
11970 |
41.1 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.076 |
44 |
|
[FE]A:301 |
1 |
1 |
137 |
◊ |
C |
x,y,z |
1_555 |
6 |
3 |
12163 |
38.4 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.076 |
45 |
|
[FE]A:301 |
1 |
1 |
137 |
◊ |
B |
x,y,z |
1_555 |
5 |
3 |
12190 |
37.2 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.076 |
46 |
|
[FE]D:301 |
1 |
1 |
137 |
◊ |
E |
x,y,z |
1_555 |
4 |
2 |
13713 |
35.7 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.076 |
Average: |
38.1 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.076 |
42 |
47 |
|
[FE]A:301 |
1 |
1 |
137 |
f |
A |
x,y,z |
1_555 |
6 |
3 |
14079 |
39.1 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.085 |
48 |
|
[FE]D:301 |
1 |
1 |
137 |
f |
F |
x,y,z |
1_555 |
5 |
3 |
12266 |
37.8 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.085 |
Average: |
38.5 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.085 |
43 |
49 |
|
E |
1 |
1 |
13713 |
◊ |
B |
-y,-x,-z+1/4 |
8_555 |
1 |
1 |
12190 |
0.6 |
0.0 |
0.701 |
0 |
0 |
0 |
0.000 |
|