## |
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 |
|
C |
115 |
31 |
16171 |
◊ |
B |
x,y,z |
1_555 |
111 |
29 |
15929 |
1129.6 |
-6.3 |
0.374 |
18 |
6 |
0 |
0.170 |
2 |
|
C |
115 |
28 |
16171 |
◊ |
A |
x,y,z |
1_555 |
117 |
32 |
15946 |
1112.1 |
-9.2 |
0.194 |
15 |
6 |
0 |
0.170 |
3 |
|
B |
116 |
31 |
15929 |
◊ |
A |
x,y,z |
1_555 |
115 |
29 |
15946 |
1078.9 |
-11.5 |
0.124 |
15 |
6 |
0 |
0.170 |
Average: |
1106.9 |
-9.0 |
0.231 |
16 |
6 |
0 |
0.170 |
2 |
4 |
|
B |
109 |
28 |
15929 |
◊ |
B |
-x,y,-z |
3_555 |
108 |
28 |
15929 |
951.1 |
2.1 |
0.830 |
16 |
10 |
0 |
0.000 |
3 |
5 |
|
C |
88 |
26 |
16171 |
◊ |
B |
-x-1/2,-y-1/2,z |
6_445 |
85 |
23 |
15929 |
857.1 |
-10.3 |
0.106 |
5 |
1 |
0 |
0.058 |
6 |
|
A |
62 |
20 |
15946 |
◊ |
A |
-x-1/2,-y-1/2,z |
6_445 |
60 |
20 |
15946 |
649.2 |
-9.7 |
0.051 |
4 |
0 |
0 |
0.058 |
Average: |
753.1 |
-10.0 |
0.079 |
5 |
1 |
0 |
0.058 |
4 |
7 |
|
C |
65 |
22 |
16171 |
◊ |
C |
x,-y,-z+1 |
4_556 |
65 |
22 |
16171 |
665.2 |
0.2 |
0.694 |
12 |
0 |
0 |
0.000 |
5 |
8 |
|
A |
75 |
26 |
15946 |
◊ |
A |
-x,y,-z+1 |
3_556 |
74 |
26 |
15946 |
663.6 |
-4.9 |
0.341 |
6 |
0 |
0 |
0.038 |
6 |
9 |
|
[U5A]A:504 |
18 |
1 |
428 |
f |
A |
x,y,z |
1_555 |
52 |
24 |
15946 |
311.9 |
5.2 |
0.360 |
6 |
0 |
0 |
0.000 |
10 |
|
[U5A]C:504 |
17 |
1 |
431 |
f |
C |
x,y,z |
1_555 |
52 |
24 |
16171 |
307.1 |
3.9 |
0.301 |
0 |
0 |
0 |
0.000 |
Average: |
309.5 |
4.6 |
0.331 |
3 |
0 |
0 |
0.000 |
7 |
11 |
|
[U5A]B:505 |
18 |
1 |
419 |
f |
B |
x,y,z |
1_555 |
46 |
23 |
15929 |
296.7 |
4.4 |
0.287 |
1 |
0 |
0 |
0.000 |
8 |
12 |
|
C |
15 |
7 |
16171 |
◊ |
B |
x,-y,-z |
4_555 |
17 |
5 |
15929 |
130.6 |
-0.5 |
0.452 |
2 |
0 |
0 |
0.004 |
9 |
13 |
|
[FES]B:501 |
4 |
1 |
237 |
f |
B |
x,y,z |
1_555 |
18 |
8 |
15929 |
124.3 |
-16.5 |
0.624 |
2 |
0 |
0 |
0.172 |
14 |
|
[FES]A:501 |
4 |
1 |
234 |
f |
A |
x,y,z |
1_555 |
16 |
8 |
15946 |
122.0 |
-16.2 |
0.613 |
2 |
0 |
0 |
0.172 |
Average: |
123.2 |
-16.4 |
0.618 |
2 |
0 |
0 |
0.172 |
10 |
15 |
|
[FES]C:501 |
4 |
1 |
236 |
f |
C |
x,y,z |
1_555 |
18 |
9 |
16171 |
123.8 |
-16.6 |
0.629 |
2 |
0 |
0 |
0.058 |
11 |
16 |
|
A |
13 |
5 |
15946 |
◊ |
A |
x,-y,-z+1 |
4_556 |
13 |
5 |
15946 |
116.9 |
-1.3 |
0.360 |
0 |
0 |
0 |
0.000 |
12 |
17 |
|
[GOL]A:502 |
6 |
1 |
217 |
f |
A |
x,y,z |
1_555 |
16 |
6 |
15946 |
112.1 |
0.6 |
0.695 |
3 |
0 |
0 |
0.007 |
13 |
18 |
|
[GOL]B:503 |
6 |
1 |
220 |
f |
B |
x,y,z |
1_555 |
15 |
6 |
15929 |
100.1 |
-0.4 |
0.515 |
2 |
0 |
0 |
0.004 |
14 |
19 |
|
[GOL]B:504 |
6 |
1 |
215 |
f |
B |
x,y,z |
1_555 |
13 |
5 |
15929 |
97.2 |
-0.3 |
0.621 |
4 |
0 |
0 |
0.007 |
15 |
20 |
|
[SO4]B:509 |
5 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
13 |
5 |
15929 |
95.8 |
-12.1 |
0.873 |
3 |
0 |
0 |
0.045 |
16 |
21 |
|
[SO4]A:507 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
19 |
7 |
15946 |
95.0 |
-13.4 |
0.793 |
1 |
0 |
0 |
0.139 |
17 |
22 |
|
[SO4]C:508 |
5 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
14 |
6 |
16171 |
93.1 |
-11.2 |
0.927 |
3 |
0 |
0 |
0.042 |
18 |
23 |
|
[GOL]B:502 |
6 |
1 |
214 |
f |
B |
x,y,z |
1_555 |
16 |
6 |
15929 |
92.2 |
0.4 |
0.663 |
2 |
0 |
0 |
0.002 |
19 |
24 |
|
C |
10 |
5 |
16171 |
◊ |
C |
x,-y,-z |
4_555 |
10 |
5 |
16171 |
92.0 |
-0.6 |
0.485 |
0 |
0 |
0 |
0.000 |
20 |
25 |
|
[GOL]A:503 |
6 |
1 |
218 |
f |
A |
x,y,z |
1_555 |
18 |
5 |
15946 |
91.6 |
-0.5 |
0.535 |
3 |
0 |
0 |
0.019 |
21 |
26 |
|
[SO4]C:506 |
5 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
12 |
4 |
16171 |
89.0 |
-13.4 |
0.776 |
5 |
0 |
0 |
0.052 |
22 |
27 |
|
[SO4]A:509 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
14 |
5 |
15946 |
88.9 |
-12.1 |
0.853 |
3 |
0 |
0 |
0.135 |
23 |
28 |
|
[GOL]C:503 |
5 |
1 |
216 |
f |
C |
x,y,z |
1_555 |
14 |
7 |
16171 |
87.2 |
-0.5 |
0.540 |
2 |
0 |
0 |
0.005 |
24 |
29 |
|
[GOL]C:502 |
6 |
1 |
219 |
f |
C |
x,y,z |
1_555 |
16 |
6 |
16171 |
85.5 |
-0.2 |
0.592 |
2 |
0 |
0 |
0.004 |
25 |
30 |
|
[SO4]C:507 |
4 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
12 |
6 |
16171 |
83.2 |
-11.6 |
0.772 |
4 |
0 |
0 |
0.045 |
26 |
31 |
|
[FE]C:505 |
1 |
1 |
137 |
f |
C |
x,y,z |
1_555 |
9 |
7 |
16171 |
66.1 |
-12.7 |
0.000 |
0 |
0 |
0 |
0.124 |
32 |
|
[FE]A:505 |
1 |
1 |
137 |
f |
A |
x,y,z |
1_555 |
9 |
7 |
15946 |
64.6 |
-12.3 |
0.000 |
0 |
0 |
0 |
0.124 |
33 |
|
[FE]B:506 |
1 |
1 |
137 |
f |
B |
x,y,z |
1_555 |
10 |
8 |
15929 |
61.6 |
-11.8 |
0.000 |
0 |
0 |
0 |
0.124 |
Average: |
64.1 |
-12.3 |
0.000 |
0 |
0 |
0 |
0.124 |
27 |
34 |
|
[SO4]A:508 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
11 |
6 |
15946 |
63.1 |
-9.0 |
0.682 |
2 |
0 |
0 |
0.099 |
28 |
35 |
|
[SO4]B:510 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
15 |
5 |
15929 |
62.9 |
-8.6 |
0.716 |
1 |
0 |
0 |
0.030 |
29 |
36 |
|
[SO4]A:510 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
4 |
2 |
15946 |
62.2 |
-7.0 |
0.965 |
4 |
0 |
0 |
0.089 |
30 |
37 |
|
[SO4]B:507 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
8 |
3 |
15929 |
58.6 |
-7.6 |
0.840 |
2 |
0 |
0 |
0.029 |
31 |
38 |
|
[SO4]A:506 |
4 |
1 |
185 |
f |
A |
-x,y,-z+1 |
3_556 |
10 |
6 |
15946 |
56.5 |
-7.1 |
0.787 |
1 |
0 |
0 |
0.076 |
32 |
39 |
|
[SO4]B:510 |
4 |
1 |
185 |
◊ |
C |
x,-y,-z |
4_555 |
10 |
4 |
16171 |
54.9 |
-6.7 |
0.859 |
3 |
0 |
0 |
0.026 |
33 |
40 |
|
[SO4]B:508 |
4 |
1 |
187 |
f |
A |
x,y,z |
1_555 |
6 |
1 |
15946 |
49.3 |
-6.9 |
0.427 |
0 |
0 |
0 |
0.069 |
34 |
41 |
|
[SO4]B:508 |
3 |
1 |
187 |
◊ |
B |
x,y,z |
1_555 |
4 |
1 |
15929 |
46.5 |
-5.4 |
0.890 |
2 |
0 |
0 |
0.021 |
35 |
42 |
|
[SO4]B:511 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
6 |
4 |
15929 |
45.9 |
-4.6 |
0.939 |
2 |
0 |
0 |
0.018 |
36 |
43 |
|
[GOL]A:503 |
4 |
1 |
218 |
◊ |
B |
x,y,z |
1_555 |
6 |
3 |
15929 |
45.8 |
-0.4 |
0.451 |
0 |
0 |
0 |
0.001 |
37 |
44 |
|
[SO4]B:510 |
5 |
1 |
185 |
◊ |
C |
x,y,z |
1_555 |
6 |
3 |
16171 |
44.9 |
-5.2 |
0.794 |
1 |
0 |
0 |
0.019 |
38 |
45 |
|
[GOL]A:502 |
4 |
1 |
217 |
◊ |
A |
-x,y,-z+1 |
3_556 |
5 |
3 |
15946 |
35.0 |
0.1 |
0.595 |
0 |
0 |
0 |
0.000 |
39 |
46 |
|
[SO4]A:506 |
3 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
6 |
3 |
15946 |
32.1 |
-3.8 |
0.872 |
1 |
0 |
0 |
0.043 |
40 |
47 |
|
[SO4]A:510 |
3 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
15929 |
27.5 |
-3.7 |
0.685 |
0 |
0 |
0 |
0.012 |
41 |
48 |
|
[FE]B:506 |
1 |
1 |
137 |
f |
[U5A]B:505 |
x,y,z |
1_555 |
5 |
1 |
419 |
26.9 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.007 |
42 |
49 |
|
B |
3 |
3 |
15929 |
◊ |
B |
x,-y,-z |
4_555 |
3 |
3 |
15929 |
24.9 |
-0.8 |
0.209 |
0 |
0 |
0 |
0.001 |
43 |
50 |
|
[FE]A:505 |
1 |
1 |
137 |
f |
[U5A]A:504 |
x,y,z |
1_555 |
5 |
1 |
428 |
21.6 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.016 |
51 |
|
[FE]C:505 |
1 |
1 |
137 |
f |
[U5A]C:504 |
x,y,z |
1_555 |
5 |
1 |
431 |
19.3 |
-1.5 |
0.000 |
0 |
0 |
0 |
0.016 |
Average: |
20.5 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.016 |
44 |
52 |
|
C |
2 |
2 |
16171 |
◊ |
A |
x,-y,-z+1 |
4_556 |
2 |
1 |
15946 |
8.4 |
-0.3 |
0.368 |
0 |
0 |
0 |
0.000 |
45 |
53 |
|
[FES]A:501 |
1 |
1 |
234 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
15929 |
3.2 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.000 |
54 |
|
[FES]B:501 |
1 |
1 |
237 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
16171 |
2.1 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.000 |
Average: |
2.6 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.001 |
46 |
55 |
|
[FE]C:505 |
1 |
1 |
137 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
15929 |
3.1 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.003 |
56 |
|
[FE]A:505 |
1 |
1 |
137 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
16171 |
2.6 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.003 |
57 |
|
[FE]B:506 |
1 |
1 |
137 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
15946 |
2.0 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.003 |
Average: |
2.5 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.003 |
47 |
58 |
|
[FES]C:501 |
1 |
1 |
236 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
15946 |
1.1 |
-0.0 |
0.000 |
0 |
0 |
0 |
0.000 |
48 |
59 |
|
[GOL]C:503 |
1 |
1 |
216 |
◊ |
B |
-x-1/2,-y-1/2,z |
6_445 |
1 |
1 |
15929 |
0.5 |
0.0 |
0.578 |
0 |
0 |
0 |
0.000 |
|