| ## |
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 |
|
A |
54 |
22 |
8957 |
◊ |
B |
x-1/2,-y+3/2,-z+3/4 |
6_465 |
48 |
18 |
9000 |
487.6 |
-6.4 |
0.437 |
3 |
0 |
0 |
0.000 |
| 2 |
2 |
|
C |
54 |
17 |
9234 |
x |
A |
y,x,-z+1 |
7_556 |
54 |
16 |
8957 |
477.1 |
-4.6 |
0.412 |
3 |
0 |
0 |
0.000 |
3 |
|
B |
36 |
12 |
9000 |
x |
B |
-y+3/2,x+1/2,z+1/4 |
3_655 |
36 |
14 |
9000 |
369.1 |
-6.6 |
0.398 |
2 |
0 |
0 |
0.000 |
| Average: |
423.1 |
-5.6 |
0.405 |
3 |
0 |
0 |
0.000 |
| 3 |
4 |
|
A |
51 |
12 |
8957 |
◊ |
C |
-y+1/2,x+1/2,z+1/4 |
3_555 |
49 |
17 |
9234 |
449.1 |
-4.3 |
0.408 |
5 |
0 |
0 |
0.005 |
| 4 |
5 |
|
[EB4]C:186 |
40 |
1 |
729 |
f |
C |
x,y,z |
1_555 |
61 |
20 |
9234 |
427.8 |
3.0 |
0.636 |
5 |
0 |
0 |
0.000 |
| 5 |
6 |
|
[EB4]A:183 |
36 |
1 |
703 |
f |
A |
x,y,z |
1_555 |
62 |
20 |
8957 |
401.9 |
0.6 |
0.582 |
3 |
0 |
0 |
0.001 |
| 6 |
7 |
|
C |
41 |
18 |
9234 |
◊ |
C |
y,x,-z+1 |
7_556 |
41 |
18 |
9234 |
389.4 |
-3.5 |
0.427 |
4 |
0 |
0 |
0.000 |
| 7 |
8 |
|
C |
36 |
10 |
9234 |
◊ |
A |
x,y,z |
1_555 |
53 |
14 |
8957 |
375.2 |
1.7 |
0.860 |
7 |
0 |
0 |
0.000 |
| 8 |
9 |
|
C |
30 |
11 |
9234 |
◊ |
C |
-y+1,-x+1,-z+1/2 |
8_665 |
30 |
11 |
9234 |
252.9 |
-1.5 |
0.576 |
0 |
0 |
0 |
0.000 |
| 9 |
10 |
|
C |
37 |
10 |
9234 |
◊ |
B |
-y+1,-x+1,-z+1/2 |
8_665 |
24 |
8 |
9000 |
241.6 |
0.6 |
0.738 |
3 |
0 |
0 |
0.000 |
| 10 |
11 |
|
[DBH]B:303 |
11 |
1 |
283 |
f |
B |
x,y,z |
1_555 |
25 |
9 |
9000 |
148.6 |
1.0 |
0.702 |
1 |
0 |
0 |
0.000 |
| 11 |
12 |
|
B |
29 |
9 |
9000 |
◊ |
A |
-y+1,-x+1,-z+1/2 |
8_665 |
15 |
6 |
8957 |
145.0 |
-0.3 |
0.805 |
0 |
0 |
0 |
0.000 |
| 12 |
13 |
|
[GOL]C:187 |
6 |
1 |
219 |
f |
C |
x,y,z |
1_555 |
17 |
7 |
9234 |
101.4 |
-1.5 |
0.374 |
1 |
0 |
0 |
0.003 |
| 13 |
14 |
|
[SO4]A:181 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
15 |
10 |
8957 |
89.8 |
-15.8 |
0.801 |
7 |
0 |
0 |
0.031 |
| 14 |
15 |
|
[DBH]B:304 |
6 |
1 |
284 |
f |
B |
x,y,z |
1_555 |
14 |
8 |
9000 |
79.4 |
0.3 |
0.620 |
0 |
0 |
0 |
0.000 |
| 15 |
16 |
|
[GOL]C:188 |
6 |
1 |
220 |
f |
[EB4]C:186 |
x,y,z |
1_555 |
17 |
1 |
729 |
77.9 |
0.8 |
0.399 |
2 |
0 |
0 |
0.000 |
| 16 |
17 |
|
[NA]B:180 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
13 |
7 |
9000 |
77.2 |
-9.2 |
0.000 |
0 |
0 |
0 |
0.044 |
18 |
|
[NA]C:180 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
13 |
9 |
9234 |
64.1 |
-10.1 |
0.000 |
0 |
0 |
0 |
0.044 |
| Average: |
70.6 |
-9.6 |
0.000 |
0 |
0 |
0 |
0.044 |
| 17 |
19 |
|
[SO4]C:185 |
4 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
11 |
5 |
9234 |
68.8 |
-9.3 |
0.878 |
2 |
0 |
0 |
0.017 |
| 18 |
20 |
|
[GOL]C:188 |
5 |
1 |
220 |
f |
C |
x,y,z |
1_555 |
14 |
3 |
9234 |
68.3 |
-1.2 |
0.385 |
0 |
0 |
0 |
0.002 |
| 19 |
21 |
|
[SO4]A:182 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
9 |
5 |
8957 |
68.0 |
-9.1 |
0.914 |
2 |
0 |
0 |
0.016 |
| 20 |
22 |
|
[FE]C:179 |
1 |
1 |
137 |
f |
C |
x,y,z |
1_555 |
10 |
5 |
9234 |
65.3 |
-7.6 |
0.000 |
0 |
0 |
0 |
0.020 |
23 |
|
[FE]A:179 |
1 |
1 |
137 |
f |
A |
x,y,z |
1_555 |
10 |
4 |
8957 |
48.2 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.020 |
24 |
|
[FE]B:179 |
1 |
1 |
137 |
f |
B |
x,y,z |
1_555 |
5 |
3 |
9000 |
45.6 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.020 |
| Average: |
53.0 |
-5.3 |
0.000 |
0 |
0 |
0 |
0.020 |
| 21 |
25 |
|
[GOL]A:184 |
5 |
1 |
219 |
f |
A |
x,y,z |
1_555 |
8 |
5 |
8957 |
64.8 |
-1.4 |
0.356 |
0 |
0 |
0 |
0.002 |
| 22 |
26 |
|
[GOL]C:187 |
5 |
1 |
219 |
◊ |
C |
y,x,-z+1 |
7_556 |
11 |
5 |
9234 |
63.6 |
0.3 |
0.697 |
2 |
0 |
0 |
0.000 |
| 23 |
27 |
|
[NA]C:183 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
9 |
5 |
9234 |
56.2 |
-6.3 |
0.000 |
0 |
0 |
0 |
0.011 |
| 24 |
28 |
|
[DBH]B:304 |
10 |
1 |
284 |
f |
[DBH]B:303 |
x,y,z |
1_555 |
5 |
1 |
283 |
54.5 |
0.2 |
0.410 |
1 |
0 |
0 |
0.001 |
| 25 |
29 |
|
[NA]C:181 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
10 |
6 |
9234 |
50.0 |
-6.7 |
0.000 |
0 |
0 |
0 |
0.011 |
30 |
|
[NA]A:180 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
9 |
5 |
8957 |
46.1 |
-5.9 |
0.000 |
0 |
0 |
0 |
0.011 |
| Average: |
48.0 |
-6.3 |
0.000 |
0 |
0 |
0 |
0.011 |
| 26 |
31 |
|
[DBH]B:304 |
5 |
1 |
284 |
f |
[FE]B:179 |
x,y,z |
1_555 |
1 |
1 |
137 |
44.7 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.039 |
32 |
|
[DBH]B:303 |
4 |
1 |
283 |
f |
[FE]B:179 |
x,y,z |
1_555 |
1 |
1 |
137 |
42.2 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.039 |
| Average: |
43.4 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.039 |
| 27 |
33 |
|
[NA]C:181 |
1 |
1 |
125 |
f |
[EB4]C:186 |
x,y,z |
1_555 |
16 |
1 |
729 |
43.8 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.008 |
| 28 |
34 |
|
[NA]A:180 |
1 |
1 |
125 |
f |
[EB4]A:183 |
x,y,z |
1_555 |
10 |
1 |
703 |
42.8 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.007 |
| 29 |
35 |
|
[EB4]A:183 |
4 |
1 |
703 |
f |
[FE]A:179 |
x,y,z |
1_555 |
1 |
1 |
137 |
41.6 |
-8.0 |
0.000 |
0 |
0 |
0 |
0.013 |
| 30 |
36 |
|
[SO4]A:182 |
4 |
1 |
185 |
◊ |
C |
-y+1/2,x+1/2,z+1/4 |
3_555 |
2 |
1 |
9234 |
38.0 |
-3.1 |
0.984 |
1 |
0 |
0 |
0.003 |
| 31 |
37 |
|
[NA]C:182 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
5 |
3 |
9234 |
34.8 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.006 |
| 32 |
38 |
|
[SO4]C:185 |
4 |
1 |
184 |
◊ |
A |
y,x,-z+1 |
7_556 |
2 |
1 |
8957 |
34.5 |
-3.0 |
0.968 |
0 |
0 |
0 |
0.000 |
| 33 |
39 |
|
[GOL]A:184 |
3 |
1 |
219 |
◊ |
B |
-y+1,-x+1,-z+1/2 |
8_665 |
3 |
1 |
9000 |
34.2 |
0.5 |
0.792 |
2 |
0 |
0 |
0.000 |
| 34 |
40 |
|
[NA]C:184 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
6 |
1 |
9234 |
28.3 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.006 |
| 35 |
41 |
|
[SO4]A:181 |
3 |
1 |
185 |
f |
[EB4]A:183 |
x,y,z |
1_555 |
3 |
1 |
703 |
26.9 |
-2.5 |
0.848 |
1 |
0 |
0 |
0.005 |
| 36 |
42 |
|
[GOL]A:184 |
2 |
1 |
219 |
◊ |
C |
x,y,z |
1_555 |
4 |
2 |
9234 |
25.3 |
0.4 |
0.678 |
1 |
0 |
0 |
0.000 |
| 37 |
43 |
|
[NA]C:180 |
1 |
1 |
125 |
f |
[EB4]C:186 |
x,y,z |
1_555 |
3 |
1 |
729 |
20.9 |
-1.5 |
0.000 |
0 |
0 |
0 |
0.003 |
| 38 |
44 |
|
[NA]C:182 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
4 |
2 |
8957 |
17.9 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.000 |
| 39 |
45 |
|
[NA]C:184 |
1 |
1 |
125 |
◊ |
C |
-y+1,-x+1,-z+1/2 |
8_665 |
2 |
1 |
9234 |
14.6 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.000 |
| 40 |
46 |
|
[GOL]C:188 |
3 |
1 |
220 |
f |
[FE]C:179 |
x,y,z |
1_555 |
1 |
1 |
137 |
13.1 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.002 |
| 41 |
47 |
|
B |
1 |
1 |
9000 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
8957 |
12.1 |
-0.4 |
0.217 |
0 |
0 |
0 |
0.000 |
| 42 |
48 |
|
[SO4]A:181 |
1 |
1 |
185 |
f |
[NA]A:180 |
x,y,z |
1_555 |
1 |
1 |
125 |
8.5 |
-1.9 |
0.000 |
0 |
0 |
0 |
0.003 |
| 43 |
49 |
|
[NA]A:180 |
1 |
1 |
125 |
f |
[FE]A:179 |
x,y,z |
1_555 |
1 |
1 |
137 |
8.3 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.003 |
| 44 |
50 |
|
[NA]C:181 |
1 |
1 |
125 |
f |
[FE]C:179 |
x,y,z |
1_555 |
1 |
1 |
137 |
8.1 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.003 |
| 45 |
51 |
|
[SO4]A:181 |
2 |
1 |
185 |
f |
[FE]A:179 |
x,y,z |
1_555 |
1 |
1 |
137 |
4.0 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.001 |
| 46 |
52 |
|
[NA]C:181 |
1 |
1 |
125 |
f |
[NA]C:180 |
x,y,z |
1_555 |
1 |
1 |
125 |
1.4 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.000 |
|