## |
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 |
253 |
63 |
23539 |
◊ |
A |
x,y,z |
1_555 |
253 |
62 |
23584 |
2384.8 |
-33.4 |
0.015 |
33 |
6 |
0 |
0.454 |
2 |
2 |
|
B |
207 |
52 |
14133 |
◊ |
C |
x,y,z |
1_555 |
239 |
68 |
23539 |
2172.3 |
-30.8 |
0.030 |
19 |
5 |
0 |
0.372 |
3 |
|
D |
208 |
53 |
14059 |
◊ |
A |
x,y,z |
1_555 |
232 |
67 |
23584 |
2171.1 |
-32.9 |
0.018 |
23 |
4 |
0 |
0.372 |
Average: |
2171.7 |
-31.9 |
0.024 |
21 |
5 |
0 |
0.372 |
3 |
4 |
|
D |
129 |
36 |
14059 |
◊ |
B |
x,y,z |
1_555 |
133 |
35 |
14133 |
1281.6 |
-15.6 |
0.230 |
7 |
1 |
0 |
0.176 |
4 |
5 |
|
D |
103 |
34 |
14059 |
◊ |
C |
x,y,z |
1_555 |
96 |
28 |
23539 |
883.1 |
-10.8 |
0.183 |
7 |
3 |
0 |
0.140 |
6 |
|
B |
98 |
33 |
14133 |
◊ |
A |
x,y,z |
1_555 |
94 |
28 |
23584 |
861.2 |
-11.3 |
0.164 |
7 |
0 |
0 |
0.140 |
Average: |
872.2 |
-11.1 |
0.174 |
7 |
2 |
0 |
0.140 |
5 |
7 |
|
A |
35 |
13 |
23584 |
x |
A |
x-1,y,z |
1_455 |
31 |
12 |
23584 |
294.8 |
-3.8 |
0.286 |
0 |
0 |
0 |
0.000 |
8 |
|
C |
27 |
12 |
23539 |
x |
C |
x-1,y,z |
1_455 |
22 |
9 |
23539 |
224.8 |
-2.8 |
0.312 |
2 |
0 |
0 |
0.000 |
Average: |
259.8 |
-3.3 |
0.299 |
1 |
0 |
0 |
0.000 |
6 |
9 |
|
[TPP]B:402 |
26 |
1 |
598 |
f |
B |
x,y,z |
1_555 |
50 |
20 |
14133 |
276.8 |
-7.9 |
0.436 |
9 |
0 |
0 |
0.220 |
10 |
|
[TPP]D:402 |
26 |
1 |
598 |
f |
D |
x,y,z |
1_555 |
47 |
19 |
14059 |
273.0 |
-7.8 |
0.428 |
9 |
0 |
0 |
0.220 |
Average: |
274.9 |
-7.8 |
0.432 |
9 |
0 |
0 |
0.220 |
7 |
11 |
|
[SF4]B:401 |
8 |
1 |
308 |
f |
B |
x,y,z |
1_555 |
25 |
13 |
14133 |
165.4 |
-18.5 |
0.267 |
2 |
0 |
0 |
0.360 |
12 |
|
[SF4]D:401 |
8 |
1 |
309 |
f |
D |
x,y,z |
1_555 |
25 |
14 |
14059 |
164.5 |
-18.3 |
0.278 |
2 |
0 |
0 |
0.360 |
Average: |
164.9 |
-18.4 |
0.273 |
2 |
0 |
0 |
0.360 |
8 |
13 |
|
D |
23 |
9 |
14059 |
◊ |
A |
x-1,y,z |
1_455 |
22 |
8 |
23584 |
155.7 |
0.4 |
0.722 |
1 |
1 |
0 |
0.000 |
9 |
14 |
|
[TPP]D:402 |
12 |
1 |
598 |
◊ |
C |
x,y,z |
1_555 |
26 |
10 |
23539 |
134.3 |
0.8 |
0.657 |
0 |
0 |
0 |
0.000 |
15 |
|
[TPP]B:402 |
12 |
1 |
598 |
◊ |
A |
x,y,z |
1_555 |
24 |
10 |
23584 |
132.0 |
0.7 |
0.652 |
0 |
0 |
0 |
0.000 |
Average: |
133.2 |
0.7 |
0.655 |
0 |
0 |
0 |
0.000 |
10 |
16 |
|
C |
15 |
10 |
23539 |
x |
C |
x-1/2,-y+5/2,-z |
4_475 |
18 |
6 |
23539 |
105.5 |
-0.2 |
0.648 |
0 |
0 |
0 |
0.000 |
11 |
17 |
|
[SO4]A:602 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
17 |
9 |
23584 |
96.1 |
-16.2 |
0.711 |
5 |
0 |
0 |
0.179 |
12 |
18 |
|
[SO4]C:602 |
5 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
15 |
8 |
23539 |
94.7 |
-15.7 |
0.684 |
6 |
0 |
0 |
0.179 |
13 |
19 |
|
[SO4]A:601 |
5 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
11 |
5 |
23584 |
65.5 |
-9.3 |
0.787 |
4 |
0 |
0 |
0.108 |
14 |
20 |
|
[SO4]C:601 |
5 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
10 |
5 |
23539 |
64.1 |
-9.1 |
0.786 |
4 |
0 |
0 |
0.106 |
15 |
21 |
|
[SO4]C:601 |
4 |
1 |
185 |
◊ |
D |
x,y,z |
1_555 |
6 |
3 |
14059 |
54.9 |
-7.6 |
0.430 |
0 |
0 |
0 |
0.074 |
16 |
22 |
|
[SO4]A:601 |
4 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
6 |
3 |
14133 |
51.2 |
-7.0 |
0.444 |
0 |
0 |
0 |
0.068 |
17 |
23 |
|
[SF4]D:401 |
4 |
1 |
309 |
◊ |
C |
x,y,z |
1_555 |
6 |
2 |
23539 |
47.5 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.036 |
24 |
|
[SF4]B:401 |
4 |
1 |
308 |
◊ |
A |
x,y,z |
1_555 |
6 |
2 |
23584 |
46.9 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.036 |
Average: |
47.2 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.036 |
18 |
25 |
|
C |
6 |
3 |
23539 |
◊ |
B |
x-1,y,z |
1_455 |
4 |
2 |
14133 |
44.6 |
0.4 |
0.696 |
0 |
1 |
0 |
0.000 |
19 |
26 |
|
[TPP]B:402 |
7 |
1 |
598 |
◊ |
[SO4]A:601 |
x,y,z |
1_555 |
4 |
1 |
184 |
39.8 |
-4.2 |
0.919 |
1 |
0 |
0 |
0.045 |
20 |
27 |
|
[TPP]D:402 |
7 |
1 |
598 |
◊ |
[SO4]C:601 |
x,y,z |
1_555 |
4 |
1 |
185 |
38.8 |
-4.0 |
0.919 |
1 |
0 |
0 |
0.044 |
21 |
28 |
|
[MG]B:403 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
10 |
7 |
14133 |
36.5 |
-6.1 |
0.000 |
0 |
0 |
0 |
0.114 |
29 |
|
[MG]D:403 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
10 |
7 |
14059 |
35.9 |
-6.1 |
0.000 |
0 |
0 |
0 |
0.114 |
Average: |
36.2 |
-6.1 |
0.000 |
0 |
0 |
0 |
0.114 |
22 |
30 |
|
[MG]B:403 |
1 |
1 |
98 |
f |
[TPP]B:402 |
x,y,z |
1_555 |
4 |
1 |
598 |
30.0 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.090 |
31 |
|
[MG]D:403 |
1 |
1 |
98 |
f |
[TPP]D:402 |
x,y,z |
1_555 |
4 |
1 |
598 |
29.7 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.090 |
Average: |
29.8 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.090 |
23 |
32 |
|
[TPP]D:402 |
2 |
1 |
598 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
23584 |
23.9 |
-0.1 |
0.622 |
0 |
0 |
0 |
0.001 |
33 |
|
[TPP]B:402 |
2 |
1 |
598 |
◊ |
C |
x,y,z |
1_555 |
3 |
1 |
23539 |
23.1 |
-0.1 |
0.621 |
0 |
0 |
0 |
0.001 |
Average: |
23.5 |
-0.1 |
0.622 |
0 |
0 |
0 |
0.001 |
24 |
34 |
|
[TPP]B:402 |
4 |
1 |
598 |
f |
[SF4]B:401 |
x,y,z |
1_555 |
2 |
1 |
308 |
21.7 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.039 |
35 |
|
[TPP]D:402 |
4 |
1 |
598 |
f |
[SF4]D:401 |
x,y,z |
1_555 |
2 |
1 |
309 |
21.7 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.039 |
Average: |
21.7 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.039 |
25 |
36 |
|
D |
1 |
1 |
14059 |
◊ |
B |
x-1/2,-y+3/2,-z |
4_465 |
2 |
1 |
14133 |
14.2 |
0.4 |
0.852 |
0 |
0 |
0 |
0.000 |
26 |
37 |
|
C |
1 |
1 |
23539 |
◊ |
A |
x-1,y,z |
1_455 |
2 |
1 |
23584 |
10.0 |
0.3 |
0.726 |
0 |
0 |
0 |
0.000 |
|