## |
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 |
|
B |
1420 |
357 |
51402 |
◊ |
A |
x,y,z |
1_555 |
1425 |
360 |
51364 |
13436.5 |
-133.0 |
0.021 |
167 |
57 |
0 |
0.560 |
2 |
2 |
|
[HTL]A:2236 |
29 |
1 |
648 |
f |
A |
x,y,z |
1_555 |
70 |
31 |
51364 |
404.3 |
-3.3 |
0.455 |
9 |
0 |
0 |
0.038 |
3 |
|
[HTL]B:3236 |
29 |
1 |
643 |
f |
B |
x,y,z |
1_555 |
72 |
31 |
51402 |
402.9 |
-2.9 |
0.496 |
10 |
0 |
0 |
0.038 |
Average: |
403.6 |
-3.1 |
0.475 |
10 |
0 |
0 |
0.038 |
3 |
4 |
|
A |
50 |
15 |
51364 |
◊ |
B |
-x-1,y-1/2,-z+1/2 |
3_445 |
43 |
13 |
51402 |
385.7 |
-2.5 |
0.566 |
4 |
4 |
0 |
0.000 |
4 |
5 |
|
A |
43 |
16 |
51364 |
◊ |
B |
-x,y-1/2,-z+1/2 |
3_545 |
36 |
11 |
51402 |
315.8 |
-1.5 |
0.629 |
3 |
1 |
0 |
0.000 |
5 |
6 |
|
B |
29 |
12 |
51402 |
x |
B |
-x,y-1/2,-z+1/2 |
3_545 |
42 |
15 |
51402 |
308.1 |
-3.0 |
0.426 |
0 |
2 |
0 |
0.000 |
6 |
7 |
|
A |
27 |
7 |
51364 |
x |
A |
x-1,y,z |
1_455 |
25 |
8 |
51364 |
197.8 |
1.5 |
0.838 |
2 |
2 |
0 |
0.000 |
7 |
8 |
|
[SF4]B:3234 |
8 |
1 |
312 |
f |
B |
x,y,z |
1_555 |
28 |
15 |
51402 |
191.9 |
-21.1 |
0.521 |
0 |
0 |
0 |
0.112 |
9 |
|
[SF4]A:2234 |
8 |
1 |
311 |
f |
A |
x,y,z |
1_555 |
28 |
16 |
51364 |
190.3 |
-21.9 |
0.348 |
0 |
0 |
0 |
0.112 |
Average: |
191.1 |
-21.5 |
0.434 |
0 |
0 |
0 |
0.112 |
8 |
10 |
|
B |
21 |
6 |
51402 |
x |
B |
x-1/2,-y-1/2,-z |
4_445 |
19 |
4 |
51402 |
189.7 |
-1.1 |
0.553 |
2 |
0 |
0 |
0.000 |
9 |
11 |
|
B |
23 |
10 |
51402 |
◊ |
A |
x-1/2,-y-1/2,-z |
4_445 |
24 |
11 |
51364 |
182.3 |
3.6 |
0.948 |
2 |
1 |
0 |
0.000 |
10 |
12 |
|
[SF4]B:3233 |
8 |
1 |
310 |
f |
B |
x,y,z |
1_555 |
22 |
13 |
51402 |
181.6 |
-21.3 |
0.392 |
1 |
0 |
0 |
0.111 |
13 |
|
[SF4]A:2233 |
8 |
1 |
309 |
f |
A |
x,y,z |
1_555 |
24 |
13 |
51364 |
180.5 |
-21.1 |
0.411 |
0 |
0 |
0 |
0.111 |
Average: |
181.0 |
-21.2 |
0.401 |
1 |
0 |
0 |
0.111 |
11 |
14 |
|
[SF4]A:2235 |
8 |
1 |
310 |
f |
A |
x,y,z |
1_555 |
29 |
15 |
51364 |
166.8 |
-18.2 |
0.394 |
0 |
0 |
0 |
0.095 |
15 |
|
[SF4]B:3235 |
8 |
1 |
311 |
f |
B |
x,y,z |
1_555 |
29 |
15 |
51402 |
166.5 |
-18.4 |
0.401 |
0 |
0 |
0 |
0.095 |
Average: |
166.6 |
-18.3 |
0.397 |
0 |
0 |
0 |
0.095 |
12 |
16 |
|
B |
12 |
6 |
51402 |
◊ |
A |
x-1,y,z |
1_455 |
11 |
5 |
51364 |
86.7 |
-0.7 |
0.529 |
0 |
0 |
0 |
0.000 |
13 |
17 |
|
A |
12 |
3 |
51364 |
x |
A |
x-1/2,-y-3/2,-z |
4_435 |
9 |
3 |
51364 |
84.2 |
0.1 |
0.668 |
0 |
0 |
0 |
0.000 |
14 |
18 |
|
[CO2]A:2240 |
3 |
1 |
147 |
f |
A |
x,y,z |
1_555 |
14 |
7 |
51364 |
62.0 |
0.0 |
0.428 |
3 |
0 |
0 |
0.003 |
15 |
19 |
|
[CO2]B:3240 |
3 |
1 |
150 |
f |
B |
x,y,z |
1_555 |
12 |
7 |
51402 |
60.1 |
0.0 |
0.427 |
3 |
0 |
0 |
0.003 |
16 |
20 |
|
B |
5 |
1 |
51402 |
x |
B |
x-1,y,z |
1_455 |
8 |
2 |
51402 |
47.0 |
-0.1 |
0.639 |
0 |
0 |
0 |
0.000 |
17 |
21 |
|
[CO2]B:3240 |
3 |
1 |
150 |
f |
[HTL]B:3236 |
x,y,z |
1_555 |
8 |
1 |
643 |
39.8 |
-0.3 |
0.351 |
0 |
0 |
0 |
0.000 |
18 |
22 |
|
[CO2]A:2240 |
3 |
1 |
147 |
f |
[HTL]A:2236 |
x,y,z |
1_555 |
6 |
1 |
648 |
39.1 |
-0.2 |
0.355 |
0 |
0 |
0 |
0.000 |
19 |
23 |
|
[MG]B:3237 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
12 |
9 |
51402 |
37.4 |
-6.3 |
0.000 |
0 |
0 |
0 |
0.033 |
24 |
|
[MG]A:2237 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
11 |
8 |
51364 |
37.1 |
-6.3 |
0.000 |
0 |
0 |
0 |
0.033 |
Average: |
37.2 |
-6.3 |
0.000 |
0 |
0 |
0 |
0.033 |
20 |
25 |
|
[SF4]B:3235 |
3 |
1 |
311 |
◊ |
A |
x,y,z |
1_555 |
3 |
2 |
51364 |
34.8 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.012 |
26 |
|
[SF4]A:2235 |
3 |
1 |
310 |
◊ |
B |
x,y,z |
1_555 |
3 |
2 |
51402 |
34.1 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.012 |
Average: |
34.4 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.012 |
21 |
27 |
|
A |
2 |
1 |
51364 |
◊ |
B |
-x-1/2,-y-1,z-1/2 |
2_444 |
2 |
1 |
51402 |
30.7 |
1.4 |
0.957 |
0 |
0 |
0 |
0.000 |
22 |
28 |
|
[HTL]A:2236 |
5 |
1 |
648 |
f |
[MG]A:2237 |
x,y,z |
1_555 |
1 |
1 |
98 |
30.7 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.021 |
29 |
|
[HTL]B:3236 |
5 |
1 |
643 |
f |
[MG]B:3237 |
x,y,z |
1_555 |
1 |
1 |
98 |
30.1 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.021 |
Average: |
30.4 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.021 |
23 |
30 |
|
[CO2]A:2240 |
2 |
1 |
147 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
51402 |
23.7 |
-0.4 |
0.223 |
0 |
0 |
0 |
0.001 |
24 |
31 |
|
[CO2]B:3240 |
2 |
1 |
150 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
51364 |
22.7 |
-0.3 |
0.255 |
0 |
0 |
0 |
0.000 |
25 |
32 |
|
[HTL]B:3236 |
2 |
1 |
643 |
◊ |
A |
x,y,z |
1_555 |
3 |
2 |
51364 |
22.1 |
-0.0 |
0.172 |
0 |
0 |
0 |
0.000 |
33 |
|
[HTL]A:2236 |
2 |
1 |
648 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
51402 |
17.8 |
-0.0 |
0.143 |
0 |
0 |
0 |
0.000 |
Average: |
19.9 |
-0.0 |
0.158 |
0 |
0 |
0 |
0.000 |
26 |
34 |
|
[HTL]A:2236 |
4 |
1 |
648 |
f |
[SF4]A:2235 |
x,y,z |
1_555 |
2 |
1 |
310 |
17.8 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.009 |
35 |
|
[HTL]B:3236 |
4 |
1 |
643 |
f |
[SF4]B:3235 |
x,y,z |
1_555 |
2 |
1 |
311 |
17.3 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.009 |
Average: |
17.5 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.009 |
27 |
36 |
|
A |
1 |
1 |
51364 |
◊ |
B |
x-1/2,-y-1/2,-z |
4_445 |
1 |
1 |
51402 |
4.3 |
0.0 |
0.522 |
0 |
0 |
0 |
0.000 |
|