## |
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 |
|
S |
397 |
101 |
12828 |
◊ |
L |
x,y,z |
1_555 |
403 |
113 |
21376 |
3885.6 |
-36.4 |
0.032 |
59 |
8 |
0 |
0.372 |
2 |
|
T |
399 |
102 |
12745 |
◊ |
M |
x,y,z |
1_555 |
406 |
109 |
21287 |
3865.8 |
-37.8 |
0.028 |
59 |
8 |
0 |
0.372 |
Average: |
3875.7 |
-37.1 |
0.030 |
59 |
8 |
0 |
0.372 |
2 |
3 |
|
S |
91 |
23 |
12828 |
◊ |
M |
x,y,z |
1_555 |
76 |
19 |
21287 |
790.8 |
-12.4 |
0.036 |
5 |
1 |
0 |
0.126 |
4 |
|
T |
89 |
22 |
12745 |
◊ |
L |
x,y,z |
1_555 |
77 |
18 |
21376 |
787.2 |
-12.3 |
0.041 |
5 |
1 |
0 |
0.126 |
Average: |
789.0 |
-12.4 |
0.038 |
5 |
1 |
0 |
0.126 |
3 |
5 |
|
T |
71 |
22 |
12745 |
◊ |
S |
x,y,z |
1_555 |
72 |
22 |
12828 |
633.5 |
-0.6 |
0.722 |
10 |
0 |
0 |
0.012 |
4 |
6 |
|
L |
54 |
16 |
21376 |
◊ |
M |
-x-1/2,-y,z-1/2 |
2_454 |
57 |
18 |
21287 |
515.8 |
1.4 |
0.766 |
9 |
9 |
0 |
0.000 |
5 |
7 |
|
M |
46 |
13 |
21287 |
◊ |
L |
x,y,z |
1_555 |
45 |
13 |
21376 |
409.9 |
-6.1 |
0.093 |
9 |
0 |
0 |
0.025 |
6 |
8 |
|
[LMT]S:404 |
14 |
1 |
475 |
f |
S |
x,y,z |
1_555 |
40 |
17 |
12828 |
309.4 |
6.2 |
0.261 |
0 |
0 |
0 |
0.000 |
9 |
|
[LMT]T:404 |
14 |
1 |
475 |
f |
T |
x,y,z |
1_555 |
42 |
17 |
12745 |
302.8 |
6.1 |
0.265 |
0 |
0 |
0 |
0.000 |
Average: |
306.1 |
6.1 |
0.263 |
0 |
0 |
0 |
0.000 |
7 |
10 |
|
M |
41 |
14 |
21287 |
◊ |
L |
x-1/2,-y-1/2,-z |
4_445 |
32 |
14 |
21376 |
274.9 |
-0.8 |
0.501 |
1 |
0 |
0 |
0.000 |
8 |
11 |
|
S |
27 |
7 |
12828 |
◊ |
M |
x-1/2,-y-1/2,-z |
4_445 |
29 |
7 |
21287 |
221.7 |
-0.4 |
0.546 |
2 |
0 |
0 |
0.000 |
9 |
12 |
|
L |
18 |
5 |
21376 |
◊ |
M |
-x+1/2,-y,z-1/2 |
2_554 |
19 |
7 |
21287 |
186.3 |
1.1 |
0.583 |
2 |
0 |
0 |
0.000 |
10 |
13 |
|
[SF4]T:401 |
8 |
1 |
310 |
f |
T |
x,y,z |
1_555 |
23 |
13 |
12745 |
185.1 |
-20.3 |
0.434 |
0 |
0 |
0 |
0.172 |
14 |
|
[SF4]S:401 |
8 |
1 |
309 |
f |
S |
x,y,z |
1_555 |
23 |
13 |
12828 |
184.4 |
-20.3 |
0.573 |
0 |
0 |
0 |
0.172 |
Average: |
184.7 |
-20.3 |
0.504 |
0 |
0 |
0 |
0.172 |
11 |
15 |
|
[F3S]S:402 |
7 |
1 |
304 |
f |
S |
x,y,z |
1_555 |
30 |
14 |
12828 |
180.6 |
-17.5 |
0.328 |
2 |
0 |
0 |
0.157 |
16 |
|
[F3S]T:402 |
7 |
1 |
303 |
f |
T |
x,y,z |
1_555 |
30 |
14 |
12745 |
179.7 |
-17.5 |
0.368 |
2 |
0 |
0 |
0.157 |
Average: |
180.1 |
-17.5 |
0.348 |
2 |
0 |
0 |
0.157 |
12 |
17 |
|
M |
16 |
7 |
21287 |
x |
M |
-x,y-1/2,-z+1/2 |
3_545 |
19 |
6 |
21287 |
165.8 |
0.9 |
0.737 |
4 |
0 |
0 |
0.000 |
13 |
18 |
|
[SF3]T:403 |
7 |
1 |
311 |
f |
T |
x,y,z |
1_555 |
23 |
14 |
12745 |
159.6 |
-21.1 |
0.311 |
2 |
0 |
0 |
0.190 |
19 |
|
[SF3]S:403 |
7 |
1 |
314 |
f |
S |
x,y,z |
1_555 |
23 |
14 |
12828 |
159.4 |
-21.4 |
0.277 |
2 |
0 |
0 |
0.190 |
Average: |
159.5 |
-21.3 |
0.294 |
2 |
0 |
0 |
0.190 |
14 |
20 |
|
[FCO]M:601 |
7 |
1 |
262 |
f |
M |
x,y,z |
1_555 |
15 |
10 |
21287 |
125.4 |
-1.7 |
0.258 |
0 |
0 |
0 |
0.014 |
21 |
|
[FCO]L:601 |
7 |
1 |
263 |
f |
L |
x,y,z |
1_555 |
16 |
10 |
21376 |
124.7 |
-1.6 |
0.280 |
0 |
0 |
0 |
0.014 |
Average: |
125.1 |
-1.6 |
0.269 |
0 |
0 |
0 |
0.014 |
15 |
22 |
|
T |
14 |
5 |
12745 |
◊ |
L |
x-1/2,-y-1/2,-z |
4_445 |
9 |
3 |
21376 |
125.4 |
2.4 |
0.862 |
2 |
2 |
0 |
0.000 |
16 |
23 |
|
S |
10 |
2 |
12828 |
◊ |
M |
-x-1/2,-y,z-1/2 |
2_454 |
11 |
5 |
21287 |
94.6 |
0.1 |
0.654 |
0 |
0 |
0 |
0.000 |
24 |
|
L |
7 |
2 |
21376 |
◊ |
T |
-x-1/2,-y,z-1/2 |
2_454 |
9 |
2 |
12745 |
74.4 |
-0.0 |
0.550 |
0 |
0 |
0 |
0.000 |
Average: |
84.5 |
0.0 |
0.602 |
0 |
0 |
0 |
0.000 |
17 |
25 |
|
[CL]S:405 |
1 |
1 |
125 |
f |
S |
x,y,z |
1_555 |
15 |
9 |
12828 |
73.9 |
-11.9 |
0.000 |
0 |
0 |
0 |
0.102 |
26 |
|
[CL]T:405 |
1 |
1 |
125 |
f |
T |
x,y,z |
1_555 |
15 |
9 |
12745 |
73.9 |
-11.9 |
0.000 |
0 |
0 |
0 |
0.102 |
Average: |
73.9 |
-11.9 |
0.000 |
0 |
0 |
0 |
0.102 |
18 |
27 |
|
[CL]S:406 |
1 |
1 |
125 |
f |
S |
x,y,z |
1_555 |
16 |
7 |
12828 |
70.8 |
-11.1 |
0.000 |
0 |
0 |
0 |
0.094 |
28 |
|
[CL]T:406 |
1 |
1 |
125 |
f |
T |
x,y,z |
1_555 |
15 |
7 |
12745 |
70.4 |
-11.2 |
0.000 |
0 |
0 |
0 |
0.094 |
Average: |
70.6 |
-11.1 |
0.000 |
0 |
0 |
0 |
0.094 |
19 |
29 |
|
[SO4]S:407 |
5 |
1 |
188 |
f |
L |
x,y,z |
1_555 |
10 |
4 |
21376 |
69.6 |
-9.8 |
0.654 |
2 |
0 |
0 |
0.089 |
20 |
30 |
|
[SO4]M:604 |
4 |
1 |
187 |
f |
M |
x,y,z |
1_555 |
7 |
4 |
21287 |
57.8 |
-6.6 |
0.925 |
2 |
0 |
0 |
0.064 |
21 |
31 |
|
[SF3]S:403 |
3 |
1 |
314 |
◊ |
L |
x,y,z |
1_555 |
9 |
4 |
21376 |
52.1 |
-4.2 |
0.859 |
0 |
0 |
0 |
0.024 |
32 |
|
[SF3]T:403 |
4 |
1 |
311 |
◊ |
M |
x,y,z |
1_555 |
10 |
4 |
21287 |
51.8 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.024 |
Average: |
52.0 |
-4.2 |
0.430 |
0 |
0 |
0 |
0.024 |
22 |
33 |
|
[MG]L:603 |
1 |
1 |
98 |
f |
L |
x,y,z |
1_555 |
9 |
6 |
21376 |
52.0 |
-9.6 |
0.000 |
0 |
0 |
0 |
0.082 |
34 |
|
[MG]M:603 |
1 |
1 |
98 |
f |
M |
x,y,z |
1_555 |
10 |
6 |
21287 |
51.7 |
-9.6 |
0.000 |
0 |
0 |
0 |
0.082 |
Average: |
51.8 |
-9.6 |
0.000 |
0 |
0 |
0 |
0.082 |
23 |
35 |
|
T |
4 |
1 |
12745 |
◊ |
L |
x-1/2,-y+1/2,-z |
4_455 |
2 |
2 |
21376 |
44.5 |
-0.5 |
0.252 |
0 |
0 |
0 |
0.000 |
24 |
36 |
|
[SO4]S:407 |
3 |
1 |
188 |
◊ |
S |
x,y,z |
1_555 |
3 |
2 |
12828 |
42.1 |
-3.9 |
0.971 |
2 |
0 |
0 |
0.026 |
25 |
37 |
|
S |
2 |
1 |
12828 |
◊ |
[SO4]M:604 |
-x-1/2,-y,z-1/2 |
2_454 |
3 |
1 |
187 |
37.0 |
-3.4 |
0.976 |
2 |
0 |
0 |
0.000 |
26 |
38 |
|
[F3S]T:402 |
3 |
1 |
303 |
◊ |
M |
x,y,z |
1_555 |
6 |
3 |
21287 |
36.7 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.012 |
39 |
|
[F3S]S:402 |
3 |
1 |
304 |
◊ |
L |
x,y,z |
1_555 |
6 |
3 |
21376 |
36.3 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.012 |
Average: |
36.5 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.012 |
27 |
40 |
|
M |
4 |
2 |
21287 |
◊ |
S |
x-1/2,-y-1/2,-z |
4_445 |
6 |
3 |
12828 |
35.8 |
0.1 |
0.640 |
0 |
0 |
0 |
0.000 |
28 |
41 |
|
[NI]M:602 |
1 |
1 |
115 |
f |
[FCO]M:601 |
x,y,z |
1_555 |
3 |
1 |
262 |
33.0 |
-6.1 |
0.000 |
0 |
0 |
0 |
0.052 |
42 |
|
[NI]L:602 |
1 |
1 |
115 |
f |
[FCO]L:601 |
x,y,z |
1_555 |
3 |
1 |
263 |
33.0 |
-6.1 |
0.000 |
0 |
0 |
0 |
0.052 |
Average: |
33.0 |
-6.1 |
0.000 |
0 |
0 |
0 |
0.052 |
29 |
43 |
|
L |
1 |
1 |
21376 |
◊ |
T |
x-1/2,-y+1/2,-z |
4_455 |
3 |
1 |
12745 |
28.2 |
-0.2 |
0.177 |
0 |
0 |
0 |
0.000 |
30 |
44 |
|
L |
4 |
3 |
21376 |
◊ |
M |
x-1/2,-y+1/2,-z |
4_455 |
4 |
3 |
21287 |
15.1 |
-0.0 |
0.573 |
0 |
0 |
0 |
0.000 |
31 |
45 |
|
[CL]S:406 |
1 |
1 |
125 |
◊ |
L |
x,y,z |
1_555 |
1 |
1 |
21376 |
12.3 |
-1.4 |
0.000 |
0 |
0 |
0 |
0.008 |
46 |
|
[CL]T:406 |
1 |
1 |
125 |
◊ |
M |
x,y,z |
1_555 |
1 |
1 |
21287 |
11.9 |
-1.3 |
0.000 |
0 |
0 |
0 |
0.008 |
Average: |
12.1 |
-1.4 |
0.000 |
0 |
0 |
0 |
0.008 |
32 |
47 |
|
M |
2 |
2 |
21287 |
◊ |
T |
-x,y-1/2,-z+1/2 |
3_545 |
2 |
2 |
12745 |
4.0 |
0.1 |
0.735 |
0 |
0 |
0 |
0.000 |
33 |
48 |
|
L |
2 |
2 |
21376 |
x |
L |
-x,y-1/2,-z-1/2 |
3_544 |
2 |
2 |
21376 |
2.4 |
-0.1 |
0.521 |
0 |
0 |
0 |
0.000 |
|