## |
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 |
|
L |
405 |
112 |
21850 |
◊ |
S |
x,y,z |
1_555 |
400 |
100 |
13034 |
3943.8 |
-37.9 |
0.039 |
58 |
9 |
0 |
0.390 |
2 |
|
M |
407 |
111 |
21819 |
◊ |
T |
x,y,z |
1_555 |
398 |
99 |
12932 |
3912.4 |
-39.5 |
0.026 |
59 |
9 |
0 |
0.390 |
Average: |
3928.1 |
-38.7 |
0.032 |
59 |
9 |
0 |
0.390 |
2 |
3 |
|
M |
77 |
18 |
21819 |
◊ |
S |
x,y,z |
1_555 |
94 |
25 |
13034 |
803.5 |
-12.0 |
0.049 |
6 |
1 |
0 |
0.130 |
4 |
|
L |
78 |
18 |
21850 |
◊ |
T |
x,y,z |
1_555 |
96 |
25 |
12932 |
792.3 |
-12.2 |
0.057 |
5 |
1 |
0 |
0.130 |
Average: |
797.9 |
-12.1 |
0.053 |
6 |
1 |
0 |
0.130 |
3 |
5 |
|
T |
72 |
22 |
12932 |
◊ |
S |
x,y,z |
1_555 |
72 |
22 |
13034 |
643.3 |
-0.4 |
0.754 |
9 |
1 |
0 |
0.011 |
4 |
6 |
|
M |
52 |
14 |
21819 |
◊ |
L |
-x+1/2,-y+2,z-1/2 |
2_574 |
51 |
15 |
21850 |
486.8 |
0.1 |
0.679 |
6 |
8 |
0 |
0.000 |
5 |
7 |
|
M |
47 |
13 |
21819 |
◊ |
L |
x,y,z |
1_555 |
47 |
14 |
21850 |
422.7 |
-5.6 |
0.134 |
9 |
0 |
0 |
0.024 |
6 |
8 |
|
[LMT]S:404 |
14 |
1 |
478 |
f |
S |
x,y,z |
1_555 |
43 |
17 |
13034 |
312.9 |
5.8 |
0.233 |
0 |
0 |
0 |
0.000 |
9 |
|
[LMT]T:404 |
14 |
1 |
476 |
f |
T |
x,y,z |
1_555 |
42 |
17 |
12932 |
298.9 |
5.5 |
0.232 |
0 |
0 |
0 |
0.000 |
Average: |
305.9 |
5.7 |
0.233 |
0 |
0 |
0 |
0.000 |
7 |
10 |
|
M |
37 |
12 |
21819 |
◊ |
L |
x-1/2,-y+5/2,-z |
4_475 |
31 |
14 |
21850 |
243.3 |
-0.6 |
0.579 |
1 |
0 |
0 |
0.000 |
8 |
11 |
|
S |
28 |
7 |
13034 |
◊ |
M |
x-1/2,-y+5/2,-z |
4_475 |
29 |
7 |
21819 |
212.3 |
-0.7 |
0.540 |
1 |
0 |
0 |
0.000 |
9 |
12 |
|
[SF4]T:401 |
8 |
1 |
313 |
f |
T |
x,y,z |
1_555 |
25 |
13 |
12932 |
190.3 |
-20.6 |
0.575 |
0 |
0 |
0 |
0.185 |
13 |
|
[SF4]S:401 |
8 |
1 |
311 |
f |
S |
x,y,z |
1_555 |
27 |
13 |
13034 |
190.0 |
-20.6 |
0.570 |
0 |
0 |
0 |
0.185 |
Average: |
190.1 |
-20.6 |
0.572 |
0 |
0 |
0 |
0.185 |
10 |
14 |
|
M |
20 |
8 |
21819 |
◊ |
L |
-x+3/2,-y+2,z-1/2 |
2_674 |
18 |
5 |
21850 |
187.5 |
1.1 |
0.591 |
2 |
0 |
0 |
0.000 |
11 |
15 |
|
[F3S]S:402 |
7 |
1 |
305 |
f |
S |
x,y,z |
1_555 |
31 |
14 |
13034 |
186.6 |
-17.9 |
0.332 |
2 |
0 |
0 |
0.168 |
16 |
|
[F3S]T:402 |
7 |
1 |
304 |
f |
T |
x,y,z |
1_555 |
31 |
14 |
12932 |
185.5 |
-17.9 |
0.352 |
2 |
0 |
0 |
0.168 |
Average: |
186.1 |
-17.9 |
0.342 |
2 |
0 |
0 |
0.168 |
12 |
17 |
|
[SF3]S:403 |
7 |
1 |
324 |
f |
S |
x,y,z |
1_555 |
24 |
16 |
13034 |
172.1 |
-23.0 |
0.248 |
1 |
0 |
0 |
0.209 |
18 |
|
[SF3]T:403 |
7 |
1 |
324 |
f |
T |
x,y,z |
1_555 |
21 |
13 |
12932 |
167.9 |
-22.9 |
0.248 |
1 |
0 |
0 |
0.209 |
Average: |
170.0 |
-23.0 |
0.248 |
1 |
0 |
0 |
0.209 |
13 |
19 |
|
M |
19 |
7 |
21819 |
x |
M |
-x+1,y-1/2,-z-1/2 |
3_644 |
14 |
7 |
21819 |
164.7 |
0.9 |
0.737 |
3 |
0 |
0 |
0.000 |
14 |
20 |
|
[FCO]M:601 |
7 |
1 |
264 |
f |
M |
x,y,z |
1_555 |
16 |
10 |
21819 |
128.2 |
-1.7 |
0.255 |
0 |
0 |
0 |
0.015 |
21 |
|
[FCO]L:602 |
7 |
1 |
264 |
f |
L |
x,y,z |
1_555 |
16 |
11 |
21850 |
127.2 |
-1.7 |
0.273 |
0 |
0 |
0 |
0.015 |
Average: |
127.7 |
-1.7 |
0.264 |
0 |
0 |
0 |
0.015 |
15 |
22 |
|
M |
11 |
5 |
21819 |
◊ |
S |
-x+1/2,-y+2,z-1/2 |
2_574 |
10 |
2 |
13034 |
95.0 |
0.1 |
0.657 |
0 |
0 |
0 |
0.000 |
23 |
|
T |
9 |
2 |
12932 |
◊ |
L |
-x+1/2,-y+2,z-1/2 |
2_574 |
7 |
2 |
21850 |
72.5 |
-0.2 |
0.536 |
0 |
0 |
0 |
0.000 |
Average: |
83.7 |
-0.1 |
0.597 |
0 |
0 |
0 |
0.000 |
16 |
24 |
|
T |
11 |
5 |
12932 |
◊ |
L |
x-1/2,-y+5/2,-z |
4_475 |
8 |
2 |
21850 |
94.4 |
1.2 |
0.820 |
1 |
0 |
0 |
0.000 |
17 |
25 |
|
T |
7 |
1 |
12932 |
◊ |
L |
x-1/2,-y+3/2,-z |
4_465 |
11 |
3 |
21850 |
91.3 |
0.5 |
0.626 |
2 |
3 |
0 |
0.000 |
18 |
26 |
|
[LI]M:605 |
1 |
1 |
130 |
f |
M |
x,y,z |
1_555 |
18 |
8 |
21819 |
85.0 |
-5.3 |
0.000 |
0 |
0 |
0 |
0.043 |
19 |
27 |
|
[CL]S:405 |
1 |
1 |
125 |
f |
S |
x,y,z |
1_555 |
15 |
9 |
13034 |
74.7 |
-11.9 |
0.000 |
0 |
0 |
0 |
0.106 |
28 |
|
[CL]T:405 |
1 |
1 |
125 |
f |
T |
x,y,z |
1_555 |
15 |
9 |
12932 |
74.4 |
-11.8 |
0.000 |
0 |
0 |
0 |
0.106 |
Average: |
74.6 |
-11.8 |
0.000 |
0 |
0 |
0 |
0.106 |
20 |
29 |
|
[SO4]S:406 |
4 |
1 |
187 |
f |
S |
x,y,z |
1_555 |
6 |
3 |
13034 |
71.8 |
-8.2 |
0.960 |
3 |
0 |
0 |
0.077 |
21 |
30 |
|
[SO4]L:601 |
5 |
1 |
186 |
f |
L |
x,y,z |
1_555 |
9 |
4 |
21850 |
69.6 |
-9.9 |
0.664 |
2 |
0 |
0 |
0.097 |
22 |
31 |
|
[SO4]M:604 |
4 |
1 |
186 |
f |
M |
x,y,z |
1_555 |
7 |
5 |
21819 |
57.1 |
-6.1 |
0.935 |
2 |
0 |
0 |
0.057 |
23 |
32 |
|
[MG]L:604 |
1 |
1 |
98 |
f |
L |
x,y,z |
1_555 |
12 |
6 |
21850 |
53.8 |
-9.5 |
0.000 |
0 |
0 |
0 |
0.085 |
33 |
|
[MG]M:603 |
1 |
1 |
98 |
f |
M |
x,y,z |
1_555 |
12 |
6 |
21819 |
53.4 |
-9.5 |
0.000 |
0 |
0 |
0 |
0.085 |
Average: |
53.6 |
-9.5 |
0.000 |
0 |
0 |
0 |
0.085 |
24 |
34 |
|
[SF3]T:403 |
3 |
1 |
324 |
◊ |
M |
x,y,z |
1_555 |
10 |
4 |
21819 |
50.9 |
-4.1 |
0.832 |
0 |
0 |
0 |
0.024 |
35 |
|
[SF3]S:403 |
3 |
1 |
324 |
◊ |
L |
x,y,z |
1_555 |
10 |
4 |
21850 |
50.8 |
-4.1 |
0.832 |
0 |
0 |
0 |
0.024 |
Average: |
50.9 |
-4.1 |
0.832 |
0 |
0 |
0 |
0.024 |
25 |
36 |
|
[SO4]L:601 |
3 |
1 |
186 |
◊ |
S |
x,y,z |
1_555 |
2 |
1 |
13034 |
40.5 |
-3.8 |
0.979 |
2 |
0 |
0 |
0.026 |
26 |
37 |
|
M |
5 |
2 |
21819 |
◊ |
S |
x-1/2,-y+5/2,-z |
4_475 |
6 |
3 |
13034 |
39.3 |
0.2 |
0.660 |
0 |
0 |
0 |
0.000 |
27 |
38 |
|
[SO4]M:604 |
3 |
1 |
186 |
◊ |
S |
-x+1/2,-y+2,z-1/2 |
2_574 |
2 |
1 |
13034 |
35.7 |
-3.4 |
0.977 |
2 |
0 |
0 |
0.000 |
28 |
39 |
|
[F3S]S:402 |
3 |
1 |
305 |
◊ |
L |
x,y,z |
1_555 |
6 |
3 |
21850 |
34.4 |
-1.9 |
0.000 |
0 |
0 |
0 |
0.011 |
40 |
|
[F3S]T:402 |
3 |
1 |
304 |
◊ |
M |
x,y,z |
1_555 |
6 |
3 |
21819 |
34.0 |
-1.9 |
0.000 |
0 |
0 |
0 |
0.011 |
Average: |
34.2 |
-1.9 |
0.000 |
0 |
0 |
0 |
0.011 |
29 |
41 |
|
[NI]L:603 |
1 |
1 |
115 |
f |
[FCO]L:602 |
x,y,z |
1_555 |
3 |
1 |
264 |
33.0 |
-6.1 |
0.000 |
0 |
0 |
0 |
0.055 |
42 |
|
[NI]M:602 |
1 |
1 |
115 |
f |
[FCO]M:601 |
x,y,z |
1_555 |
3 |
1 |
264 |
33.0 |
-6.1 |
0.000 |
0 |
0 |
0 |
0.055 |
Average: |
33.0 |
-6.1 |
0.000 |
0 |
0 |
0 |
0.055 |
30 |
43 |
|
L |
3 |
1 |
21850 |
◊ |
T |
x-1/2,-y+3/2,-z |
4_465 |
3 |
1 |
12932 |
27.4 |
-0.1 |
0.397 |
0 |
0 |
0 |
0.000 |
31 |
44 |
|
L |
4 |
3 |
21850 |
◊ |
M |
x-1/2,-y+3/2,-z |
4_465 |
3 |
3 |
21819 |
12.4 |
-0.2 |
0.526 |
0 |
0 |
0 |
0.000 |
32 |
45 |
|
L |
1 |
1 |
21850 |
x |
L |
-x+1,y-1/2,-z+1/2 |
3_645 |
2 |
2 |
21850 |
4.5 |
-0.0 |
0.472 |
0 |
0 |
0 |
0.000 |
33 |
46 |
|
T |
1 |
1 |
12932 |
◊ |
M |
-x+1,y-1/2,-z-1/2 |
3_644 |
1 |
1 |
21819 |
1.0 |
0.0 |
0.709 |
0 |
0 |
0 |
0.000 |
|