## |
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 |
12881 |
◊ |
L |
x,y,z |
1_555 |
408 |
112 |
21212 |
3883.7 |
-36.8 |
0.033 |
59 |
8 |
0 |
0.342 |
2 |
|
T |
392 |
102 |
12849 |
◊ |
M |
x,y,z |
1_555 |
411 |
110 |
21185 |
3880.5 |
-37.9 |
0.028 |
60 |
8 |
0 |
0.342 |
Average: |
3882.1 |
-37.3 |
0.030 |
60 |
8 |
0 |
0.342 |
2 |
3 |
|
S |
90 |
24 |
12881 |
◊ |
M |
x,y,z |
1_555 |
77 |
19 |
21185 |
793.3 |
-12.6 |
0.034 |
5 |
1 |
0 |
0.112 |
4 |
|
T |
92 |
23 |
12849 |
◊ |
L |
x,y,z |
1_555 |
75 |
19 |
21212 |
789.8 |
-12.5 |
0.039 |
5 |
1 |
0 |
0.112 |
Average: |
791.5 |
-12.5 |
0.036 |
5 |
1 |
0 |
0.112 |
3 |
5 |
|
T |
72 |
22 |
12849 |
◊ |
S |
x,y,z |
1_555 |
73 |
22 |
12881 |
634.9 |
-0.4 |
0.739 |
9 |
0 |
0 |
0.010 |
4 |
6 |
|
L |
51 |
15 |
21212 |
◊ |
M |
-x-1/2,-y,z-1/2 |
2_454 |
57 |
18 |
21185 |
511.5 |
1.5 |
0.770 |
8 |
9 |
0 |
0.000 |
5 |
7 |
|
M |
45 |
13 |
21185 |
◊ |
L |
x,y,z |
1_555 |
45 |
13 |
21212 |
409.4 |
-6.1 |
0.090 |
10 |
0 |
0 |
0.024 |
6 |
8 |
|
M |
38 |
14 |
21185 |
◊ |
L |
x-1/2,-y-1/2,-z |
4_445 |
32 |
14 |
21212 |
256.2 |
-1.4 |
0.464 |
0 |
0 |
0 |
0.000 |
7 |
9 |
|
S |
27 |
7 |
12881 |
◊ |
M |
x-1/2,-y-1/2,-z |
4_445 |
29 |
7 |
21185 |
213.2 |
-0.7 |
0.533 |
0 |
0 |
0 |
0.000 |
8 |
10 |
|
L |
19 |
5 |
21212 |
◊ |
M |
-x+1/2,-y,z-1/2 |
2_554 |
19 |
7 |
21185 |
187.0 |
1.2 |
0.601 |
2 |
0 |
0 |
0.000 |
9 |
11 |
|
[SF4]T:401 |
8 |
1 |
307 |
f |
T |
x,y,z |
1_555 |
22 |
13 |
12849 |
183.3 |
-20.2 |
0.582 |
0 |
0 |
0 |
0.151 |
12 |
|
[SF4]S:401 |
8 |
1 |
306 |
f |
S |
x,y,z |
1_555 |
22 |
12 |
12881 |
182.2 |
-20.1 |
0.579 |
0 |
0 |
0 |
0.151 |
Average: |
182.7 |
-20.2 |
0.581 |
0 |
0 |
0 |
0.151 |
10 |
13 |
|
[F3S]S:402 |
7 |
1 |
304 |
f |
S |
x,y,z |
1_555 |
31 |
14 |
12881 |
181.0 |
-17.6 |
0.340 |
2 |
0 |
0 |
0.138 |
14 |
|
[F3S]T:402 |
7 |
1 |
301 |
f |
T |
x,y,z |
1_555 |
30 |
14 |
12849 |
178.6 |
-17.4 |
0.361 |
2 |
0 |
0 |
0.138 |
Average: |
179.8 |
-17.5 |
0.350 |
2 |
0 |
0 |
0.138 |
11 |
15 |
|
[SF3]S:403 |
7 |
1 |
327 |
f |
S |
x,y,z |
1_555 |
23 |
15 |
12881 |
166.8 |
-22.9 |
0.268 |
1 |
0 |
0 |
0.175 |
16 |
|
[SF3]T:403 |
7 |
1 |
325 |
f |
T |
x,y,z |
1_555 |
21 |
14 |
12849 |
164.9 |
-22.4 |
0.304 |
1 |
0 |
0 |
0.175 |
Average: |
165.8 |
-22.6 |
0.286 |
1 |
0 |
0 |
0.175 |
12 |
17 |
|
[NFV]M:601 |
9 |
1 |
309 |
f |
M |
x,y,z |
1_555 |
17 |
11 |
21185 |
163.7 |
-5.9 |
0.255 |
0 |
0 |
0 |
0.044 |
18 |
|
[NFV]L:601 |
9 |
1 |
307 |
f |
L |
x,y,z |
1_555 |
16 |
11 |
21212 |
162.1 |
-5.9 |
0.246 |
0 |
0 |
0 |
0.044 |
Average: |
162.9 |
-5.9 |
0.251 |
0 |
0 |
0 |
0.044 |
13 |
19 |
|
M |
14 |
7 |
21185 |
x |
M |
-x,y-1/2,-z+1/2 |
3_545 |
19 |
6 |
21185 |
163.3 |
0.9 |
0.740 |
3 |
0 |
0 |
0.000 |
14 |
20 |
|
T |
14 |
5 |
12849 |
◊ |
L |
x-1/2,-y-1/2,-z |
4_445 |
10 |
3 |
21212 |
122.8 |
2.5 |
0.854 |
2 |
2 |
0 |
0.000 |
15 |
21 |
|
S |
10 |
2 |
12881 |
◊ |
M |
-x-1/2,-y,z-1/2 |
2_454 |
11 |
5 |
21185 |
94.7 |
0.1 |
0.643 |
0 |
0 |
0 |
0.000 |
22 |
|
L |
7 |
2 |
21212 |
◊ |
T |
-x-1/2,-y,z-1/2 |
2_454 |
7 |
2 |
12849 |
70.9 |
-0.3 |
0.411 |
0 |
0 |
0 |
0.000 |
Average: |
82.8 |
-0.1 |
0.527 |
0 |
0 |
0 |
0.000 |
16 |
23 |
|
[CL]S:405 |
1 |
1 |
125 |
f |
S |
x,y,z |
1_555 |
14 |
9 |
12881 |
73.5 |
-11.9 |
0.000 |
0 |
0 |
0 |
0.089 |
24 |
|
[CL]T:405 |
1 |
1 |
125 |
f |
T |
x,y,z |
1_555 |
15 |
9 |
12849 |
73.3 |
-11.9 |
0.000 |
0 |
0 |
0 |
0.089 |
Average: |
73.4 |
-11.9 |
0.000 |
0 |
0 |
0 |
0.089 |
17 |
25 |
|
[SO4]T:409 |
4 |
1 |
187 |
f |
T |
x,y,z |
1_555 |
7 |
3 |
12849 |
70.6 |
-7.7 |
0.957 |
3 |
0 |
0 |
0.068 |
18 |
26 |
|
[CL]T:406 |
1 |
1 |
125 |
f |
T |
x,y,z |
1_555 |
16 |
8 |
12849 |
70.3 |
-11.2 |
0.000 |
0 |
0 |
0 |
0.083 |
27 |
|
[CL]S:406 |
1 |
1 |
125 |
f |
S |
x,y,z |
1_555 |
16 |
7 |
12881 |
70.2 |
-11.1 |
0.000 |
0 |
0 |
0 |
0.083 |
Average: |
70.2 |
-11.1 |
0.000 |
0 |
0 |
0 |
0.083 |
19 |
28 |
|
[SO4]S:407 |
5 |
1 |
188 |
f |
L |
x,y,z |
1_555 |
9 |
4 |
21212 |
69.5 |
-9.6 |
0.638 |
2 |
0 |
0 |
0.078 |
20 |
29 |
|
[SO4]T:408 |
5 |
1 |
188 |
f |
M |
x,y,z |
1_555 |
10 |
4 |
21185 |
67.3 |
-9.5 |
0.668 |
2 |
0 |
0 |
0.078 |
21 |
30 |
|
[SO4]M:604 |
4 |
1 |
187 |
f |
M |
x,y,z |
1_555 |
7 |
4 |
21185 |
58.0 |
-6.3 |
0.933 |
3 |
0 |
0 |
0.058 |
22 |
31 |
|
[SF3]T:403 |
3 |
1 |
325 |
◊ |
M |
x,y,z |
1_555 |
9 |
4 |
21185 |
52.3 |
-4.3 |
0.833 |
0 |
0 |
0 |
0.023 |
32 |
|
[SF3]S:403 |
3 |
1 |
327 |
◊ |
L |
x,y,z |
1_555 |
10 |
4 |
21212 |
52.1 |
-4.3 |
0.830 |
0 |
0 |
0 |
0.023 |
Average: |
52.2 |
-4.3 |
0.832 |
0 |
0 |
0 |
0.023 |
23 |
33 |
|
[MG]L:603 |
1 |
1 |
98 |
f |
L |
x,y,z |
1_555 |
10 |
6 |
21212 |
52.0 |
-9.6 |
0.000 |
0 |
0 |
0 |
0.072 |
34 |
|
[MG]M:603 |
1 |
1 |
98 |
f |
M |
x,y,z |
1_555 |
10 |
6 |
21185 |
51.6 |
-9.6 |
0.000 |
0 |
0 |
0 |
0.072 |
Average: |
51.8 |
-9.6 |
0.000 |
0 |
0 |
0 |
0.072 |
24 |
35 |
|
T |
5 |
1 |
12849 |
◊ |
L |
x-1/2,-y+1/2,-z |
4_455 |
3 |
2 |
21212 |
46.4 |
-0.6 |
0.270 |
0 |
0 |
0 |
0.000 |
25 |
36 |
|
[SO4]T:408 |
4 |
1 |
188 |
◊ |
L |
x-1/2,-y-1/2,-z |
4_445 |
6 |
4 |
21212 |
44.2 |
-4.4 |
0.926 |
0 |
0 |
0 |
0.000 |
26 |
37 |
|
[SO4]T:408 |
3 |
1 |
188 |
◊ |
T |
x,y,z |
1_555 |
2 |
1 |
12849 |
43.0 |
-4.1 |
0.979 |
2 |
0 |
0 |
0.024 |
27 |
38 |
|
[SO4]S:407 |
3 |
1 |
188 |
◊ |
S |
x,y,z |
1_555 |
3 |
2 |
12881 |
42.3 |
-3.7 |
0.971 |
2 |
0 |
0 |
0.025 |
28 |
39 |
|
[F3S]T:402 |
4 |
1 |
301 |
◊ |
M |
x,y,z |
1_555 |
6 |
3 |
21185 |
36.9 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.011 |
40 |
|
[F3S]S:402 |
3 |
1 |
304 |
◊ |
L |
x,y,z |
1_555 |
6 |
3 |
21212 |
36.1 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.011 |
Average: |
36.5 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.011 |
29 |
41 |
|
M |
4 |
2 |
21185 |
◊ |
S |
x-1/2,-y-1/2,-z |
4_445 |
6 |
3 |
12881 |
36.4 |
0.1 |
0.614 |
0 |
0 |
0 |
0.000 |
30 |
42 |
|
S |
2 |
1 |
12881 |
◊ |
[SO4]M:604 |
-x-1/2,-y,z-1/2 |
2_454 |
4 |
1 |
187 |
35.4 |
-3.1 |
0.977 |
1 |
0 |
0 |
0.000 |
31 |
43 |
|
L |
1 |
1 |
21212 |
◊ |
T |
x-1/2,-y+1/2,-z |
4_455 |
3 |
1 |
12849 |
27.1 |
-0.1 |
0.189 |
0 |
0 |
0 |
0.000 |
32 |
44 |
|
L |
3 |
2 |
21212 |
◊ |
M |
x-1/2,-y+1/2,-z |
4_455 |
3 |
2 |
21185 |
15.0 |
-0.0 |
0.541 |
0 |
0 |
0 |
0.000 |
33 |
45 |
|
[CL]S:406 |
1 |
1 |
125 |
◊ |
L |
x,y,z |
1_555 |
1 |
1 |
21212 |
12.1 |
-1.4 |
0.000 |
0 |
0 |
0 |
0.007 |
46 |
|
[CL]T:406 |
1 |
1 |
125 |
◊ |
M |
x,y,z |
1_555 |
1 |
1 |
21185 |
12.0 |
-1.4 |
0.000 |
0 |
0 |
0 |
0.007 |
Average: |
12.1 |
-1.4 |
0.000 |
0 |
0 |
0 |
0.007 |
34 |
47 |
|
M |
1 |
1 |
21185 |
◊ |
T |
-x,y-1/2,-z+1/2 |
3_545 |
1 |
1 |
12849 |
3.3 |
0.1 |
0.766 |
0 |
0 |
0 |
0.000 |
35 |
48 |
|
L |
2 |
2 |
21212 |
x |
L |
-x,y-1/2,-z-1/2 |
3_544 |
1 |
1 |
21212 |
2.4 |
-0.1 |
0.479 |
0 |
0 |
0 |
0.000 |
|