| ## |
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 |
165 |
45 |
13047 |
◊ |
A |
x,y,z |
1_555 |
163 |
47 |
12719 |
1637.2 |
-23.7 |
0.005 |
9 |
4 |
0 |
0.413 |
| 2 |
2 |
|
B |
162 |
42 |
13047 |
◊ |
A |
x,y,z |
1_555 |
167 |
47 |
12719 |
1637.1 |
-10.8 |
0.196 |
30 |
18 |
0 |
0.388 |
3 |
|
D |
153 |
41 |
12968 |
◊ |
C |
x,y,z |
1_555 |
156 |
46 |
13047 |
1551.1 |
-8.0 |
0.287 |
21 |
15 |
0 |
0.388 |
| Average: |
1594.1 |
-9.4 |
0.241 |
26 |
17 |
0 |
0.388 |
| 3 |
4 |
|
D |
72 |
22 |
12968 |
◊ |
B |
-x+1/2,-y,z-1/2 |
2_554 |
62 |
20 |
13047 |
643.7 |
-3.6 |
0.362 |
7 |
3 |
0 |
0.000 |
| 4 |
5 |
|
[COA]B:405 |
44 |
1 |
955 |
f |
B |
x,y,z |
1_555 |
83 |
35 |
13047 |
615.5 |
-4.2 |
0.260 |
9 |
0 |
0 |
0.156 |
6 |
|
[COA]D:403 |
43 |
1 |
960 |
f |
D |
x,y,z |
1_555 |
81 |
33 |
12968 |
610.0 |
-3.9 |
0.278 |
9 |
0 |
0 |
0.156 |
| Average: |
612.8 |
-4.0 |
0.269 |
9 |
0 |
0 |
0.156 |
| 5 |
7 |
|
D |
43 |
15 |
12968 |
◊ |
A |
-x,y-1/2,-z-1/2 |
3_544 |
42 |
16 |
12719 |
368.4 |
1.5 |
0.783 |
3 |
4 |
0 |
0.000 |
| 6 |
8 |
|
D |
30 |
9 |
12968 |
◊ |
B |
-x,y-1/2,-z-1/2 |
3_544 |
43 |
16 |
13047 |
351.9 |
-2.9 |
0.185 |
4 |
1 |
0 |
0.000 |
| 7 |
9 |
|
D |
26 |
6 |
12968 |
◊ |
A |
x-1,y,z |
1_455 |
29 |
9 |
12719 |
235.7 |
-0.7 |
0.550 |
2 |
3 |
0 |
0.000 |
10 |
|
C |
22 |
9 |
13047 |
◊ |
B |
x-1,y,z |
1_455 |
22 |
6 |
13047 |
207.0 |
-3.0 |
0.210 |
0 |
0 |
0 |
0.000 |
| Average: |
221.4 |
-1.9 |
0.380 |
1 |
2 |
0 |
0.000 |
| 8 |
11 |
|
D |
29 |
7 |
12968 |
◊ |
B |
x-1/2,-y-1/2,-z |
4_445 |
30 |
9 |
13047 |
220.2 |
-2.4 |
0.382 |
0 |
0 |
0 |
0.000 |
| 9 |
12 |
|
C |
17 |
3 |
13047 |
x |
C |
-x,y-1/2,-z-1/2 |
3_544 |
17 |
4 |
13047 |
155.5 |
-0.0 |
0.570 |
0 |
0 |
0 |
0.000 |
| 10 |
13 |
|
[PYR]A:401 |
6 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
24 |
14 |
12719 |
120.5 |
4.9 |
0.724 |
6 |
0 |
0 |
0.000 |
14 |
|
[PYR]C:401 |
6 |
1 |
214 |
f |
C |
x,y,z |
1_555 |
21 |
12 |
13047 |
116.7 |
4.8 |
0.716 |
6 |
0 |
0 |
0.000 |
| Average: |
118.6 |
4.8 |
0.720 |
6 |
0 |
0 |
0.000 |
| 11 |
15 |
|
[GOL]C:403 |
5 |
1 |
218 |
f |
C |
x,y,z |
1_555 |
16 |
8 |
13047 |
103.5 |
-0.3 |
0.522 |
3 |
0 |
0 |
0.033 |
| 12 |
16 |
|
[GOL]C:402 |
6 |
1 |
221 |
f |
C |
x,y,z |
1_555 |
14 |
6 |
13047 |
103.2 |
-0.6 |
0.380 |
2 |
0 |
0 |
0.029 |
| 13 |
17 |
|
[GOL]B:404 |
6 |
1 |
220 |
f |
B |
x,y,z |
1_555 |
10 |
4 |
13047 |
90.4 |
-0.8 |
0.365 |
0 |
0 |
0 |
0.008 |
| 14 |
18 |
|
[SO4]B:401 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
14 |
4 |
13047 |
85.6 |
-13.2 |
0.712 |
4 |
0 |
0 |
0.154 |
| 15 |
19 |
|
[NA]D:402 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
15 |
9 |
12968 |
72.5 |
-10.4 |
0.000 |
0 |
0 |
0 |
0.206 |
20 |
|
[NA]B:403 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
14 |
8 |
13047 |
72.0 |
-10.4 |
0.000 |
0 |
0 |
0 |
0.206 |
| Average: |
72.2 |
-10.4 |
0.000 |
0 |
0 |
0 |
0.206 |
| 16 |
21 |
|
[SO4]D:401 |
5 |
1 |
185 |
f |
A |
-x,y-1/2,-z-1/2 |
3_544 |
10 |
6 |
12719 |
71.2 |
-9.2 |
0.912 |
2 |
0 |
0 |
0.147 |
| 17 |
22 |
|
[NA]A:402 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
7 |
3 |
12719 |
54.3 |
-7.4 |
0.000 |
0 |
0 |
0 |
0.108 |
| 18 |
23 |
|
[NA]B:402 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
9 |
3 |
13047 |
53.8 |
-7.6 |
0.000 |
0 |
0 |
0 |
0.078 |
| 19 |
24 |
|
[SO4]D:401 |
5 |
1 |
185 |
◊ |
D |
x,y,z |
1_555 |
3 |
2 |
12968 |
50.1 |
-5.6 |
0.847 |
2 |
0 |
0 |
0.000 |
| 20 |
25 |
|
[NA]A:402 |
1 |
1 |
125 |
◊ |
C |
x,y,z |
1_555 |
5 |
4 |
13047 |
44.6 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.079 |
| 21 |
26 |
|
C |
8 |
3 |
13047 |
◊ |
B |
-x+1/2,-y,z-1/2 |
2_554 |
5 |
2 |
13047 |
44.2 |
0.1 |
0.613 |
0 |
0 |
0 |
0.000 |
| 22 |
27 |
|
C |
5 |
3 |
13047 |
◊ |
[NA]B:402 |
x-1,y,z |
1_455 |
1 |
1 |
125 |
43.7 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.000 |
| 23 |
28 |
|
[MG]C:404 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
13 |
8 |
13047 |
37.7 |
-6.0 |
0.000 |
0 |
0 |
0 |
0.174 |
29 |
|
[MG]A:403 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
12 |
8 |
12719 |
37.4 |
-5.9 |
0.000 |
0 |
0 |
0 |
0.174 |
| Average: |
37.6 |
-5.9 |
0.000 |
0 |
0 |
0 |
0.174 |
| 24 |
30 |
|
[MG]C:404 |
1 |
1 |
98 |
f |
[PYR]C:401 |
x,y,z |
1_555 |
4 |
1 |
214 |
31.4 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.096 |
31 |
|
[MG]A:403 |
1 |
1 |
98 |
f |
[PYR]A:401 |
x,y,z |
1_555 |
4 |
1 |
216 |
31.1 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.096 |
| Average: |
31.3 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.096 |
| 25 |
32 |
|
[COA]D:403 |
2 |
1 |
960 |
f |
[NA]D:402 |
x,y,z |
1_555 |
1 |
1 |
125 |
26.2 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.045 |
33 |
|
[COA]B:405 |
2 |
1 |
955 |
f |
[NA]B:403 |
x,y,z |
1_555 |
1 |
1 |
125 |
26.0 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.045 |
| Average: |
26.1 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.045 |
| 26 |
34 |
|
D |
3 |
1 |
12968 |
◊ |
A |
x-1/2,-y-1/2,-z |
4_445 |
3 |
1 |
12719 |
16.9 |
0.5 |
0.791 |
0 |
0 |
0 |
0.000 |
| 27 |
35 |
|
[COA]D:403 |
2 |
1 |
960 |
◊ |
B |
-x+1/2,-y,z-1/2 |
2_554 |
4 |
2 |
13047 |
16.0 |
-0.5 |
0.419 |
0 |
0 |
0 |
0.000 |
| 28 |
36 |
|
[SO4]B:401 |
1 |
1 |
186 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
12719 |
14.2 |
-1.8 |
0.711 |
0 |
0 |
0 |
0.018 |
| 29 |
37 |
|
D |
1 |
1 |
12968 |
◊ |
[COA]B:405 |
-x,y-1/2,-z-1/2 |
3_544 |
1 |
1 |
955 |
13.2 |
-0.5 |
0.178 |
0 |
0 |
0 |
0.000 |
| 30 |
38 |
|
C |
1 |
1 |
13047 |
◊ |
B |
x-1/2,-y-1/2,-z |
4_445 |
1 |
1 |
13047 |
9.3 |
0.3 |
0.842 |
0 |
0 |
0 |
0.000 |
| 31 |
39 |
|
C |
3 |
3 |
13047 |
◊ |
[GOL]B:404 |
x-1,y,z |
1_455 |
3 |
1 |
220 |
8.8 |
-0.0 |
0.551 |
0 |
0 |
0 |
0.000 |
| 32 |
40 |
|
[GOL]C:403 |
2 |
1 |
218 |
◊ |
A |
x,y,z |
1_555 |
2 |
2 |
12719 |
2.4 |
-0.1 |
0.573 |
0 |
0 |
0 |
0.000 |
| 33 |
41 |
|
D |
1 |
1 |
12968 |
◊ |
C |
-x,y-1/2,-z-1/2 |
3_544 |
1 |
1 |
13047 |
2.3 |
0.1 |
0.747 |
0 |
0 |
0 |
0.000 |
|