## |
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 |
298 |
80 |
20482 |
◊ |
B |
x,y,z |
1_555 |
297 |
80 |
20428 |
3152.6 |
-53.4 |
0.000 |
12 |
4 |
0 |
1.000 |
2 |
|
D |
299 |
78 |
20390 |
◊ |
A |
x,y,z |
1_555 |
293 |
79 |
20338 |
3088.2 |
-54.4 |
0.000 |
9 |
4 |
0 |
1.000 |
Average: |
3120.4 |
-53.9 |
0.000 |
11 |
4 |
0 |
1.000 |
2 |
3 |
|
C |
127 |
33 |
20482 |
◊ |
A |
x,y,z |
1_555 |
130 |
34 |
20338 |
1187.8 |
-20.9 |
0.029 |
4 |
0 |
0 |
0.642 |
4 |
|
D |
122 |
32 |
20390 |
◊ |
B |
x,y,z |
1_555 |
125 |
32 |
20428 |
1158.8 |
-20.7 |
0.029 |
4 |
0 |
0 |
0.642 |
Average: |
1173.3 |
-20.8 |
0.029 |
4 |
0 |
0 |
0.642 |
3 |
5 |
|
D |
105 |
31 |
20390 |
◊ |
C |
x,y,z |
1_555 |
108 |
33 |
20482 |
1011.4 |
-2.0 |
0.713 |
11 |
4 |
0 |
0.196 |
6 |
|
B |
102 |
33 |
20428 |
◊ |
A |
x,y,z |
1_555 |
102 |
33 |
20338 |
947.4 |
-4.0 |
0.602 |
10 |
5 |
0 |
0.196 |
Average: |
979.4 |
-3.0 |
0.658 |
11 |
5 |
0 |
0.196 |
4 |
7 |
|
B |
47 |
16 |
20428 |
◊ |
A |
-x-2,y-1/2,-z |
2_345 |
45 |
11 |
20338 |
399.0 |
-1.3 |
0.557 |
4 |
2 |
0 |
0.000 |
8 |
|
B |
44 |
9 |
20428 |
◊ |
A |
-x-2,y-1/2,-z-1 |
2_344 |
43 |
16 |
20338 |
388.6 |
-1.2 |
0.540 |
3 |
0 |
0 |
0.000 |
Average: |
393.8 |
-1.2 |
0.549 |
4 |
1 |
0 |
0.000 |
5 |
9 |
|
B |
32 |
8 |
20428 |
◊ |
C |
x-1,y,z |
1_455 |
38 |
11 |
20482 |
315.0 |
0.5 |
0.722 |
6 |
1 |
0 |
0.000 |
6 |
10 |
|
[MES]D:401 |
11 |
1 |
338 |
f |
D |
x,y,z |
1_555 |
36 |
13 |
20390 |
238.0 |
6.3 |
0.415 |
0 |
0 |
0 |
0.000 |
7 |
11 |
|
A |
31 |
8 |
20338 |
◊ |
D |
x-1,y,z |
1_455 |
31 |
11 |
20390 |
236.7 |
0.1 |
0.704 |
3 |
3 |
0 |
0.000 |
8 |
12 |
|
[MES]A:401 |
12 |
1 |
334 |
◊ |
A |
x,y,z |
1_555 |
36 |
13 |
20338 |
226.7 |
5.4 |
0.360 |
0 |
0 |
0 |
0.000 |
9 |
13 |
|
[MES]B:402 |
12 |
1 |
338 |
f |
B |
x,y,z |
1_555 |
42 |
14 |
20428 |
213.7 |
5.0 |
0.459 |
0 |
0 |
0 |
0.000 |
10 |
14 |
|
[MES]C:401 |
12 |
1 |
335 |
f |
C |
x,y,z |
1_555 |
35 |
13 |
20482 |
187.8 |
4.6 |
0.402 |
0 |
0 |
0 |
0.000 |
11 |
15 |
|
C |
22 |
7 |
20482 |
◊ |
A |
x,y-1,z |
1_545 |
20 |
7 |
20338 |
165.8 |
-0.5 |
0.557 |
0 |
0 |
0 |
0.000 |
16 |
|
B |
20 |
7 |
20428 |
◊ |
D |
x,y-1,z |
1_545 |
19 |
7 |
20390 |
150.5 |
-0.7 |
0.546 |
0 |
0 |
0 |
0.000 |
Average: |
158.1 |
-0.6 |
0.551 |
0 |
0 |
0 |
0.000 |
12 |
17 |
|
B |
21 |
7 |
20428 |
◊ |
C |
-x-2,y-1/2,-z |
2_345 |
21 |
9 |
20482 |
153.8 |
0.2 |
0.685 |
0 |
0 |
0 |
0.000 |
18 |
|
D |
20 |
7 |
20390 |
◊ |
A |
-x-2,y-1/2,-z-1 |
2_344 |
20 |
6 |
20338 |
145.9 |
-1.5 |
0.482 |
1 |
0 |
0 |
0.000 |
Average: |
149.9 |
-0.6 |
0.584 |
1 |
0 |
0 |
0.000 |
13 |
19 |
|
[EDO]A:403 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
18 |
7 |
20338 |
109.8 |
2.5 |
0.438 |
3 |
0 |
0 |
0.000 |
14 |
20 |
|
[SO4]B:403 |
5 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
13 |
7 |
20428 |
97.8 |
-13.6 |
0.559 |
2 |
0 |
0 |
0.414 |
15 |
21 |
|
C |
9 |
3 |
20482 |
◊ |
A |
-x-1,y-1/2,-z |
2_445 |
12 |
4 |
20338 |
92.5 |
1.3 |
0.802 |
1 |
0 |
0 |
0.000 |
16 |
22 |
|
[EDO]A:404 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
14 |
6 |
20338 |
89.2 |
2.0 |
0.272 |
3 |
0 |
0 |
0.000 |
17 |
23 |
|
[EDO]B:401 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
14 |
6 |
20428 |
88.1 |
1.9 |
0.270 |
4 |
0 |
0 |
0.000 |
18 |
24 |
|
[SO4]C:402 |
5 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
18 |
6 |
20482 |
84.4 |
-11.5 |
0.662 |
6 |
0 |
0 |
0.368 |
19 |
25 |
|
[EDO]C:403 |
4 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
16 |
9 |
20482 |
83.5 |
1.9 |
0.340 |
5 |
0 |
0 |
0.009 |
20 |
26 |
|
[EDO]C:404 |
4 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
11 |
4 |
20482 |
78.4 |
1.1 |
0.651 |
3 |
0 |
0 |
0.006 |
21 |
27 |
|
[SO4]A:402 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
7 |
2 |
20338 |
72.8 |
-7.1 |
0.954 |
1 |
0 |
0 |
0.130 |
22 |
28 |
|
[SO4]D:402 |
4 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
10 |
4 |
20482 |
62.0 |
-8.5 |
0.827 |
2 |
0 |
0 |
0.245 |
23 |
29 |
|
B |
12 |
3 |
20428 |
◊ |
[EDO]C:404 |
-x-2,y-1/2,-z |
2_345 |
3 |
1 |
185 |
61.7 |
1.4 |
0.240 |
0 |
0 |
0 |
0.000 |
24 |
30 |
|
[SO4]D:402 |
5 |
1 |
184 |
◊ |
D |
x,y,z |
1_555 |
10 |
4 |
20390 |
60.1 |
-8.2 |
0.820 |
2 |
0 |
0 |
0.238 |
25 |
31 |
|
[MG]B:404 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
9 |
6 |
20428 |
48.5 |
-7.4 |
0.000 |
0 |
0 |
0 |
0.211 |
32 |
|
[MG]C:405 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
9 |
5 |
20482 |
47.1 |
-6.8 |
0.000 |
0 |
0 |
0 |
0.211 |
Average: |
47.8 |
-7.1 |
0.000 |
0 |
0 |
0 |
0.211 |
26 |
33 |
|
C |
7 |
3 |
20482 |
◊ |
D |
x,y-1,z |
1_545 |
5 |
3 |
20390 |
47.9 |
1.2 |
0.853 |
1 |
0 |
0 |
0.000 |
27 |
34 |
|
[EDO]A:403 |
4 |
1 |
184 |
f |
[MES]A:401 |
x,y,z |
1_555 |
5 |
1 |
334 |
43.8 |
2.1 |
0.155 |
0 |
0 |
0 |
0.000 |
28 |
35 |
|
[SO4]B:403 |
4 |
1 |
184 |
f |
[MES]B:402 |
x,y,z |
1_555 |
6 |
1 |
338 |
42.2 |
-4.9 |
0.106 |
0 |
0 |
0 |
0.139 |
29 |
36 |
|
B |
4 |
3 |
20428 |
◊ |
A |
x,y-1,z |
1_545 |
5 |
3 |
20338 |
41.4 |
0.7 |
0.809 |
0 |
0 |
0 |
0.000 |
30 |
37 |
|
B |
7 |
1 |
20428 |
◊ |
[MES]C:401 |
x-1,y,z |
1_455 |
4 |
1 |
335 |
40.9 |
1.0 |
0.303 |
0 |
0 |
0 |
0.000 |
31 |
38 |
|
[MES]B:402 |
3 |
1 |
338 |
◊ |
C |
x-1,y,z |
1_455 |
5 |
1 |
20482 |
39.6 |
1.7 |
0.569 |
0 |
0 |
0 |
0.000 |
32 |
39 |
|
[SO4]C:402 |
4 |
1 |
185 |
f |
[MES]C:401 |
x,y,z |
1_555 |
6 |
1 |
335 |
39.6 |
-3.6 |
0.127 |
0 |
0 |
0 |
0.093 |
33 |
40 |
|
[EDO]C:403 |
4 |
1 |
185 |
f |
[MES]C:401 |
x,y,z |
1_555 |
5 |
1 |
335 |
31.7 |
1.8 |
0.210 |
0 |
0 |
0 |
0.000 |
34 |
41 |
|
B |
6 |
2 |
20428 |
◊ |
[SO4]C:402 |
x-1,y,z |
1_455 |
4 |
1 |
185 |
27.2 |
-2.2 |
0.914 |
1 |
0 |
0 |
0.000 |
35 |
42 |
|
[EDO]C:403 |
3 |
1 |
185 |
f |
[SO4]C:402 |
x,y,z |
1_555 |
3 |
1 |
185 |
22.5 |
-2.4 |
0.996 |
1 |
0 |
0 |
0.074 |
36 |
43 |
|
[SO4]B:403 |
2 |
1 |
184 |
◊ |
C |
x-1,y,z |
1_455 |
4 |
2 |
20482 |
18.7 |
-2.5 |
0.728 |
0 |
0 |
0 |
0.000 |
37 |
44 |
|
[EDO]A:404 |
2 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
2 |
1 |
20482 |
14.4 |
0.5 |
0.894 |
0 |
0 |
0 |
0.000 |
38 |
45 |
|
[EDO]B:401 |
2 |
1 |
185 |
◊ |
D |
x,y,z |
1_555 |
2 |
1 |
20390 |
12.2 |
0.4 |
0.894 |
0 |
0 |
0 |
0.000 |
39 |
46 |
|
[MES]A:401 |
2 |
1 |
334 |
f |
D |
x-1,y,z |
1_455 |
1 |
1 |
20390 |
5.1 |
0.2 |
0.214 |
0 |
0 |
0 |
0.000 |
40 |
47 |
|
B |
1 |
1 |
20428 |
◊ |
C |
x,y-1,z |
1_545 |
1 |
1 |
20482 |
3.3 |
-0.0 |
0.574 |
0 |
0 |
0 |
0.000 |
41 |
48 |
|
[EDO]A:403 |
2 |
1 |
184 |
f |
D |
x-1,y,z |
1_455 |
2 |
2 |
20390 |
1.5 |
0.0 |
0.832 |
0 |
0 |
0 |
0.000 |
42 |
49 |
|
[MG]B:404 |
1 |
1 |
98 |
◊ |
C |
x,y-1,z |
1_545 |
1 |
1 |
20482 |
0.4 |
-0.0 |
0.000 |
0 |
0 |
0 |
0.000 |
|