| ## |
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 |
|
B |
327 |
75 |
13115 |
◊ |
A |
x,y,z |
1_555 |
333 |
78 |
13119 |
3159.8 |
-30.3 |
0.331 |
36 |
10 |
0 |
0.373 |
2 |
|
D |
303 |
71 |
12282 |
◊ |
C |
x,y,z |
1_555 |
307 |
73 |
12576 |
2784.9 |
-35.8 |
0.164 |
26 |
4 |
0 |
0.373 |
| Average: |
2972.4 |
-33.1 |
0.247 |
31 |
7 |
0 |
0.373 |
| 2 |
3 |
|
C |
79 |
28 |
12576 |
◊ |
A |
x,y,z |
1_555 |
70 |
27 |
13119 |
705.3 |
-11.5 |
0.131 |
1 |
0 |
0 |
0.032 |
| 3 |
4 |
|
B |
51 |
15 |
13115 |
◊ |
B |
x-y,-y,-z-1/3 |
5_554 |
51 |
15 |
13115 |
512.0 |
-5.0 |
0.413 |
4 |
0 |
0 |
0.009 |
| 4 |
5 |
|
C |
54 |
14 |
12576 |
◊ |
D |
-y+1,x-y,z+1/3 |
2_655 |
53 |
16 |
12282 |
505.7 |
-4.8 |
0.430 |
9 |
2 |
0 |
0.000 |
| 5 |
6 |
|
A |
48 |
11 |
13119 |
◊ |
D |
-x+1,-x+y,-z+1/3 |
6_655 |
56 |
13 |
12282 |
459.4 |
-3.4 |
0.500 |
3 |
0 |
0 |
0.000 |
| 6 |
7 |
|
C |
49 |
16 |
12576 |
◊ |
B |
x,y,z |
1_555 |
50 |
14 |
13115 |
458.0 |
-7.3 |
0.202 |
4 |
0 |
0 |
0.050 |
8 |
|
D |
45 |
16 |
12282 |
◊ |
A |
x,y,z |
1_555 |
50 |
17 |
13119 |
400.5 |
-8.4 |
0.108 |
2 |
0 |
0 |
0.050 |
| Average: |
429.2 |
-7.8 |
0.155 |
3 |
0 |
0 |
0.050 |
| 7 |
9 |
|
B |
39 |
9 |
13115 |
◊ |
A |
x-y,-y,-z-1/3 |
5_554 |
33 |
10 |
13119 |
310.5 |
-1.9 |
0.591 |
1 |
2 |
0 |
0.007 |
| 8 |
10 |
|
B |
32 |
11 |
13115 |
◊ |
B |
y,x,-z |
4_555 |
32 |
11 |
13115 |
306.3 |
-4.6 |
0.301 |
0 |
0 |
0 |
0.006 |
| 9 |
11 |
|
A |
25 |
10 |
13119 |
◊ |
A |
x-y,-y,-z-1/3 |
5_554 |
25 |
10 |
13119 |
252.8 |
2.4 |
0.900 |
4 |
0 |
0 |
0.000 |
| 10 |
12 |
|
D |
24 |
9 |
12282 |
◊ |
B |
x,y,z |
1_555 |
21 |
9 |
13115 |
213.9 |
-2.2 |
0.421 |
2 |
0 |
0 |
0.008 |
| 11 |
13 |
|
C |
16 |
6 |
12576 |
◊ |
B |
-y+1,x-y,z+1/3 |
2_655 |
15 |
4 |
13115 |
135.0 |
-0.5 |
0.515 |
1 |
0 |
0 |
0.000 |
| 12 |
14 |
|
C |
13 |
4 |
12576 |
◊ |
D |
-x+1,-x+y,-z+1/3 |
6_655 |
19 |
6 |
12282 |
132.1 |
0.0 |
0.656 |
0 |
0 |
0 |
0.000 |
| 13 |
15 |
|
D |
16 |
5 |
12282 |
◊ |
B |
y,x,-z |
4_555 |
14 |
5 |
13115 |
117.9 |
0.9 |
0.760 |
1 |
4 |
0 |
0.000 |
| 14 |
16 |
|
[GOL]A:501 |
6 |
1 |
220 |
f |
A |
x,y,z |
1_555 |
19 |
8 |
13119 |
113.9 |
-1.2 |
0.491 |
1 |
0 |
0 |
0.008 |
| 15 |
17 |
|
[GOL]B:502 |
6 |
1 |
221 |
f |
B |
x,y,z |
1_555 |
16 |
9 |
13115 |
112.3 |
-0.1 |
0.657 |
3 |
0 |
0 |
0.007 |
| 16 |
18 |
|
[SO4]A:401 |
5 |
1 |
187 |
f |
A |
x,y,z |
1_555 |
16 |
7 |
13119 |
107.0 |
-21.1 |
0.705 |
9 |
0 |
0 |
0.122 |
| 17 |
19 |
|
[SO4]C:2401 |
5 |
1 |
187 |
f |
C |
x,y,z |
1_555 |
17 |
7 |
12576 |
106.4 |
-20.8 |
0.723 |
9 |
0 |
0 |
0.193 |
| 18 |
20 |
|
[SO4]D:3401 |
5 |
1 |
186 |
f |
D |
x,y,z |
1_555 |
15 |
7 |
12282 |
105.5 |
-20.4 |
0.745 |
9 |
0 |
0 |
0.189 |
| 19 |
21 |
|
[SO4]B:1401 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
17 |
7 |
13115 |
102.4 |
-19.8 |
0.723 |
8 |
0 |
0 |
0.114 |
| 20 |
22 |
|
[WO4]C:2302 |
5 |
1 |
204 |
f |
C |
x,y,z |
1_555 |
17 |
11 |
12576 |
102.1 |
-1.1 |
0.692 |
0 |
0 |
0 |
0.010 |
23 |
|
[WO4]A:302 |
5 |
1 |
203 |
f |
A |
x,y,z |
1_555 |
17 |
10 |
13119 |
101.5 |
-1.1 |
0.694 |
0 |
0 |
0 |
0.010 |
24 |
|
[WO4]B:1302 |
5 |
1 |
202 |
f |
B |
x,y,z |
1_555 |
18 |
10 |
13115 |
100.0 |
-1.0 |
0.699 |
0 |
0 |
0 |
0.010 |
| Average: |
101.2 |
-1.0 |
0.695 |
0 |
0 |
0 |
0.010 |
| 21 |
25 |
|
[WO4]D:3302 |
5 |
1 |
202 |
f |
D |
x,y,z |
1_555 |
16 |
10 |
12282 |
101.4 |
-1.1 |
0.704 |
0 |
0 |
0 |
0.009 |
| 22 |
26 |
|
[SO4]A:404 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
16 |
5 |
13119 |
94.0 |
-13.8 |
0.853 |
2 |
0 |
0 |
0.071 |
| 23 |
27 |
|
C |
15 |
6 |
12576 |
◊ |
C |
x-y,-y,-z+2/3 |
5_555 |
15 |
6 |
12576 |
89.3 |
1.7 |
0.865 |
0 |
0 |
0 |
0.000 |
| 24 |
28 |
|
[SO4]A:403 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
15 |
5 |
13119 |
85.3 |
-12.6 |
0.834 |
5 |
0 |
0 |
0.072 |
| 25 |
29 |
|
[SO4]B:1403 |
5 |
1 |
187 |
f |
B |
x,y,z |
1_555 |
15 |
3 |
13115 |
84.0 |
-11.5 |
0.690 |
0 |
0 |
0 |
0.056 |
| 26 |
30 |
|
[SO4]B:1403 |
5 |
1 |
187 |
◊ |
A |
x,y,z |
1_555 |
14 |
6 |
13119 |
76.4 |
-11.0 |
0.741 |
1 |
0 |
0 |
0.056 |
| 27 |
31 |
|
[SO4]A:402 |
4 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
12 |
5 |
13119 |
69.9 |
-10.5 |
0.613 |
3 |
0 |
0 |
0.058 |
| 28 |
32 |
|
[SO4]B:1402 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
14 |
7 |
13115 |
66.7 |
-9.5 |
0.722 |
2 |
0 |
0 |
0.051 |
| 29 |
33 |
|
[SO4]D:3402 |
5 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
14 |
6 |
12282 |
63.4 |
-9.0 |
0.723 |
2 |
0 |
0 |
0.076 |
| 30 |
34 |
|
C |
9 |
2 |
12576 |
x |
C |
-y+1,x-y,z+1/3 |
2_655 |
7 |
3 |
12576 |
62.7 |
-0.6 |
0.451 |
0 |
0 |
0 |
0.000 |
| 31 |
35 |
|
B |
6 |
3 |
13115 |
◊ |
A |
y,x,-z |
4_555 |
7 |
4 |
13119 |
50.3 |
-0.1 |
0.597 |
0 |
0 |
0 |
0.000 |
| 32 |
36 |
|
[MG]A:301 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
9 |
4 |
13119 |
44.8 |
-6.5 |
0.000 |
0 |
0 |
0 |
0.103 |
37 |
|
[MG]D:3301 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
8 |
4 |
12282 |
44.7 |
-6.7 |
0.000 |
0 |
0 |
0 |
0.103 |
38 |
|
[MG]B:1301 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
8 |
4 |
13115 |
44.2 |
-6.6 |
0.000 |
0 |
0 |
0 |
0.103 |
39 |
|
[MG]C:2301 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
8 |
4 |
12576 |
43.8 |
-6.6 |
0.000 |
0 |
0 |
0 |
0.103 |
| Average: |
44.4 |
-6.6 |
0.000 |
0 |
0 |
0 |
0.103 |
| 33 |
40 |
|
[GOL]B:502 |
4 |
1 |
221 |
◊ |
B |
y,x,-z |
4_555 |
5 |
2 |
13115 |
41.1 |
-1.3 |
0.281 |
0 |
0 |
0 |
0.003 |
| 34 |
41 |
|
[SO4]A:404 |
4 |
1 |
186 |
◊ |
B |
x,y,z |
1_555 |
6 |
2 |
13115 |
37.9 |
-4.8 |
0.695 |
0 |
0 |
0 |
0.023 |
| 35 |
42 |
|
[SO4]A:403 |
5 |
1 |
186 |
◊ |
B |
x,y,z |
1_555 |
7 |
3 |
13115 |
36.2 |
-4.4 |
0.752 |
0 |
0 |
0 |
0.022 |
| 36 |
43 |
|
[WO4]C:2302 |
2 |
1 |
204 |
f |
[MG]C:2301 |
x,y,z |
1_555 |
1 |
1 |
98 |
31.5 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.040 |
44 |
|
[WO4]A:302 |
2 |
1 |
203 |
f |
[MG]A:301 |
x,y,z |
1_555 |
1 |
1 |
98 |
31.2 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.040 |
45 |
|
[WO4]B:1302 |
1 |
1 |
202 |
f |
[MG]B:1301 |
x,y,z |
1_555 |
1 |
1 |
98 |
30.1 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.040 |
46 |
|
[WO4]D:3302 |
1 |
1 |
202 |
f |
[MG]D:3301 |
x,y,z |
1_555 |
1 |
1 |
98 |
29.4 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.040 |
| Average: |
30.5 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.040 |
| 37 |
47 |
|
D |
5 |
1 |
12282 |
◊ |
D |
y,x,-z |
4_555 |
5 |
1 |
12282 |
27.6 |
-0.3 |
0.577 |
0 |
0 |
0 |
0.000 |
| 38 |
48 |
|
[GOL]A:501 |
3 |
1 |
220 |
◊ |
D |
-x+1,-x+y,-z+1/3 |
6_655 |
3 |
1 |
12282 |
11.4 |
0.1 |
0.579 |
0 |
0 |
0 |
0.000 |
| 39 |
49 |
|
[SO4]A:403 |
1 |
1 |
186 |
◊ |
B |
x-y,-y,-z-1/3 |
5_554 |
2 |
1 |
13115 |
8.2 |
-1.1 |
0.591 |
0 |
0 |
0 |
0.003 |
| 40 |
50 |
|
D |
1 |
1 |
12282 |
x |
D |
-y+1,x-y,z+1/3 |
2_655 |
2 |
1 |
12282 |
7.4 |
-0.0 |
0.610 |
0 |
0 |
0 |
0.000 |
| 41 |
51 |
|
[SO4]B:1402 |
1 |
1 |
185 |
f |
[SO4]B:1401 |
x,y,z |
1_555 |
1 |
1 |
185 |
5.3 |
-1.3 |
0.800 |
0 |
0 |
0 |
0.006 |
| 42 |
52 |
|
[SO4]B:1401 |
1 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
13119 |
4.5 |
-0.6 |
0.555 |
0 |
0 |
0 |
0.003 |
| 43 |
53 |
|
[SO4]D:3402 |
1 |
1 |
185 |
f |
[SO4]D:3401 |
x,y,z |
1_555 |
1 |
1 |
186 |
4.1 |
-1.0 |
1.000 |
0 |
0 |
0 |
0.008 |
| 44 |
54 |
|
[SO4]C:2401 |
1 |
1 |
187 |
◊ |
D |
x,y,z |
1_555 |
1 |
1 |
12282 |
1.8 |
-0.2 |
0.709 |
0 |
0 |
0 |
0.002 |
|