## |
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 |
|
E |
91 |
21 |
5467 |
◊ |
B |
x,y,z |
1_555 |
99 |
24 |
6069 |
869.9 |
-6.0 |
0.499 |
6 |
14 |
0 |
0.092 |
2 |
2 |
|
A |
61 |
15 |
7411 |
◊ |
D |
x-1,x-y,-z |
6_455 |
63 |
15 |
7320 |
560.4 |
-0.7 |
0.690 |
11 |
1 |
0 |
0.032 |
3 |
3 |
|
B |
52 |
15 |
6069 |
◊ |
B |
x,x-y,-z |
6_555 |
52 |
15 |
6069 |
468.6 |
-3.6 |
0.493 |
10 |
2 |
0 |
0.103 |
4 |
|
E |
41 |
12 |
5467 |
◊ |
E |
x,x-y,-z |
6_555 |
42 |
12 |
5467 |
407.0 |
-5.2 |
0.269 |
8 |
0 |
0 |
0.103 |
Average: |
437.8 |
-4.4 |
0.381 |
9 |
1 |
0 |
0.103 |
4 |
5 |
|
[RAP]D:201 |
39 |
1 |
1025 |
◊ |
D |
x,y,z |
1_555 |
61 |
19 |
7320 |
454.7 |
-2.8 |
0.592 |
5 |
0 |
0 |
0.032 |
6 |
|
[RAP]A:201 |
38 |
1 |
1024 |
◊ |
A |
x,y,z |
1_555 |
59 |
17 |
7411 |
441.7 |
-2.2 |
0.627 |
5 |
0 |
0 |
0.032 |
Average: |
448.2 |
-2.5 |
0.610 |
5 |
0 |
0 |
0.032 |
5 |
7 |
|
B |
52 |
14 |
6069 |
◊ |
B |
-x+y,y,-z+1/3 |
5_555 |
52 |
14 |
6069 |
418.3 |
5.3 |
0.936 |
4 |
0 |
0 |
0.000 |
6 |
8 |
|
[RAP]D:201 |
27 |
1 |
1025 |
f |
E |
x,y,z |
1_555 |
57 |
12 |
5467 |
390.0 |
-7.3 |
0.312 |
0 |
0 |
0 |
0.174 |
9 |
|
[RAP]A:201 |
27 |
1 |
1024 |
f |
B |
x,y,z |
1_555 |
54 |
12 |
6069 |
378.1 |
-7.1 |
0.332 |
0 |
0 |
0 |
0.174 |
Average: |
384.0 |
-7.2 |
0.322 |
0 |
0 |
0 |
0.174 |
7 |
10 |
|
E |
43 |
10 |
5467 |
◊ |
D |
x,y,z |
1_555 |
48 |
15 |
7320 |
383.5 |
-4.2 |
0.313 |
1 |
2 |
0 |
0.032 |
11 |
|
B |
29 |
10 |
6069 |
◊ |
A |
x,y,z |
1_555 |
32 |
12 |
7411 |
266.4 |
-1.7 |
0.481 |
1 |
2 |
0 |
0.032 |
Average: |
324.9 |
-2.9 |
0.397 |
1 |
2 |
0 |
0.032 |
8 |
12 |
|
B |
44 |
12 |
6069 |
◊ |
A |
-x+y,y,-z+1/3 |
5_555 |
44 |
10 |
7411 |
371.8 |
-3.2 |
0.429 |
2 |
0 |
0 |
0.030 |
9 |
13 |
|
A |
23 |
7 |
7411 |
◊ |
A |
-y,-x,-z-1/3 |
4_554 |
24 |
7 |
7411 |
177.4 |
-1.4 |
0.505 |
0 |
0 |
0 |
0.006 |
10 |
14 |
|
D |
18 |
5 |
7320 |
◊ |
A |
-y+1,x-y+1,z+1/3 |
2_665 |
15 |
4 |
7411 |
151.0 |
0.0 |
0.601 |
0 |
0 |
0 |
0.000 |
11 |
15 |
|
[SO4]E:2205 |
5 |
1 |
184 |
f |
E |
x,y,z |
1_555 |
29 |
9 |
5467 |
119.5 |
-17.5 |
0.603 |
1 |
0 |
0 |
0.233 |
12 |
16 |
|
[SO4]D:202 |
5 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
14 |
8 |
7320 |
103.8 |
-15.8 |
0.758 |
3 |
0 |
0 |
0.109 |
13 |
17 |
|
[SO4]A:203 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
9 |
3 |
7411 |
101.0 |
-11.7 |
0.845 |
2 |
0 |
0 |
0.117 |
14 |
18 |
|
[SO4]A:204 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
15 |
8 |
7411 |
99.5 |
-14.4 |
0.776 |
3 |
0 |
0 |
0.147 |
15 |
19 |
|
[SO4]A:207 |
5 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
14 |
5 |
7411 |
98.8 |
-15.8 |
0.752 |
4 |
0 |
0 |
0.164 |
16 |
20 |
|
[SO4]E:2201 |
5 |
1 |
184 |
f |
E |
x,y,z |
1_555 |
13 |
5 |
5467 |
94.0 |
-14.1 |
0.681 |
1 |
0 |
0 |
0.189 |
17 |
21 |
|
[SO4]A:208 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
13 |
5 |
7411 |
93.5 |
-13.0 |
0.650 |
0 |
0 |
0 |
0.121 |
18 |
22 |
|
[SO4]D:203 |
5 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
13 |
5 |
7320 |
92.5 |
-13.0 |
0.661 |
0 |
0 |
0 |
0.082 |
19 |
23 |
|
[SO4]D:205 |
5 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
10 |
4 |
7320 |
89.8 |
-11.1 |
0.882 |
2 |
0 |
0 |
0.076 |
20 |
24 |
|
[SO4]A:202 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
15 |
6 |
7411 |
89.0 |
-12.6 |
0.787 |
5 |
0 |
0 |
0.138 |
21 |
25 |
|
D |
12 |
3 |
7320 |
◊ |
D |
-y+1,-x+1,-z-1/3 |
4_664 |
12 |
3 |
7320 |
83.2 |
-1.2 |
0.421 |
0 |
0 |
0 |
0.000 |
22 |
26 |
|
[SO4]D:204 |
5 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
14 |
6 |
7320 |
82.9 |
-12.0 |
0.776 |
4 |
0 |
0 |
0.088 |
23 |
27 |
|
[SO4]B:2204 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
11 |
3 |
6069 |
79.7 |
-8.7 |
0.893 |
2 |
0 |
0 |
0.236 |
24 |
28 |
|
[SO4]B:2203 |
5 |
1 |
186 |
◊ |
B |
-x+y,y,-z+1/3 |
5_555 |
15 |
5 |
6069 |
68.6 |
-8.2 |
0.866 |
3 |
0 |
0 |
0.162 |
25 |
29 |
|
[SO4]E:2206 |
5 |
1 |
185 |
f |
E |
x,y,z |
1_555 |
10 |
4 |
5467 |
66.2 |
-7.9 |
0.867 |
0 |
0 |
0 |
0.103 |
26 |
30 |
|
[SO4]A:202 |
5 |
1 |
186 |
◊ |
B |
x,y,z |
1_555 |
8 |
3 |
6069 |
65.3 |
-7.8 |
0.884 |
2 |
0 |
0 |
0.064 |
27 |
31 |
|
[SO4]B:2201 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
11 |
4 |
6069 |
62.7 |
-8.8 |
0.664 |
1 |
0 |
0 |
0.227 |
28 |
32 |
|
[SO4]A:205 |
5 |
1 |
186 |
◊ |
A |
-y,-x,-z-1/3 |
4_554 |
13 |
5 |
7411 |
62.7 |
-7.2 |
0.829 |
4 |
0 |
0 |
0.084 |
29 |
33 |
|
[SO4]A:206 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
9 |
4 |
7411 |
62.6 |
-8.8 |
0.803 |
2 |
0 |
0 |
0.090 |
30 |
34 |
|
[SO4]E:2204 |
5 |
1 |
185 |
f |
E |
x,y,z |
1_555 |
9 |
3 |
5467 |
59.7 |
-7.9 |
0.797 |
1 |
0 |
0 |
0.108 |
31 |
35 |
|
[SO4]A:205 |
5 |
1 |
186 |
◊ |
A |
x,y,z |
1_555 |
11 |
4 |
7411 |
59.5 |
-6.8 |
0.829 |
3 |
0 |
0 |
0.075 |
32 |
36 |
|
E |
7 |
4 |
5467 |
◊ |
D |
-y+1,-x+1,-z-1/3 |
4_664 |
8 |
3 |
7320 |
57.7 |
0.5 |
0.740 |
0 |
0 |
0 |
0.000 |
33 |
37 |
|
[SO4]A:205 |
5 |
1 |
186 |
f |
[SO4]A:205 |
-y,-x,-z-1/3 |
4_554 |
5 |
1 |
186 |
57.5 |
-12.4 |
0.993 |
0 |
0 |
0 |
0.100 |
34 |
38 |
|
[SO4]B:2204 |
5 |
1 |
185 |
◊ |
B |
-x+y,y,-z+1/3 |
5_555 |
10 |
3 |
6069 |
56.5 |
-7.0 |
0.818 |
1 |
0 |
0 |
0.126 |
35 |
39 |
|
[SO4]E:2204 |
5 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
9 |
3 |
6069 |
56.2 |
-7.5 |
0.803 |
0 |
0 |
0 |
0.064 |
36 |
40 |
|
[SO4]E:2203 |
5 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
7 |
3 |
7320 |
55.4 |
-7.6 |
0.761 |
2 |
0 |
0 |
0.054 |
37 |
41 |
|
[SO4]B:2203 |
5 |
1 |
186 |
f |
[SO4]B:2203 |
-x+y,y,-z+1/3 |
5_555 |
5 |
1 |
186 |
53.4 |
-11.7 |
0.993 |
0 |
0 |
0 |
0.100 |
38 |
42 |
|
[SO4]B:2202 |
5 |
1 |
185 |
f |
B |
x,x-y,-z |
6_555 |
7 |
3 |
6069 |
53.4 |
-5.7 |
0.923 |
1 |
0 |
0 |
0.151 |
39 |
43 |
|
[SO4]A:206 |
5 |
1 |
185 |
◊ |
B |
-x+y,y,-z+1/3 |
5_555 |
12 |
5 |
6069 |
53.4 |
-7.4 |
0.716 |
1 |
0 |
0 |
0.057 |
40 |
44 |
|
[SO4]B:2203 |
4 |
1 |
186 |
◊ |
B |
x,y,z |
1_555 |
12 |
4 |
6069 |
52.2 |
-5.4 |
0.884 |
1 |
0 |
0 |
0.099 |
41 |
45 |
|
[SO4]E:2202 |
4 |
1 |
185 |
f |
E |
x,y,z |
1_555 |
7 |
2 |
5467 |
49.5 |
-5.5 |
0.911 |
2 |
0 |
0 |
0.083 |
42 |
46 |
|
[SO4]E:2206 |
3 |
1 |
185 |
◊ |
D |
-y+1,-x+1,-z-1/3 |
4_664 |
5 |
3 |
7320 |
44.8 |
-5.2 |
0.923 |
1 |
0 |
0 |
0.018 |
43 |
47 |
|
[SO4]E:2203 |
4 |
1 |
185 |
◊ |
E |
x,y,z |
1_555 |
2 |
1 |
5467 |
44.7 |
-3.9 |
0.984 |
2 |
0 |
0 |
0.030 |
44 |
48 |
|
[SO4]A:206 |
3 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
6 |
2 |
6069 |
44.0 |
-4.8 |
0.896 |
1 |
0 |
0 |
0.038 |
45 |
49 |
|
B |
5 |
2 |
6069 |
◊ |
A |
x,x-y,-z |
6_555 |
3 |
1 |
7411 |
42.3 |
-0.6 |
0.296 |
0 |
0 |
0 |
0.004 |
46 |
50 |
|
[SO4]B:2201 |
4 |
1 |
186 |
◊ |
A |
-x+y,y,-z+1/3 |
5_555 |
5 |
2 |
7411 |
41.3 |
-4.4 |
0.946 |
1 |
0 |
0 |
0.035 |
47 |
51 |
|
[SO4]B:2204 |
5 |
1 |
185 |
◊ |
A |
-x+y,y,-z+1/3 |
5_555 |
7 |
3 |
7411 |
40.4 |
-4.5 |
0.670 |
0 |
0 |
0 |
0.033 |
48 |
52 |
|
[SO4]B:2202 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
6069 |
39.3 |
-4.0 |
0.941 |
1 |
0 |
0 |
0.109 |
49 |
53 |
|
[SO4]D:204 |
4 |
1 |
185 |
◊ |
E |
x,y,z |
1_555 |
5 |
2 |
5467 |
37.8 |
-4.6 |
0.579 |
0 |
0 |
0 |
0.029 |
50 |
54 |
|
E |
4 |
2 |
5467 |
◊ |
D |
x,x-y,-z |
6_555 |
3 |
2 |
7320 |
36.7 |
-0.6 |
0.334 |
0 |
0 |
0 |
0.003 |
51 |
55 |
|
[SO4]E:2202 |
4 |
1 |
185 |
◊ |
E |
x,x-y,-z |
6_555 |
3 |
1 |
5467 |
35.9 |
-3.7 |
0.947 |
1 |
0 |
0 |
0.054 |
52 |
56 |
|
[RAP]D:201 |
4 |
1 |
1025 |
◊ |
B |
x,y,z |
1_555 |
5 |
3 |
6069 |
34.4 |
0.0 |
0.632 |
0 |
0 |
0 |
0.000 |
57 |
|
[RAP]A:201 |
2 |
1 |
1024 |
◊ |
E |
x,y,z |
1_555 |
2 |
2 |
5467 |
11.4 |
-0.0 |
0.613 |
0 |
0 |
0 |
0.000 |
Average: |
22.9 |
-0.0 |
0.623 |
0 |
0 |
0 |
0.000 |
53 |
58 |
|
[SO4]E:2201 |
1 |
1 |
184 |
◊ |
D |
x,y,z |
1_555 |
5 |
3 |
7320 |
27.0 |
-4.1 |
0.652 |
0 |
0 |
0 |
0.026 |
54 |
59 |
|
[SO4]B:2202 |
2 |
1 |
185 |
◊ |
E |
x,y,z |
1_555 |
2 |
1 |
5467 |
21.2 |
-2.8 |
0.459 |
0 |
0 |
0 |
0.020 |
55 |
60 |
|
[SO4]E:2205 |
4 |
1 |
184 |
◊ |
E |
x,x-y,-z |
6_555 |
3 |
1 |
5467 |
20.7 |
-2.0 |
0.910 |
0 |
0 |
0 |
0.026 |
56 |
61 |
|
[SO4]E:2202 |
3 |
1 |
185 |
◊ |
B |
x,x-y,-z |
6_555 |
2 |
2 |
6069 |
19.2 |
-2.6 |
0.508 |
0 |
0 |
0 |
0.018 |
57 |
62 |
|
[SO4]E:2205 |
4 |
1 |
184 |
f |
[SO4]E:2202 |
x,y,z |
1_555 |
4 |
1 |
185 |
18.3 |
-4.0 |
0.998 |
0 |
0 |
0 |
0.052 |
58 |
63 |
|
E |
1 |
1 |
5467 |
◊ |
B |
x,x-y,-z |
6_555 |
3 |
1 |
6069 |
8.6 |
0.3 |
0.778 |
0 |
0 |
0 |
0.000 |
59 |
64 |
|
[SO4]E:2203 |
1 |
1 |
185 |
◊ |
[SO4]E:2201 |
x,y,z |
1_555 |
2 |
1 |
184 |
7.0 |
-1.7 |
0.876 |
0 |
0 |
0 |
0.011 |
60 |
65 |
|
[SO4]A:208 |
2 |
1 |
185 |
◊ |
D |
x-1,x-y,-z |
6_455 |
1 |
1 |
7320 |
6.0 |
-0.6 |
0.868 |
0 |
0 |
0 |
0.003 |
61 |
66 |
|
[SO4]D:205 |
1 |
1 |
185 |
f |
[SO4]D:202 |
x,y,z |
1_555 |
1 |
1 |
185 |
4.4 |
-1.0 |
1.000 |
0 |
0 |
0 |
0.007 |
62 |
67 |
|
[SO4]D:204 |
1 |
1 |
185 |
◊ |
[RAP]D:201 |
x,y,z |
1_555 |
1 |
1 |
1025 |
2.7 |
-0.3 |
0.816 |
0 |
0 |
0 |
0.002 |
|