## |
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 |
108 |
35 |
18466 |
◊ |
B |
x,y,z |
1_555 |
96 |
30 |
18709 |
964.2 |
-9.6 |
0.195 |
2 |
1 |
0 |
0.050 |
2 |
|
D |
99 |
29 |
18593 |
◊ |
A |
x,y,z |
1_555 |
109 |
35 |
18489 |
944.3 |
-9.3 |
0.211 |
3 |
2 |
0 |
0.050 |
Average: |
954.3 |
-9.5 |
0.203 |
3 |
2 |
0 |
0.050 |
2 |
3 |
|
B |
83 |
23 |
18709 |
◊ |
A |
x,y,z |
1_555 |
78 |
25 |
18489 |
726.5 |
-13.1 |
0.030 |
0 |
0 |
0 |
0.069 |
4 |
|
D |
78 |
24 |
18593 |
◊ |
C |
x,y,z |
1_555 |
80 |
25 |
18466 |
693.0 |
-12.6 |
0.037 |
2 |
0 |
0 |
0.069 |
Average: |
709.8 |
-12.9 |
0.034 |
1 |
0 |
0 |
0.069 |
3 |
5 |
|
C |
51 |
18 |
18466 |
◊ |
A |
x,y-1,z |
1_545 |
54 |
17 |
18489 |
520.1 |
-0.6 |
0.697 |
6 |
0 |
0 |
0.016 |
4 |
6 |
|
D |
44 |
17 |
18593 |
◊ |
B |
-x,y-1/2,-z |
2_545 |
42 |
17 |
18709 |
411.7 |
-5.6 |
0.187 |
2 |
0 |
0 |
0.000 |
5 |
7 |
|
D |
38 |
12 |
18593 |
◊ |
A |
-x,y-1/2,-z+1 |
2_546 |
36 |
14 |
18489 |
353.2 |
-5.5 |
0.119 |
1 |
0 |
0 |
0.000 |
8 |
|
C |
36 |
14 |
18466 |
◊ |
B |
-x+1,y-1/2,-z+1 |
2_646 |
41 |
14 |
18709 |
346.6 |
-5.6 |
0.123 |
1 |
0 |
0 |
0.000 |
Average: |
349.9 |
-5.6 |
0.121 |
1 |
0 |
0 |
0.000 |
6 |
9 |
|
D |
27 |
9 |
18593 |
◊ |
B |
x,y,z |
1_555 |
21 |
7 |
18709 |
206.8 |
0.6 |
0.737 |
2 |
0 |
0 |
0.000 |
7 |
10 |
|
D |
18 |
5 |
18593 |
◊ |
A |
x,y-1,z |
1_545 |
14 |
5 |
18489 |
172.1 |
0.7 |
0.749 |
2 |
0 |
0 |
0.002 |
11 |
|
C |
13 |
5 |
18466 |
◊ |
B |
x,y-1,z |
1_545 |
17 |
5 |
18709 |
169.4 |
0.8 |
0.763 |
3 |
0 |
0 |
0.002 |
Average: |
170.7 |
0.7 |
0.756 |
3 |
0 |
0 |
0.002 |
8 |
12 |
|
[NAG]D:498 |
11 |
1 |
362 |
cf |
D |
x,y,z |
1_555 |
16 |
7 |
18593 |
134.1 |
2.5 |
0.343 |
0 |
0 |
0 |
0.000 |
13 |
|
[NAG]B:498 |
11 |
1 |
365 |
cf |
B |
x,y,z |
1_555 |
15 |
6 |
18709 |
129.8 |
3.2 |
0.405 |
1 |
0 |
0 |
0.000 |
14 |
|
[NAG]C:498 |
11 |
1 |
361 |
cf |
C |
x,y,z |
1_555 |
18 |
7 |
18466 |
115.6 |
2.9 |
0.335 |
0 |
0 |
0 |
0.000 |
15 |
|
[NAG]A:498 |
11 |
1 |
359 |
cf |
A |
x,y,z |
1_555 |
13 |
5 |
18489 |
110.5 |
3.0 |
0.389 |
0 |
0 |
0 |
0.000 |
Average: |
122.5 |
2.9 |
0.368 |
0 |
0 |
0 |
0.000 |
9 |
16 |
|
[SO4]B:502 |
5 |
1 |
187 |
f |
B |
x,y,z |
1_555 |
17 |
7 |
18709 |
112.5 |
-16.0 |
0.810 |
2 |
0 |
0 |
0.078 |
10 |
17 |
|
[SO4]D:503 |
5 |
1 |
186 |
f |
D |
x,y,z |
1_555 |
19 |
7 |
18593 |
108.9 |
-15.2 |
0.888 |
1 |
0 |
0 |
0.080 |
11 |
18 |
|
[SO4]D:499 |
5 |
1 |
187 |
f |
D |
x,y,z |
1_555 |
17 |
6 |
18593 |
106.7 |
-17.3 |
0.639 |
5 |
0 |
0 |
0.100 |
12 |
19 |
|
[SO4]A:499 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
16 |
6 |
18489 |
106.5 |
-17.5 |
0.690 |
5 |
0 |
0 |
0.097 |
13 |
20 |
|
[SO4]C:500 |
5 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
14 |
6 |
18466 |
103.8 |
-16.8 |
0.662 |
5 |
0 |
0 |
0.097 |
14 |
21 |
|
[SO4]B:499 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
19 |
6 |
18709 |
103.8 |
-16.8 |
0.661 |
5 |
0 |
0 |
0.088 |
15 |
22 |
|
[SO4]A:502 |
5 |
1 |
187 |
f |
A |
x,y,z |
1_555 |
14 |
5 |
18489 |
96.4 |
-14.8 |
0.804 |
4 |
0 |
0 |
0.082 |
16 |
23 |
|
[SO4]B:501 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
10 |
6 |
18709 |
94.1 |
-13.1 |
0.891 |
5 |
0 |
0 |
0.071 |
17 |
24 |
|
[SO4]C:502 |
5 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
12 |
5 |
18466 |
94.1 |
-14.0 |
0.822 |
5 |
0 |
0 |
0.083 |
18 |
25 |
|
[SO4]C:501 |
5 |
1 |
187 |
f |
C |
x,y,z |
1_555 |
13 |
6 |
18466 |
93.5 |
-13.4 |
0.802 |
6 |
0 |
0 |
0.082 |
19 |
26 |
|
[SO4]A:501 |
5 |
1 |
187 |
f |
A |
x,y,z |
1_555 |
10 |
5 |
18489 |
91.4 |
-12.2 |
0.898 |
6 |
0 |
0 |
0.073 |
20 |
27 |
|
[SO4]D:501 |
5 |
1 |
186 |
f |
D |
x,y,z |
1_555 |
9 |
5 |
18593 |
90.4 |
-12.6 |
0.870 |
6 |
0 |
0 |
0.078 |
21 |
28 |
|
[SO4]B:505 |
5 |
1 |
188 |
f |
B |
x,y,z |
1_555 |
16 |
8 |
18709 |
89.1 |
-11.8 |
0.915 |
2 |
0 |
0 |
0.059 |
22 |
29 |
|
[SO4]C:504 |
5 |
1 |
187 |
f |
C |
x,y,z |
1_555 |
11 |
4 |
18466 |
88.6 |
-12.6 |
0.670 |
2 |
0 |
0 |
0.069 |
23 |
30 |
|
[SO4]A:506 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
9 |
4 |
18489 |
86.7 |
-12.2 |
0.722 |
2 |
0 |
0 |
0.064 |
24 |
31 |
|
[SO4]D:502 |
5 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
14 |
5 |
18593 |
86.0 |
-12.4 |
0.682 |
3 |
0 |
0 |
0.070 |
25 |
32 |
|
[SO4]B:503 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
14 |
5 |
18709 |
83.4 |
-11.4 |
0.770 |
2 |
0 |
0 |
0.057 |
26 |
33 |
|
[SO4]B:500 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
11 |
5 |
18709 |
77.8 |
-11.8 |
0.645 |
2 |
0 |
0 |
0.059 |
27 |
34 |
|
[SO4]A:505 |
5 |
1 |
188 |
f |
A |
x,y,z |
1_555 |
14 |
3 |
18489 |
76.8 |
-9.8 |
0.900 |
1 |
0 |
0 |
0.051 |
28 |
35 |
|
[SO4]D:500 |
4 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
11 |
5 |
18593 |
75.0 |
-11.6 |
0.632 |
3 |
0 |
0 |
0.066 |
29 |
36 |
|
[SO4]C:505 |
4 |
1 |
187 |
f |
C |
x,y,z |
1_555 |
5 |
3 |
18466 |
67.3 |
-8.4 |
0.909 |
4 |
0 |
0 |
0.052 |
30 |
37 |
|
[SO4]A:503 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
7 |
3 |
18489 |
66.8 |
-8.3 |
0.905 |
2 |
0 |
0 |
0.045 |
31 |
38 |
|
[SO4]B:504 |
4 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
5 |
3 |
18709 |
64.0 |
-8.3 |
0.926 |
3 |
0 |
0 |
0.045 |
32 |
39 |
|
C |
8 |
2 |
18466 |
x |
C |
-x+1,y-1/2,-z+1 |
2_646 |
5 |
3 |
18466 |
63.9 |
-1.1 |
0.187 |
0 |
0 |
0 |
0.000 |
40 |
|
A |
6 |
3 |
18489 |
x |
A |
-x,y-1/2,-z+1 |
2_546 |
7 |
2 |
18489 |
63.1 |
-1.1 |
0.218 |
0 |
0 |
0 |
0.000 |
Average: |
63.5 |
-1.1 |
0.202 |
0 |
0 |
0 |
0.000 |
33 |
41 |
|
[SO4]D:504 |
5 |
1 |
186 |
f |
D |
x,y,z |
1_555 |
6 |
3 |
18593 |
61.3 |
-8.4 |
0.911 |
3 |
0 |
0 |
0.050 |
34 |
42 |
|
[SO4]C:499 |
4 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
8 |
3 |
18466 |
60.6 |
-8.2 |
0.836 |
1 |
0 |
0 |
0.044 |
35 |
43 |
|
[SO4]A:500 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
9 |
4 |
18489 |
57.7 |
-7.6 |
0.847 |
1 |
0 |
0 |
0.040 |
36 |
44 |
|
[SO4]A:504 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
7 |
2 |
18489 |
54.7 |
-6.7 |
0.892 |
2 |
0 |
0 |
0.037 |
37 |
45 |
|
[SO4]C:503 |
5 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
7 |
3 |
18466 |
54.1 |
-6.3 |
0.911 |
2 |
0 |
0 |
0.037 |
38 |
46 |
|
C |
6 |
2 |
18466 |
◊ |
[SO4]A:500 |
x,y-1,z |
1_545 |
4 |
1 |
186 |
47.5 |
-5.8 |
0.907 |
2 |
0 |
0 |
0.033 |
39 |
47 |
|
[SO4]C:499 |
4 |
1 |
186 |
◊ |
A |
x,y-1,z |
1_545 |
5 |
2 |
18489 |
46.1 |
-5.0 |
0.958 |
2 |
0 |
0 |
0.029 |
40 |
48 |
|
[SO4]A:504 |
3 |
1 |
186 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
18709 |
33.3 |
-2.1 |
0.991 |
1 |
0 |
0 |
0.012 |
41 |
49 |
|
[SO4]B:499 |
3 |
1 |
186 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
18489 |
23.2 |
-2.7 |
0.875 |
1 |
0 |
0 |
0.015 |
42 |
50 |
|
[SO4]D:499 |
3 |
1 |
187 |
◊ |
C |
x,y,z |
1_555 |
2 |
1 |
18466 |
22.7 |
-2.7 |
0.833 |
1 |
0 |
0 |
0.016 |
43 |
51 |
|
[SO4]C:503 |
1 |
1 |
186 |
◊ |
D |
x,y,z |
1_555 |
2 |
1 |
18593 |
12.7 |
-1.4 |
0.802 |
0 |
0 |
0 |
0.007 |
44 |
52 |
|
[SO4]D:504 |
2 |
1 |
186 |
◊ |
C |
x,y,z |
1_555 |
3 |
1 |
18466 |
11.4 |
-1.5 |
0.729 |
0 |
0 |
0 |
0.007 |
45 |
53 |
|
[SO4]C:500 |
1 |
1 |
185 |
◊ |
D |
x,y,z |
1_555 |
1 |
1 |
18593 |
9.3 |
-1.0 |
0.819 |
0 |
0 |
0 |
0.005 |
46 |
54 |
|
[SO4]C:505 |
3 |
1 |
187 |
f |
[SO4]C:504 |
x,y,z |
1_555 |
1 |
1 |
187 |
7.9 |
-1.8 |
0.891 |
0 |
0 |
0 |
0.009 |
47 |
55 |
|
[SO4]B:504 |
4 |
1 |
186 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
18489 |
7.8 |
-0.4 |
0.910 |
0 |
0 |
0 |
0.002 |
48 |
56 |
|
[SO4]A:499 |
1 |
1 |
186 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
18709 |
6.6 |
-0.7 |
0.808 |
0 |
0 |
0 |
0.003 |
49 |
57 |
|
[SO4]B:504 |
1 |
1 |
186 |
f |
[SO4]B:503 |
x,y,z |
1_555 |
1 |
1 |
185 |
5.9 |
-1.4 |
0.800 |
0 |
0 |
0 |
0.007 |
50 |
58 |
|
[SO4]A:503 |
1 |
1 |
186 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
18709 |
4.3 |
-0.6 |
0.687 |
0 |
0 |
0 |
0.003 |
51 |
59 |
|
[SO4]A:506 |
1 |
1 |
186 |
f |
[SO4]A:503 |
x,y,z |
1_555 |
2 |
1 |
186 |
4.2 |
-1.0 |
1.000 |
0 |
0 |
0 |
0.005 |
52 |
60 |
|
[SO4]D:504 |
1 |
1 |
186 |
f |
[SO4]D:502 |
x,y,z |
1_555 |
1 |
1 |
185 |
3.3 |
-0.8 |
1.000 |
0 |
0 |
0 |
0.004 |
|