## |
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 |
112 |
35 |
18541 |
◊ |
B |
x,y,z |
1_555 |
103 |
31 |
18718 |
956.9 |
-10.2 |
0.163 |
1 |
1 |
0 |
0.000 |
2 |
|
D |
101 |
30 |
18785 |
◊ |
A |
x,y,z |
1_555 |
114 |
35 |
18461 |
946.2 |
-10.1 |
0.189 |
2 |
1 |
0 |
0.000 |
Average: |
951.5 |
-10.1 |
0.176 |
2 |
1 |
0 |
0.000 |
2 |
3 |
|
B |
77 |
24 |
18718 |
◊ |
A |
x,y,z |
1_555 |
70 |
24 |
18461 |
685.0 |
-11.1 |
0.049 |
4 |
0 |
0 |
0.058 |
4 |
|
D |
77 |
25 |
18785 |
◊ |
C |
x,y,z |
1_555 |
74 |
24 |
18541 |
665.1 |
-12.4 |
0.035 |
0 |
0 |
0 |
0.058 |
Average: |
675.0 |
-11.7 |
0.042 |
2 |
0 |
0 |
0.058 |
3 |
5 |
|
C |
53 |
19 |
18541 |
◊ |
A |
x,y-1,z |
1_545 |
52 |
19 |
18461 |
541.7 |
0.7 |
0.796 |
7 |
0 |
0 |
0.000 |
4 |
6 |
|
D |
49 |
21 |
18785 |
◊ |
B |
-x,y-1/2,-z |
2_545 |
46 |
18 |
18718 |
476.6 |
-4.9 |
0.254 |
4 |
0 |
0 |
0.000 |
5 |
7 |
|
C |
42 |
14 |
18541 |
◊ |
B |
-x+1,y-1/2,-z+1 |
2_646 |
42 |
13 |
18718 |
365.9 |
-5.4 |
0.177 |
2 |
0 |
0 |
0.000 |
8 |
|
D |
38 |
12 |
18785 |
◊ |
A |
-x,y-1/2,-z+1 |
2_546 |
40 |
15 |
18461 |
353.4 |
-5.2 |
0.181 |
1 |
0 |
0 |
0.000 |
Average: |
359.6 |
-5.3 |
0.179 |
2 |
0 |
0 |
0.000 |
6 |
9 |
|
[3RI]D:501 |
14 |
1 |
353 |
f |
D |
x,y,z |
1_555 |
41 |
17 |
18785 |
242.9 |
-1.2 |
0.559 |
14 |
0 |
0 |
0.032 |
10 |
|
[3RI]B:501 |
14 |
1 |
352 |
f |
B |
x,y,z |
1_555 |
39 |
17 |
18718 |
241.7 |
-1.1 |
0.537 |
12 |
0 |
0 |
0.032 |
Average: |
242.3 |
-1.2 |
0.548 |
13 |
0 |
0 |
0.032 |
7 |
11 |
|
D |
26 |
11 |
18785 |
◊ |
B |
x,y,z |
1_555 |
29 |
13 |
18718 |
186.3 |
0.5 |
0.724 |
2 |
0 |
0 |
0.000 |
8 |
12 |
|
C |
14 |
6 |
18541 |
◊ |
B |
x,y-1,z |
1_545 |
19 |
6 |
18718 |
172.2 |
0.3 |
0.698 |
2 |
0 |
0 |
0.000 |
13 |
|
D |
19 |
6 |
18785 |
◊ |
A |
x,y-1,z |
1_545 |
14 |
5 |
18461 |
170.9 |
0.4 |
0.722 |
2 |
0 |
0 |
0.000 |
Average: |
171.5 |
0.4 |
0.710 |
2 |
0 |
0 |
0.000 |
9 |
14 |
|
[NAG]C:510 |
11 |
1 |
366 |
f |
C |
x,y,z |
1_555 |
17 |
7 |
18541 |
122.3 |
2.6 |
0.325 |
1 |
0 |
0 |
0.000 |
15 |
|
[NAG]B:510 |
11 |
1 |
365 |
cf |
B |
x,y,z |
1_555 |
16 |
7 |
18718 |
116.6 |
2.5 |
0.316 |
0 |
0 |
0 |
0.000 |
16 |
|
[NAG]D:509 |
10 |
1 |
365 |
f |
D |
x,y,z |
1_555 |
14 |
6 |
18785 |
115.0 |
2.4 |
0.346 |
0 |
0 |
0 |
0.000 |
Average: |
118.0 |
2.5 |
0.329 |
0 |
0 |
0 |
0.000 |
10 |
17 |
|
[NAG]A:511 |
11 |
1 |
361 |
cf |
A |
x,y,z |
1_555 |
16 |
7 |
18461 |
114.4 |
2.9 |
0.367 |
0 |
0 |
0 |
0.000 |
11 |
18 |
|
[SO4]B:502 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
19 |
7 |
18718 |
109.8 |
-17.4 |
0.722 |
5 |
0 |
0 |
0.088 |
12 |
19 |
|
[SO4]D:502 |
5 |
1 |
187 |
f |
D |
x,y,z |
1_555 |
17 |
7 |
18785 |
107.1 |
-17.0 |
0.722 |
6 |
0 |
0 |
0.084 |
13 |
20 |
|
[SO4]A:501 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
16 |
7 |
18461 |
105.4 |
-16.2 |
0.828 |
5 |
0 |
0 |
0.083 |
14 |
21 |
|
[SO4]C:501 |
5 |
1 |
187 |
f |
C |
x,y,z |
1_555 |
16 |
6 |
18541 |
104.1 |
-17.1 |
0.665 |
6 |
0 |
0 |
0.085 |
15 |
22 |
|
[SO4]C:502 |
5 |
1 |
187 |
f |
C |
x,y,z |
1_555 |
12 |
6 |
18541 |
96.7 |
-13.9 |
0.868 |
5 |
0 |
0 |
0.069 |
16 |
23 |
|
[SO4]A:502 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
13 |
6 |
18461 |
96.7 |
-13.7 |
0.881 |
6 |
0 |
0 |
0.073 |
17 |
24 |
|
[SO4]B:508 |
5 |
1 |
187 |
f |
B |
x,y,z |
1_555 |
18 |
8 |
18718 |
96.6 |
-13.4 |
0.848 |
1 |
0 |
0 |
0.062 |
18 |
25 |
|
[SO4]B:503 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
11 |
6 |
18718 |
95.6 |
-13.4 |
0.899 |
6 |
0 |
0 |
0.072 |
19 |
26 |
|
[SO4]D:504 |
5 |
1 |
186 |
f |
D |
x,y,z |
1_555 |
11 |
6 |
18785 |
94.3 |
-13.5 |
0.888 |
5 |
0 |
0 |
0.068 |
20 |
27 |
|
[SO4]A:503 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
11 |
4 |
18461 |
90.0 |
-12.2 |
0.859 |
2 |
0 |
0 |
0.059 |
21 |
28 |
|
[SO4]C:504 |
5 |
1 |
187 |
f |
C |
x,y,z |
1_555 |
11 |
4 |
18541 |
90.0 |
-12.5 |
0.846 |
3 |
0 |
0 |
0.060 |
22 |
29 |
|
[SO4]A:506 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
14 |
6 |
18461 |
88.5 |
-12.2 |
0.754 |
2 |
0 |
0 |
0.059 |
23 |
30 |
|
[SO4]C:505 |
5 |
1 |
187 |
f |
C |
x,y,z |
1_555 |
12 |
5 |
18541 |
88.1 |
-12.3 |
0.740 |
2 |
0 |
0 |
0.057 |
24 |
31 |
|
[SO4]C:506 |
5 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
13 |
8 |
18541 |
87.8 |
-13.1 |
0.710 |
4 |
0 |
0 |
0.064 |
25 |
32 |
|
[SO4]D:505 |
5 |
1 |
186 |
f |
D |
x,y,z |
1_555 |
12 |
5 |
18785 |
86.4 |
-11.4 |
0.796 |
2 |
0 |
0 |
0.053 |
26 |
33 |
|
[SO4]B:506 |
5 |
1 |
187 |
f |
B |
x,y,z |
1_555 |
13 |
4 |
18718 |
84.0 |
-10.8 |
0.869 |
2 |
0 |
0 |
0.053 |
27 |
34 |
|
[SO4]B:505 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
12 |
5 |
18718 |
83.2 |
-11.5 |
0.689 |
1 |
0 |
0 |
0.054 |
28 |
35 |
|
[SO4]D:506 |
5 |
1 |
186 |
f |
D |
x,y,z |
1_555 |
12 |
3 |
18785 |
80.1 |
-10.4 |
0.896 |
1 |
0 |
0 |
0.047 |
29 |
36 |
|
[SO4]D:503 |
5 |
1 |
188 |
f |
D |
x,y,z |
1_555 |
11 |
5 |
18785 |
79.5 |
-12.0 |
0.641 |
2 |
0 |
0 |
0.055 |
30 |
37 |
|
[SO4]B:504 |
5 |
1 |
187 |
f |
B |
x,y,z |
1_555 |
11 |
5 |
18718 |
78.5 |
-11.6 |
0.637 |
2 |
0 |
0 |
0.056 |
31 |
38 |
|
[SO4]C:508 |
5 |
1 |
187 |
f |
C |
x,y,z |
1_555 |
12 |
4 |
18541 |
74.0 |
-8.1 |
0.903 |
2 |
0 |
0 |
0.039 |
32 |
39 |
|
[SO4]C:503 |
5 |
1 |
186 |
f |
B |
x,y-1,z |
1_545 |
6 |
3 |
18718 |
71.1 |
-7.2 |
0.974 |
4 |
0 |
0 |
0.040 |
33 |
40 |
|
A |
7 |
4 |
18461 |
x |
A |
-x,y-1/2,-z+1 |
2_546 |
8 |
2 |
18461 |
70.9 |
-1.1 |
0.245 |
0 |
0 |
0 |
0.000 |
41 |
|
C |
8 |
2 |
18541 |
x |
C |
-x+1,y-1/2,-z+1 |
2_646 |
6 |
3 |
18541 |
62.7 |
-1.2 |
0.212 |
0 |
0 |
0 |
0.000 |
Average: |
66.8 |
-1.1 |
0.228 |
0 |
0 |
0 |
0.000 |
34 |
42 |
|
[SO4]D:507 |
4 |
1 |
187 |
f |
D |
x,y,z |
1_555 |
5 |
3 |
18785 |
68.4 |
-8.9 |
0.920 |
3 |
0 |
0 |
0.044 |
35 |
43 |
|
[SO4]C:509 |
4 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
5 |
3 |
18541 |
66.7 |
-8.8 |
0.920 |
3 |
0 |
0 |
0.043 |
36 |
44 |
|
D |
5 |
3 |
18785 |
f |
[SO4]A:504 |
x,y-1,z |
1_545 |
5 |
1 |
187 |
66.5 |
-7.7 |
0.899 |
2 |
0 |
0 |
0.037 |
37 |
45 |
|
[SO4]B:509 |
4 |
1 |
187 |
f |
B |
x,y,z |
1_555 |
6 |
3 |
18718 |
66.5 |
-8.7 |
0.894 |
3 |
0 |
0 |
0.045 |
38 |
46 |
|
[SO4]A:507 |
4 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
5 |
3 |
18461 |
64.9 |
-8.2 |
0.924 |
3 |
0 |
0 |
0.043 |
39 |
47 |
|
[SO4]A:505 |
4 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
9 |
4 |
18461 |
63.3 |
-8.0 |
0.856 |
2 |
0 |
0 |
0.040 |
40 |
48 |
|
C |
7 |
3 |
18541 |
f |
[SO4]A:509 |
x,y-1,z |
1_545 |
4 |
1 |
186 |
60.6 |
-7.6 |
0.859 |
1 |
0 |
0 |
0.035 |
41 |
49 |
|
[SO4]A:508 |
4 |
1 |
187 |
f |
A |
x,y,z |
1_555 |
6 |
2 |
18461 |
58.5 |
-6.8 |
0.909 |
2 |
0 |
0 |
0.034 |
42 |
50 |
|
[SO4]A:509 |
4 |
1 |
186 |
◊ |
A |
x,y,z |
1_555 |
6 |
2 |
18461 |
55.7 |
-6.8 |
0.914 |
1 |
0 |
0 |
0.000 |
43 |
51 |
|
[SO4]C:507 |
4 |
1 |
188 |
f |
C |
x,y,z |
1_555 |
4 |
2 |
18541 |
55.7 |
-6.4 |
0.920 |
2 |
0 |
0 |
0.031 |
44 |
52 |
|
[SO4]C:503 |
4 |
1 |
186 |
◊ |
C |
x,y,z |
1_555 |
5 |
3 |
18541 |
53.8 |
-6.2 |
0.906 |
3 |
0 |
0 |
0.000 |
45 |
53 |
|
[SO4]A:504 |
4 |
1 |
187 |
◊ |
A |
x,y,z |
1_555 |
3 |
2 |
18461 |
52.4 |
-6.1 |
0.938 |
2 |
0 |
0 |
0.000 |
46 |
54 |
|
C |
6 |
2 |
18541 |
◊ |
[SO4]A:505 |
x,y-1,z |
1_545 |
5 |
1 |
186 |
50.1 |
-6.0 |
0.895 |
2 |
0 |
0 |
0.000 |
47 |
55 |
|
[SO4]A:510 |
4 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
4 |
2 |
18461 |
46.0 |
-3.8 |
0.984 |
2 |
0 |
0 |
0.021 |
48 |
56 |
|
[SO4]D:508 |
4 |
1 |
187 |
f |
D |
x,y,z |
1_555 |
4 |
2 |
18785 |
45.9 |
-3.6 |
0.989 |
2 |
0 |
0 |
0.019 |
49 |
57 |
|
[SO4]B:507 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
5 |
2 |
18718 |
42.4 |
-3.2 |
0.985 |
2 |
0 |
0 |
0.018 |
50 |
58 |
|
[SO4]A:501 |
1 |
1 |
186 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
18718 |
14.6 |
-1.7 |
0.790 |
0 |
0 |
0 |
0.007 |
51 |
59 |
|
[SO4]C:501 |
1 |
1 |
187 |
◊ |
D |
x,y,z |
1_555 |
2 |
1 |
18785 |
13.5 |
-1.6 |
0.751 |
0 |
0 |
0 |
0.007 |
52 |
60 |
|
[SO4]B:509 |
4 |
1 |
187 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
18461 |
13.4 |
-0.7 |
0.983 |
0 |
0 |
0 |
0.003 |
53 |
61 |
|
[SO4]A:507 |
3 |
1 |
186 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
18718 |
13.1 |
-0.9 |
0.931 |
0 |
0 |
0 |
0.004 |
54 |
62 |
|
[SO4]D:502 |
1 |
1 |
187 |
◊ |
C |
x,y,z |
1_555 |
2 |
1 |
18541 |
13.1 |
-1.5 |
0.795 |
0 |
0 |
0 |
0.006 |
55 |
63 |
|
[SO4]D:507 |
3 |
1 |
187 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
18541 |
11.8 |
-0.6 |
0.976 |
0 |
0 |
0 |
0.003 |
56 |
64 |
|
[SO4]C:509 |
3 |
1 |
186 |
◊ |
D |
x,y,z |
1_555 |
2 |
1 |
18785 |
10.2 |
-1.1 |
0.694 |
0 |
0 |
0 |
0.005 |
57 |
65 |
|
[SO4]D:507 |
1 |
1 |
187 |
f |
[SO4]D:505 |
x,y,z |
1_555 |
1 |
1 |
186 |
9.3 |
-2.2 |
0.800 |
0 |
0 |
0 |
0.010 |
58 |
66 |
|
C |
2 |
1 |
18541 |
◊ |
[NAG]C:510 |
-x+1,y-1/2,-z+1 |
2_646 |
1 |
1 |
366 |
8.2 |
0.3 |
0.516 |
0 |
0 |
0 |
0.000 |
59 |
67 |
|
[SO4]B:502 |
3 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
18461 |
7.8 |
-0.6 |
0.907 |
0 |
0 |
0 |
0.003 |
60 |
68 |
|
[SO4]D:508 |
1 |
1 |
187 |
f |
[SO4]D:504 |
x,y,z |
1_555 |
1 |
1 |
186 |
7.7 |
-1.8 |
0.800 |
0 |
0 |
0 |
0.008 |
61 |
69 |
|
[SO4]D:506 |
1 |
1 |
186 |
◊ |
B |
-x,y-1/2,-z |
2_545 |
1 |
1 |
18718 |
6.4 |
-0.7 |
0.819 |
0 |
0 |
0 |
0.000 |
62 |
70 |
|
[SO4]C:509 |
1 |
1 |
186 |
f |
[SO4]C:505 |
x,y,z |
1_555 |
1 |
1 |
187 |
6.1 |
-1.5 |
0.800 |
0 |
0 |
0 |
0.006 |
63 |
71 |
|
[SO4]A:510 |
1 |
1 |
186 |
f |
[SO4]A:502 |
x,y,z |
1_555 |
1 |
1 |
186 |
6.0 |
-1.4 |
0.800 |
0 |
0 |
0 |
0.006 |
64 |
72 |
|
[SO4]B:509 |
1 |
1 |
187 |
f |
[SO4]B:505 |
x,y,z |
1_555 |
1 |
1 |
186 |
4.9 |
-1.2 |
0.800 |
0 |
0 |
0 |
0.005 |
65 |
73 |
|
[SO4]A:507 |
1 |
1 |
186 |
f |
[SO4]A:506 |
x,y,z |
1_555 |
1 |
1 |
186 |
4.8 |
-1.1 |
0.800 |
0 |
0 |
0 |
0.005 |
66 |
74 |
|
D |
1 |
1 |
18785 |
◊ |
[SO4]B:506 |
-x,y-1/2,-z |
2_545 |
1 |
1 |
187 |
4.7 |
-0.5 |
0.810 |
0 |
0 |
0 |
0.000 |
67 |
75 |
|
[SO4]B:507 |
1 |
1 |
185 |
f |
[SO4]B:503 |
x,y,z |
1_555 |
1 |
1 |
186 |
2.1 |
-0.5 |
1.000 |
0 |
0 |
0 |
0.002 |
68 |
76 |
|
[SO4]C:508 |
1 |
1 |
187 |
f |
[SO4]C:505 |
x,y,z |
1_555 |
1 |
1 |
187 |
0.4 |
-0.1 |
1.000 |
0 |
0 |
0 |
0.000 |
|