## |
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 |
18611 |
◊ |
B |
x,y,z |
1_555 |
105 |
32 |
18809 |
986.5 |
-11.1 |
0.147 |
3 |
1 |
0 |
0.046 |
2 |
|
D |
101 |
31 |
18648 |
◊ |
A |
x,y,z |
1_555 |
110 |
35 |
18544 |
966.7 |
-10.0 |
0.175 |
2 |
1 |
0 |
0.046 |
Average: |
976.6 |
-10.5 |
0.161 |
3 |
1 |
0 |
0.046 |
2 |
3 |
|
B |
73 |
24 |
18809 |
◊ |
A |
x,y,z |
1_555 |
72 |
22 |
18544 |
638.5 |
-13.0 |
0.022 |
3 |
0 |
0 |
0.059 |
4 |
|
D |
72 |
21 |
18648 |
◊ |
C |
x,y,z |
1_555 |
69 |
22 |
18611 |
629.6 |
-12.4 |
0.022 |
2 |
0 |
0 |
0.059 |
Average: |
634.0 |
-12.7 |
0.022 |
3 |
0 |
0 |
0.059 |
3 |
5 |
|
C |
57 |
18 |
18611 |
◊ |
A |
x,y-1,z |
1_545 |
54 |
19 |
18544 |
516.7 |
1.9 |
0.863 |
8 |
0 |
0 |
0.003 |
4 |
6 |
|
D |
47 |
18 |
18648 |
◊ |
B |
-x,y-1/2,-z |
2_545 |
49 |
19 |
18809 |
434.3 |
-4.3 |
0.298 |
4 |
0 |
0 |
0.000 |
5 |
7 |
|
D |
36 |
12 |
18648 |
◊ |
A |
-x,y-1/2,-z+1 |
2_546 |
36 |
14 |
18544 |
340.5 |
-6.2 |
0.077 |
1 |
0 |
0 |
0.000 |
8 |
|
C |
36 |
13 |
18611 |
◊ |
B |
-x+1,y-1/2,-z+1 |
2_646 |
38 |
12 |
18809 |
332.1 |
-6.2 |
0.080 |
1 |
0 |
0 |
0.000 |
Average: |
336.3 |
-6.2 |
0.079 |
1 |
0 |
0 |
0.000 |
6 |
9 |
|
[3RK]B:509 |
11 |
1 |
292 |
f |
B |
x,y,z |
1_555 |
32 |
14 |
18809 |
198.2 |
-0.7 |
0.521 |
8 |
0 |
0 |
0.018 |
10 |
|
[3RK]D:509 |
11 |
1 |
292 |
f |
D |
x,y,z |
1_555 |
32 |
14 |
18648 |
185.4 |
-0.8 |
0.525 |
8 |
0 |
0 |
0.018 |
Average: |
191.8 |
-0.8 |
0.523 |
8 |
0 |
0 |
0.018 |
7 |
11 |
|
[3RK]A:513 |
11 |
1 |
290 |
f |
A |
x,y,z |
1_555 |
33 |
15 |
18544 |
189.5 |
-0.2 |
0.588 |
6 |
0 |
0 |
0.012 |
8 |
12 |
|
[3RK]C:513 |
11 |
1 |
288 |
f |
C |
x,y,z |
1_555 |
32 |
14 |
18611 |
186.0 |
-0.1 |
0.610 |
6 |
0 |
0 |
0.011 |
9 |
13 |
|
D |
20 |
6 |
18648 |
◊ |
A |
x,y-1,z |
1_545 |
14 |
6 |
18544 |
182.5 |
0.5 |
0.725 |
2 |
0 |
0 |
0.000 |
14 |
|
C |
17 |
7 |
18611 |
◊ |
B |
x,y-1,z |
1_545 |
20 |
7 |
18809 |
180.8 |
0.9 |
0.767 |
2 |
0 |
0 |
0.000 |
Average: |
181.7 |
0.7 |
0.746 |
2 |
0 |
0 |
0.001 |
10 |
15 |
|
D |
20 |
8 |
18648 |
◊ |
B |
x,y,z |
1_555 |
20 |
7 |
18809 |
157.7 |
-0.0 |
0.645 |
2 |
0 |
0 |
0.002 |
11 |
16 |
|
[SO4]C:511 |
5 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
26 |
13 |
18611 |
120.6 |
-20.2 |
0.650 |
1 |
0 |
0 |
0.085 |
12 |
17 |
|
[NAG]B:508 |
11 |
1 |
366 |
cf |
B |
x,y,z |
1_555 |
17 |
6 |
18809 |
120.2 |
2.7 |
0.327 |
0 |
0 |
0 |
0.000 |
18 |
|
[NAG]A:512 |
11 |
1 |
368 |
cf |
A |
x,y,z |
1_555 |
15 |
7 |
18544 |
117.9 |
3.0 |
0.357 |
0 |
0 |
0 |
0.000 |
19 |
|
[NAG]C:512 |
10 |
1 |
369 |
cf |
C |
x,y,z |
1_555 |
15 |
6 |
18611 |
117.1 |
2.9 |
0.377 |
0 |
0 |
0 |
0.000 |
Average: |
118.4 |
2.8 |
0.353 |
0 |
0 |
0 |
0.000 |
13 |
20 |
|
[NAG]D:508 |
11 |
1 |
364 |
f |
D |
x,y,z |
1_555 |
12 |
6 |
18648 |
114.6 |
2.4 |
0.282 |
0 |
0 |
0 |
0.000 |
14 |
21 |
|
[SO4]B:501 |
5 |
1 |
187 |
f |
B |
x,y,z |
1_555 |
16 |
7 |
18809 |
109.2 |
-17.2 |
0.689 |
5 |
0 |
0 |
0.080 |
15 |
22 |
|
[SO4]D:501 |
5 |
1 |
186 |
f |
D |
x,y,z |
1_555 |
17 |
7 |
18648 |
108.1 |
-17.1 |
0.676 |
4 |
0 |
0 |
0.077 |
16 |
23 |
|
[SO4]A:501 |
5 |
1 |
187 |
f |
A |
x,y,z |
1_555 |
14 |
7 |
18544 |
106.0 |
-16.0 |
0.866 |
5 |
0 |
0 |
0.075 |
17 |
24 |
|
[SO4]C:501 |
5 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
16 |
6 |
18611 |
103.9 |
-16.9 |
0.683 |
5 |
0 |
0 |
0.078 |
18 |
25 |
|
[SO4]C:508 |
5 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
12 |
5 |
18611 |
95.3 |
-14.6 |
0.825 |
5 |
0 |
0 |
0.069 |
19 |
26 |
|
[SO4]C:502 |
5 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
12 |
6 |
18611 |
94.1 |
-13.2 |
0.873 |
5 |
0 |
0 |
0.063 |
20 |
27 |
|
[SO4]B:502 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
12 |
6 |
18809 |
93.4 |
-12.9 |
0.882 |
5 |
0 |
0 |
0.062 |
21 |
28 |
|
[SO4]A:503 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
10 |
5 |
18544 |
93.4 |
-13.1 |
0.881 |
5 |
0 |
0 |
0.063 |
22 |
29 |
|
[SO4]D:502 |
5 |
1 |
186 |
f |
D |
x,y,z |
1_555 |
11 |
6 |
18648 |
91.8 |
-12.6 |
0.884 |
6 |
0 |
0 |
0.062 |
23 |
30 |
|
[SO4]D:506 |
5 |
1 |
186 |
f |
D |
x,y,z |
1_555 |
17 |
8 |
18648 |
90.8 |
-12.2 |
0.819 |
1 |
0 |
0 |
0.052 |
24 |
31 |
|
[SO4]C:503 |
5 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
10 |
5 |
18611 |
90.6 |
-12.8 |
0.833 |
4 |
0 |
0 |
0.060 |
25 |
32 |
|
[SO4]B:507 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
12 |
5 |
18809 |
90.5 |
-12.3 |
0.834 |
3 |
0 |
0 |
0.056 |
26 |
33 |
|
[SO4]A:502 |
5 |
1 |
187 |
f |
A |
x,y,z |
1_555 |
11 |
5 |
18544 |
88.5 |
-11.9 |
0.869 |
3 |
0 |
0 |
0.054 |
27 |
34 |
|
[SO4]A:506 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
14 |
5 |
18544 |
88.5 |
-12.3 |
0.758 |
2 |
0 |
0 |
0.054 |
28 |
35 |
|
[SO4]C:506 |
5 |
1 |
187 |
f |
C |
x,y,z |
1_555 |
15 |
6 |
18611 |
87.9 |
-12.4 |
0.710 |
1 |
0 |
0 |
0.052 |
29 |
36 |
|
[SO4]B:504 |
5 |
1 |
187 |
f |
B |
x,y,z |
1_555 |
13 |
6 |
18809 |
86.6 |
-11.8 |
0.748 |
1 |
0 |
0 |
0.050 |
30 |
37 |
|
[SO4]D:504 |
5 |
1 |
186 |
f |
D |
x,y,z |
1_555 |
12 |
5 |
18648 |
85.8 |
-11.1 |
0.809 |
1 |
0 |
0 |
0.000 |
31 |
38 |
|
[SO4]A:507 |
5 |
1 |
187 |
f |
A |
x,y,z |
1_555 |
11 |
3 |
18544 |
81.7 |
-10.2 |
0.928 |
3 |
0 |
0 |
0.047 |
32 |
39 |
|
[SO4]B:505 |
5 |
1 |
187 |
f |
B |
x,y,z |
1_555 |
11 |
3 |
18809 |
79.9 |
-10.3 |
0.884 |
1 |
0 |
0 |
0.044 |
33 |
40 |
|
[SO4]D:505 |
5 |
1 |
187 |
f |
D |
x,y,z |
1_555 |
12 |
3 |
18648 |
78.7 |
-9.8 |
0.899 |
2 |
0 |
0 |
0.044 |
34 |
41 |
|
[SO4]C:507 |
5 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
11 |
3 |
18611 |
78.6 |
-9.7 |
0.946 |
3 |
0 |
0 |
0.045 |
35 |
42 |
|
[SO4]D:503 |
5 |
1 |
187 |
f |
D |
x,y,z |
1_555 |
11 |
5 |
18648 |
77.5 |
-11.7 |
0.652 |
2 |
0 |
0 |
0.052 |
36 |
43 |
|
[SO4]B:503 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
11 |
5 |
18809 |
77.5 |
-11.4 |
0.658 |
2 |
0 |
0 |
0.050 |
37 |
44 |
|
[SO4]B:506 |
4 |
1 |
188 |
f |
B |
x,y,z |
1_555 |
5 |
3 |
18809 |
67.2 |
-8.6 |
0.925 |
3 |
0 |
0 |
0.041 |
38 |
45 |
|
[SO4]A:510 |
5 |
1 |
187 |
f |
A |
x,y,z |
1_555 |
8 |
3 |
18544 |
66.8 |
-9.7 |
0.546 |
0 |
0 |
0 |
0.040 |
39 |
46 |
|
D |
5 |
3 |
18648 |
f |
[SO4]A:505 |
x,y-1,z |
1_545 |
5 |
1 |
186 |
66.7 |
-6.9 |
0.948 |
3 |
0 |
0 |
0.034 |
40 |
47 |
|
[SO4]A:508 |
5 |
1 |
187 |
f |
A |
x,y,z |
1_555 |
5 |
3 |
18544 |
65.9 |
-8.3 |
0.923 |
2 |
0 |
0 |
0.038 |
41 |
48 |
|
[SO4]D:507 |
4 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
6 |
3 |
18648 |
65.7 |
-8.5 |
0.900 |
3 |
0 |
0 |
0.040 |
42 |
49 |
|
[SO4]C:504 |
4 |
1 |
187 |
f |
C |
x,y,z |
1_555 |
7 |
4 |
18611 |
65.3 |
-8.4 |
0.821 |
2 |
0 |
0 |
0.038 |
43 |
50 |
|
[SO4]C:509 |
5 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
6 |
3 |
18611 |
65.0 |
-8.3 |
0.872 |
2 |
0 |
0 |
0.038 |
44 |
51 |
|
C |
8 |
2 |
18611 |
x |
C |
-x+1,y-1/2,-z+1 |
2_646 |
6 |
3 |
18611 |
64.5 |
-1.4 |
0.196 |
0 |
0 |
0 |
0.000 |
52 |
|
A |
6 |
3 |
18544 |
x |
A |
-x,y-1/2,-z+1 |
2_546 |
8 |
2 |
18544 |
63.1 |
-1.4 |
0.199 |
0 |
0 |
0 |
0.000 |
Average: |
63.8 |
-1.4 |
0.198 |
0 |
0 |
0 |
0.000 |
45 |
53 |
|
[SO4]C:505 |
4 |
1 |
185 |
f |
B |
x,y-1,z |
1_545 |
4 |
2 |
18809 |
64.4 |
-6.2 |
0.970 |
3 |
0 |
0 |
0.031 |
46 |
54 |
|
[SO4]A:504 |
4 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
7 |
4 |
18544 |
64.3 |
-8.0 |
0.832 |
2 |
0 |
0 |
0.037 |
47 |
55 |
|
[SO4]A:511 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
10 |
3 |
18544 |
62.7 |
-8.2 |
0.771 |
1 |
0 |
0 |
0.035 |
48 |
56 |
|
[SO4]C:510 |
4 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
7 |
3 |
18611 |
55.8 |
-6.2 |
0.900 |
2 |
0 |
0 |
0.029 |
49 |
57 |
|
[SO4]C:505 |
4 |
1 |
185 |
◊ |
C |
x,y,z |
1_555 |
3 |
2 |
18611 |
55.1 |
-6.2 |
0.936 |
2 |
0 |
0 |
0.014 |
50 |
58 |
|
[SO4]A:509 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
6 |
3 |
18544 |
53.6 |
-6.1 |
0.911 |
2 |
0 |
0 |
0.029 |
51 |
59 |
|
[SO4]A:505 |
5 |
1 |
186 |
◊ |
A |
x,y,z |
1_555 |
4 |
3 |
18544 |
51.2 |
-5.9 |
0.936 |
2 |
0 |
0 |
0.013 |
52 |
60 |
|
[SO4]C:504 |
4 |
1 |
187 |
◊ |
A |
x,y-1,z |
1_545 |
6 |
2 |
18544 |
46.3 |
-5.2 |
0.932 |
2 |
0 |
0 |
0.012 |
53 |
61 |
|
C |
6 |
2 |
18611 |
◊ |
[SO4]A:504 |
x,y-1,z |
1_545 |
5 |
1 |
186 |
44.7 |
-5.1 |
0.905 |
2 |
0 |
0 |
0.012 |
54 |
62 |
|
D |
2 |
1 |
18648 |
◊ |
[SO4]A:511 |
-x,y-1/2,-z+1 |
2_546 |
4 |
1 |
186 |
29.4 |
-2.3 |
0.971 |
1 |
0 |
0 |
0.000 |
55 |
63 |
|
[SO4]B:506 |
3 |
1 |
188 |
◊ |
[SO4]A:510 |
x,y,z |
1_555 |
4 |
1 |
187 |
20.5 |
-4.6 |
0.995 |
0 |
0 |
0 |
0.019 |
56 |
64 |
|
[SO4]B:501 |
1 |
1 |
187 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
18544 |
12.8 |
-1.5 |
0.778 |
0 |
0 |
0 |
0.006 |
57 |
65 |
|
[SO4]D:501 |
1 |
1 |
186 |
◊ |
C |
x,y,z |
1_555 |
2 |
1 |
18611 |
11.9 |
-1.6 |
0.608 |
0 |
0 |
0 |
0.007 |
58 |
66 |
|
[SO4]A:501 |
1 |
1 |
187 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
18809 |
11.1 |
-1.3 |
0.761 |
0 |
0 |
0 |
0.005 |
59 |
67 |
|
[SO4]C:501 |
1 |
1 |
185 |
◊ |
D |
x,y,z |
1_555 |
2 |
1 |
18648 |
10.1 |
-1.2 |
0.647 |
0 |
0 |
0 |
0.005 |
60 |
68 |
|
[SO4]A:508 |
1 |
1 |
187 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
18809 |
9.1 |
-1.2 |
0.656 |
0 |
0 |
0 |
0.005 |
61 |
69 |
|
[SO4]B:506 |
4 |
1 |
188 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
18544 |
8.0 |
-0.8 |
0.486 |
0 |
0 |
0 |
0.003 |
62 |
70 |
|
[SO4]B:506 |
1 |
1 |
188 |
f |
[SO4]B:504 |
x,y,z |
1_555 |
1 |
1 |
187 |
7.9 |
-1.9 |
0.800 |
0 |
0 |
0 |
0.008 |
63 |
71 |
|
[SO4]D:507 |
1 |
1 |
185 |
f |
[SO4]D:504 |
x,y,z |
1_555 |
1 |
1 |
186 |
7.0 |
-1.7 |
0.800 |
0 |
0 |
0 |
0.000 |
64 |
72 |
|
[SO4]C:509 |
1 |
1 |
186 |
◊ |
D |
x,y,z |
1_555 |
2 |
1 |
18648 |
6.9 |
-0.9 |
0.591 |
0 |
0 |
0 |
0.004 |
65 |
73 |
|
[SO4]B:501 |
1 |
1 |
187 |
◊ |
[SO4]A:510 |
x,y,z |
1_555 |
1 |
1 |
187 |
3.7 |
-0.9 |
1.000 |
0 |
0 |
0 |
0.004 |
66 |
74 |
|
[SO4]C:509 |
1 |
1 |
186 |
f |
[SO4]C:506 |
x,y,z |
1_555 |
1 |
1 |
187 |
3.7 |
-0.9 |
1.000 |
0 |
0 |
0 |
0.004 |
67 |
75 |
|
C |
1 |
1 |
18611 |
◊ |
[NAG]C:512 |
-x+1,y-1/2,-z+1 |
2_646 |
1 |
1 |
369 |
3.3 |
0.1 |
0.525 |
0 |
0 |
0 |
0.000 |
76 |
|
[NAG]A:512 |
1 |
1 |
368 |
◊ |
A |
-x,y-1/2,-z+1 |
2_546 |
1 |
1 |
18544 |
2.8 |
0.1 |
0.522 |
0 |
0 |
0 |
0.000 |
Average: |
3.1 |
0.1 |
0.524 |
0 |
0 |
0 |
0.000 |
68 |
77 |
|
[SO4]A:508 |
3 |
1 |
187 |
f |
[SO4]A:506 |
x,y,z |
1_555 |
1 |
1 |
186 |
3.3 |
-0.6 |
1.000 |
0 |
0 |
0 |
0.003 |
69 |
78 |
|
D |
1 |
1 |
18648 |
◊ |
[SO4]B:505 |
-x,y-1/2,-z |
2_545 |
1 |
1 |
187 |
3.1 |
-0.3 |
0.890 |
0 |
0 |
0 |
0.000 |
70 |
79 |
|
[SO4]D:507 |
1 |
1 |
185 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
18611 |
0.6 |
-0.0 |
0.870 |
0 |
0 |
0 |
0.000 |
|