## |
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 |
|
D |
212 |
50 |
7367 |
◊ |
B |
x,y,z |
1_555 |
210 |
50 |
7083 |
2000.5 |
-44.3 |
0.096 |
10 |
5 |
0 |
0.496 |
2 |
|
C |
217 |
50 |
7151 |
◊ |
A |
x,y,z |
1_555 |
211 |
51 |
7176 |
1952.4 |
-43.0 |
0.115 |
8 |
4 |
0 |
0.496 |
Average: |
1976.5 |
-43.6 |
0.105 |
9 |
5 |
0 |
0.496 |
2 |
3 |
|
D |
39 |
13 |
7367 |
◊ |
C |
x-1/2,y-1/2,z |
5_445 |
46 |
15 |
7151 |
464.4 |
-1.7 |
0.817 |
7 |
0 |
0 |
0.084 |
3 |
4 |
|
D |
43 |
13 |
7367 |
◊ |
A |
x,y,z |
1_555 |
44 |
13 |
7176 |
383.2 |
-2.1 |
0.808 |
1 |
1 |
0 |
0.000 |
4 |
5 |
|
C |
39 |
12 |
7151 |
◊ |
C |
-x+1,y,-z-1/2 |
3_654 |
39 |
12 |
7151 |
354.7 |
-3.7 |
0.682 |
0 |
0 |
0 |
0.000 |
5 |
6 |
|
B |
27 |
9 |
7083 |
◊ |
A |
x-1/2,y-1/2,z |
5_445 |
28 |
10 |
7176 |
283.2 |
-4.9 |
0.445 |
2 |
0 |
0 |
0.000 |
6 |
7 |
|
C |
30 |
9 |
7151 |
◊ |
B |
x,y,z |
1_555 |
33 |
10 |
7083 |
242.3 |
-2.1 |
0.734 |
0 |
0 |
0 |
0.000 |
8 |
|
A |
29 |
7 |
7176 |
◊ |
A |
-x+1,y,-z-1/2 |
3_654 |
29 |
7 |
7176 |
230.8 |
-2.7 |
0.652 |
0 |
0 |
0 |
0.000 |
Average: |
236.5 |
-2.4 |
0.693 |
0 |
0 |
0 |
0.000 |
7 |
9 |
|
D |
16 |
6 |
7367 |
◊ |
B |
x-1/2,y+1/2,z |
5_455 |
22 |
6 |
7083 |
167.4 |
-2.3 |
0.592 |
1 |
0 |
0 |
0.000 |
8 |
10 |
|
D |
20 |
5 |
7367 |
◊ |
B |
x-1/2,-y-1/2,-z |
8_445 |
16 |
5 |
7083 |
156.7 |
-0.8 |
0.697 |
1 |
0 |
0 |
0.000 |
9 |
11 |
|
B |
16 |
6 |
7083 |
◊ |
A |
x,y,z |
1_555 |
16 |
7 |
7176 |
122.8 |
2.1 |
0.937 |
3 |
1 |
0 |
0.000 |
12 |
|
D |
14 |
6 |
7367 |
◊ |
C |
x,y,z |
1_555 |
15 |
5 |
7151 |
109.0 |
1.6 |
0.904 |
2 |
0 |
0 |
0.000 |
13 |
|
C |
13 |
7 |
7151 |
◊ |
A |
-x+1,y,-z-1/2 |
3_654 |
15 |
6 |
7176 |
105.9 |
1.5 |
0.901 |
2 |
0 |
0 |
0.000 |
Average: |
112.5 |
1.8 |
0.914 |
2 |
0 |
0 |
0.000 |
10 |
14 |
|
B |
13 |
5 |
7083 |
◊ |
C |
x-1,y,z |
1_455 |
17 |
6 |
7151 |
108.7 |
-1.4 |
0.639 |
0 |
0 |
0 |
0.000 |
11 |
15 |
|
[ACT]B:105 |
4 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
17 |
6 |
7083 |
102.1 |
-0.1 |
0.807 |
3 |
0 |
0 |
0.014 |
12 |
16 |
|
D |
13 |
3 |
7367 |
◊ |
D |
x,-y,-z |
4_555 |
13 |
3 |
7367 |
101.2 |
-1.4 |
0.592 |
0 |
0 |
0 |
0.000 |
13 |
17 |
|
[SO4]B:101 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
14 |
8 |
7083 |
97.0 |
-15.1 |
0.802 |
5 |
0 |
0 |
0.174 |
14 |
18 |
|
[SO4]D:101 |
5 |
1 |
186 |
f |
D |
x,y,z |
1_555 |
18 |
5 |
7367 |
85.8 |
-11.9 |
0.890 |
5 |
0 |
0 |
0.246 |
15 |
19 |
|
[ACT]D:105 |
4 |
1 |
184 |
◊ |
D |
x,y,z |
1_555 |
13 |
6 |
7367 |
81.7 |
-1.0 |
0.656 |
0 |
0 |
0 |
0.010 |
16 |
20 |
|
[ACT]A:102 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
10 |
4 |
7176 |
78.9 |
-0.9 |
0.668 |
0 |
0 |
0 |
0.009 |
17 |
21 |
|
[SO4]B:102 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
9 |
4 |
7083 |
78.2 |
-9.0 |
0.982 |
5 |
0 |
0 |
0.113 |
18 |
22 |
|
[SO4]D:102 |
5 |
1 |
184 |
f |
C |
x-1/2,y-1/2,z |
5_445 |
9 |
5 |
7151 |
74.8 |
-9.7 |
0.890 |
3 |
0 |
0 |
0.193 |
19 |
23 |
|
D |
8 |
3 |
7367 |
◊ |
C |
x-1/2,-y+1/2,-z |
8_455 |
9 |
4 |
7151 |
74.1 |
0.7 |
0.826 |
0 |
0 |
0 |
0.000 |
20 |
24 |
|
[SO4]C:101 |
5 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
13 |
5 |
7151 |
73.7 |
-10.0 |
0.894 |
2 |
0 |
0 |
0.191 |
21 |
25 |
|
A |
9 |
4 |
7176 |
x |
A |
x-1,y,z |
1_455 |
8 |
3 |
7176 |
72.4 |
-1.8 |
0.411 |
0 |
0 |
0 |
0.000 |
22 |
26 |
|
[ACT]A:106 |
4 |
1 |
183 |
◊ |
A |
x,y,z |
1_555 |
13 |
6 |
7176 |
71.5 |
-0.9 |
0.634 |
0 |
0 |
0 |
0.009 |
23 |
27 |
|
[SO4]C:102 |
5 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
11 |
3 |
7176 |
71.3 |
-10.2 |
0.835 |
1 |
0 |
0 |
0.110 |
24 |
28 |
|
[ACT]A:101 |
4 |
1 |
183 |
f |
C |
x,y,z |
1_555 |
11 |
3 |
7151 |
70.3 |
-0.5 |
0.733 |
1 |
0 |
0 |
0.017 |
25 |
29 |
|
[ACT]D:105 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
16 |
5 |
7083 |
70.3 |
-1.0 |
0.634 |
0 |
0 |
0 |
0.010 |
26 |
30 |
|
[ACT]A:103 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
11 |
5 |
7176 |
69.8 |
-1.1 |
0.647 |
1 |
0 |
0 |
0.016 |
27 |
31 |
|
B |
12 |
3 |
7083 |
◊ |
A |
x-1,y,z |
1_455 |
4 |
1 |
7176 |
69.7 |
-2.2 |
0.077 |
0 |
0 |
0 |
0.000 |
28 |
32 |
|
[ACT]B:104 |
4 |
1 |
183 |
◊ |
B |
x,y,z |
1_555 |
14 |
6 |
7083 |
69.4 |
-0.7 |
0.678 |
0 |
0 |
0 |
0.008 |
33 |
|
[ACT]C:104 |
4 |
1 |
183 |
◊ |
C |
x,y,z |
1_555 |
14 |
7 |
7151 |
68.8 |
-0.8 |
0.645 |
0 |
0 |
0 |
0.008 |
Average: |
69.1 |
-0.8 |
0.661 |
0 |
0 |
0 |
0.008 |
29 |
34 |
|
B |
6 |
3 |
7083 |
x |
B |
x-1/2,y+1/2,z |
5_455 |
7 |
4 |
7083 |
69.1 |
1.4 |
0.846 |
1 |
1 |
0 |
0.000 |
30 |
35 |
|
[ACT]D:103 |
4 |
1 |
182 |
f |
B |
x,y,z |
1_555 |
11 |
3 |
7083 |
66.6 |
-0.5 |
0.736 |
1 |
0 |
0 |
0.009 |
31 |
36 |
|
[ACT]C:103 |
4 |
1 |
183 |
f |
C |
x,y,z |
1_555 |
11 |
4 |
7151 |
66.6 |
-0.7 |
0.663 |
1 |
0 |
0 |
0.021 |
32 |
37 |
|
[ACT]B:103 |
4 |
1 |
182 |
◊ |
C |
x,y,z |
1_555 |
9 |
4 |
7151 |
64.8 |
0.2 |
0.780 |
1 |
0 |
0 |
0.002 |
33 |
38 |
|
[ACT]B:104 |
4 |
1 |
183 |
f |
D |
x,y,z |
1_555 |
16 |
5 |
7367 |
63.5 |
-1.1 |
0.600 |
0 |
0 |
0 |
0.020 |
39 |
|
[ACT]C:104 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
16 |
5 |
7176 |
62.3 |
-1.1 |
0.607 |
0 |
0 |
0 |
0.020 |
Average: |
62.9 |
-1.1 |
0.604 |
0 |
0 |
0 |
0.020 |
34 |
40 |
|
[ACT]A:104 |
4 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
14 |
5 |
7151 |
63.4 |
0.0 |
0.802 |
2 |
0 |
0 |
0.015 |
35 |
41 |
|
[ACT]D:106 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
14 |
5 |
7083 |
62.9 |
0.5 |
0.841 |
2 |
0 |
0 |
0.004 |
36 |
42 |
|
[ACT]A:106 |
4 |
1 |
183 |
f |
C |
x,y,z |
1_555 |
16 |
5 |
7151 |
62.5 |
-1.1 |
0.609 |
0 |
0 |
0 |
0.019 |
37 |
43 |
|
[ACT]A:105 |
3 |
1 |
182 |
f |
A |
x,y,z |
1_555 |
8 |
3 |
7176 |
58.5 |
-0.8 |
0.662 |
1 |
0 |
0 |
0.013 |
38 |
44 |
|
[ACT]C:105 |
4 |
1 |
183 |
◊ |
A |
x,y,z |
1_555 |
16 |
5 |
7176 |
55.2 |
0.1 |
0.790 |
1 |
0 |
0 |
0.000 |
39 |
45 |
|
[ACT]D:104 |
4 |
1 |
184 |
f |
D |
x,y,z |
1_555 |
6 |
3 |
7367 |
53.8 |
0.0 |
0.707 |
1 |
0 |
0 |
0.007 |
40 |
46 |
|
[ACT]D:107 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
5 |
3 |
7176 |
53.3 |
0.3 |
0.834 |
1 |
0 |
0 |
0.002 |
41 |
47 |
|
[ACT]D:103 |
4 |
1 |
182 |
◊ |
D |
x,y,z |
1_555 |
6 |
1 |
7367 |
47.7 |
-0.5 |
0.654 |
0 |
0 |
0 |
0.005 |
42 |
48 |
|
[ACT]C:105 |
4 |
1 |
183 |
◊ |
C |
x,y,z |
1_555 |
7 |
4 |
7151 |
45.8 |
-0.2 |
0.731 |
0 |
0 |
0 |
0.000 |
43 |
49 |
|
[SO4]C:102 |
4 |
1 |
184 |
◊ |
C |
x,y,z |
1_555 |
6 |
2 |
7151 |
45.5 |
-5.4 |
0.799 |
1 |
0 |
0 |
0.060 |
44 |
50 |
|
[ACT]A:102 |
3 |
1 |
185 |
◊ |
C |
x,y,z |
1_555 |
9 |
4 |
7151 |
44.3 |
0.2 |
0.768 |
0 |
0 |
0 |
0.000 |
45 |
51 |
|
[ACT]D:107 |
4 |
1 |
184 |
◊ |
D |
x,y,z |
1_555 |
4 |
2 |
7367 |
41.1 |
0.3 |
0.837 |
0 |
0 |
0 |
0.000 |
46 |
52 |
|
[ACT]A:101 |
3 |
1 |
183 |
◊ |
A |
x,y,z |
1_555 |
5 |
1 |
7176 |
41.0 |
-0.1 |
0.669 |
0 |
0 |
0 |
0.000 |
47 |
53 |
|
[ACT]D:106 |
4 |
1 |
184 |
◊ |
D |
x,y,z |
1_555 |
6 |
3 |
7367 |
40.9 |
0.1 |
0.745 |
0 |
0 |
0 |
0.000 |
54 |
|
[ACT]A:104 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
6 |
3 |
7176 |
40.3 |
0.0 |
0.745 |
0 |
0 |
0 |
0.000 |
Average: |
40.6 |
0.1 |
0.745 |
0 |
0 |
0 |
0.000 |
48 |
55 |
|
[SO4]D:102 |
4 |
1 |
184 |
◊ |
D |
x,y,z |
1_555 |
4 |
2 |
7367 |
40.4 |
-4.1 |
0.960 |
2 |
0 |
0 |
0.088 |
49 |
56 |
|
[ACT]B:103 |
3 |
1 |
182 |
◊ |
B |
x,y,z |
1_555 |
4 |
1 |
7083 |
38.6 |
0.0 |
0.756 |
0 |
0 |
0 |
0.000 |
50 |
57 |
|
D |
4 |
3 |
7367 |
◊ |
A |
x-1/2,y-1/2,z |
5_445 |
6 |
4 |
7176 |
34.7 |
0.6 |
0.757 |
0 |
0 |
0 |
0.000 |
51 |
58 |
|
[ACT]C:105 |
3 |
1 |
183 |
f |
C |
-x+1,y,-z-1/2 |
3_654 |
7 |
1 |
7151 |
34.6 |
-0.3 |
0.579 |
0 |
0 |
0 |
0.006 |
52 |
59 |
|
[ACT]B:103 |
3 |
1 |
182 |
f |
A |
x,y,z |
1_555 |
4 |
1 |
7176 |
34.3 |
-0.6 |
0.521 |
0 |
0 |
0 |
0.006 |
53 |
60 |
|
A |
2 |
1 |
7176 |
◊ |
B |
x-1/2,y+1/2,z |
5_455 |
4 |
1 |
7083 |
33.3 |
-0.4 |
0.355 |
0 |
0 |
0 |
0.000 |
54 |
61 |
|
[ACT]A:104 |
4 |
1 |
184 |
◊ |
D |
x,y,z |
1_555 |
7 |
1 |
7367 |
32.7 |
-0.4 |
0.667 |
0 |
0 |
0 |
0.000 |
62 |
|
[ACT]D:106 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
7 |
2 |
7176 |
30.5 |
-0.3 |
0.683 |
0 |
0 |
0 |
0.000 |
Average: |
31.6 |
-0.4 |
0.675 |
0 |
0 |
0 |
0.000 |
55 |
63 |
|
C |
2 |
1 |
7151 |
◊ |
A |
x-1,y,z |
1_455 |
4 |
2 |
7176 |
32.3 |
-1.7 |
0.100 |
0 |
0 |
0 |
0.000 |
56 |
64 |
|
D |
5 |
3 |
7367 |
◊ |
[ACT]A:105 |
x-1/2,y-1/2,z |
5_445 |
4 |
1 |
182 |
31.6 |
0.0 |
0.742 |
0 |
0 |
0 |
0.000 |
57 |
65 |
|
C |
2 |
1 |
7151 |
◊ |
B |
-x,y,-z-1/2 |
3_554 |
3 |
1 |
7083 |
29.7 |
1.0 |
0.829 |
1 |
0 |
0 |
0.000 |
58 |
66 |
|
B |
2 |
1 |
7083 |
◊ |
[ACT]A:101 |
x-1,y,z |
1_455 |
3 |
1 |
183 |
26.1 |
1.0 |
0.914 |
1 |
0 |
0 |
0.000 |
59 |
67 |
|
[SO4]D:101 |
4 |
1 |
186 |
◊ |
C |
x-1/2,y-1/2,z |
5_445 |
3 |
2 |
7151 |
24.2 |
-2.0 |
0.934 |
0 |
0 |
0 |
0.035 |
60 |
68 |
|
D |
6 |
3 |
7367 |
◊ |
A |
x-1,y,z |
1_455 |
5 |
2 |
7176 |
24.1 |
-0.0 |
0.706 |
0 |
0 |
0 |
0.000 |
61 |
69 |
|
[ACT]D:103 |
3 |
1 |
182 |
f |
[ACT]B:105 |
x,y,z |
1_555 |
2 |
1 |
183 |
24.1 |
-0.6 |
0.586 |
0 |
0 |
0 |
0.006 |
62 |
70 |
|
[ACT]C:105 |
2 |
1 |
183 |
◊ |
A |
-x+1,y,-z-1/2 |
3_654 |
6 |
3 |
7176 |
23.6 |
-0.2 |
0.632 |
0 |
0 |
0 |
0.002 |
63 |
71 |
|
[ACT]D:106 |
3 |
1 |
184 |
◊ |
[ACT]B:104 |
x,y,z |
1_555 |
3 |
1 |
183 |
23.2 |
0.4 |
0.875 |
0 |
0 |
0 |
0.000 |
72 |
|
[ACT]C:104 |
3 |
1 |
183 |
◊ |
[ACT]A:104 |
x,y,z |
1_555 |
3 |
1 |
184 |
22.4 |
0.4 |
0.875 |
0 |
0 |
0 |
0.000 |
Average: |
22.8 |
0.4 |
0.875 |
0 |
0 |
0 |
0.000 |
64 |
73 |
|
[ACT]D:106 |
1 |
1 |
184 |
◊ |
C |
x,y,z |
1_555 |
4 |
2 |
7151 |
22.5 |
-0.2 |
0.641 |
0 |
0 |
0 |
0.000 |
74 |
|
[ACT]A:104 |
1 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
4 |
2 |
7083 |
14.3 |
-0.5 |
0.511 |
0 |
0 |
0 |
0.000 |
Average: |
18.4 |
-0.3 |
0.576 |
0 |
0 |
0 |
0.000 |
65 |
75 |
|
[ACT]B:103 |
3 |
1 |
182 |
◊ |
B |
x-1/2,y+1/2,z |
5_455 |
3 |
1 |
7083 |
21.1 |
0.2 |
0.773 |
0 |
0 |
0 |
0.000 |
66 |
76 |
|
[ACT]C:103 |
2 |
1 |
183 |
◊ |
B |
-x,y,-z-1/2 |
3_554 |
1 |
1 |
7083 |
20.6 |
-0.7 |
0.299 |
0 |
0 |
0 |
0.000 |
67 |
77 |
|
[ACT]C:105 |
3 |
1 |
183 |
◊ |
[ACT]A:106 |
x,y,z |
1_555 |
3 |
1 |
183 |
19.9 |
0.4 |
0.875 |
0 |
0 |
0 |
0.000 |
68 |
78 |
|
D |
1 |
1 |
7367 |
◊ |
[SO4]C:101 |
x-1/2,y-1/2,z |
5_445 |
2 |
1 |
186 |
18.3 |
-1.6 |
0.965 |
1 |
0 |
0 |
0.036 |
69 |
79 |
|
D |
5 |
1 |
7367 |
◊ |
A |
x-3/2,y-1/2,z |
5_345 |
3 |
1 |
7176 |
16.6 |
0.3 |
0.775 |
0 |
0 |
0 |
0.000 |
70 |
80 |
|
[ACT]B:103 |
1 |
1 |
182 |
◊ |
D |
x,y,z |
1_555 |
4 |
2 |
7367 |
16.1 |
-0.2 |
0.613 |
0 |
0 |
0 |
0.000 |
71 |
81 |
|
[ACT]D:104 |
1 |
1 |
184 |
◊ |
A |
x-1/2,y-1/2,z |
5_445 |
2 |
2 |
7176 |
14.8 |
-0.2 |
0.618 |
0 |
0 |
0 |
0.000 |
72 |
82 |
|
D |
3 |
3 |
7367 |
◊ |
[SO4]B:102 |
x-1/2,-y-1/2,-z |
8_445 |
1 |
1 |
186 |
8.2 |
-1.1 |
0.719 |
0 |
0 |
0 |
0.000 |
73 |
83 |
|
B |
1 |
1 |
7083 |
◊ |
[ACT]A:105 |
x-1/2,y-1/2,z |
5_445 |
1 |
1 |
182 |
5.6 |
-0.2 |
0.444 |
0 |
0 |
0 |
0.000 |
74 |
84 |
|
[SO4]D:101 |
1 |
1 |
186 |
◊ |
[SO4]C:101 |
x-1/2,y-1/2,z |
5_445 |
1 |
1 |
186 |
5.5 |
-1.3 |
0.800 |
0 |
0 |
0 |
0.023 |
75 |
85 |
|
D |
1 |
1 |
7367 |
◊ |
[ACT]A:101 |
x-1,y,z |
1_455 |
2 |
1 |
183 |
3.2 |
0.1 |
0.768 |
0 |
0 |
0 |
0.000 |
76 |
86 |
|
[ACT]D:107 |
1 |
1 |
184 |
◊ |
A |
x-1/2,y-1/2,z |
5_445 |
1 |
1 |
7176 |
1.4 |
-0.0 |
0.534 |
0 |
0 |
0 |
0.000 |
77 |
87 |
|
[ACT]C:103 |
1 |
1 |
183 |
◊ |
C |
-x,y,-z-1/2 |
3_554 |
1 |
1 |
7151 |
1.1 |
-0.0 |
0.546 |
0 |
0 |
0 |
0.000 |
|