## |
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 |
109 |
29 |
13551 |
◊ |
A |
x,y,z |
1_555 |
108 |
31 |
13444 |
1033.5 |
-6.6 |
0.340 |
12 |
2 |
0 |
0.000 |
2 |
|
D |
107 |
29 |
13641 |
◊ |
B |
x,y,z |
1_555 |
109 |
29 |
13269 |
1012.2 |
-7.5 |
0.290 |
11 |
3 |
0 |
0.000 |
Average: |
1022.9 |
-7.0 |
0.315 |
12 |
3 |
0 |
0.000 |
2 |
3 |
|
D |
74 |
23 |
13641 |
◊ |
C |
x,y,z |
1_555 |
70 |
20 |
13551 |
622.9 |
-4.6 |
0.366 |
8 |
1 |
0 |
0.000 |
3 |
4 |
|
C |
53 |
17 |
13551 |
◊ |
B |
-x+3/2,-y,z-1/2 |
2_654 |
51 |
17 |
13269 |
459.6 |
-3.8 |
0.333 |
2 |
1 |
0 |
0.000 |
5 |
|
A |
53 |
19 |
13444 |
◊ |
D |
-x+3/2,-y,z-1/2 |
2_654 |
39 |
14 |
13641 |
364.5 |
-0.3 |
0.608 |
2 |
1 |
0 |
0.000 |
6 |
|
B |
31 |
12 |
13269 |
◊ |
A |
x,y,z |
1_555 |
29 |
12 |
13444 |
238.8 |
-0.1 |
0.589 |
2 |
2 |
0 |
0.000 |
Average: |
354.3 |
-1.4 |
0.510 |
2 |
1 |
0 |
0.000 |
4 |
7 |
|
D |
44 |
13 |
13641 |
◊ |
B |
x-1,y,z |
1_455 |
45 |
12 |
13269 |
415.3 |
-4.9 |
0.229 |
2 |
1 |
0 |
0.000 |
8 |
|
C |
42 |
11 |
13551 |
◊ |
A |
x-1,y,z |
1_455 |
43 |
12 |
13444 |
402.7 |
-4.6 |
0.243 |
2 |
1 |
0 |
0.000 |
Average: |
409.0 |
-4.8 |
0.236 |
2 |
1 |
0 |
0.000 |
5 |
9 |
|
[E42]C:301 |
19 |
1 |
443 |
f |
C |
x,y,z |
1_555 |
45 |
14 |
13551 |
302.9 |
5.2 |
0.447 |
7 |
0 |
0 |
0.000 |
10 |
|
[E42]B:301 |
19 |
1 |
445 |
f |
B |
x,y,z |
1_555 |
43 |
14 |
13269 |
302.2 |
5.1 |
0.426 |
7 |
0 |
0 |
0.000 |
11 |
|
[E42]D:301 |
19 |
1 |
442 |
f |
D |
x,y,z |
1_555 |
43 |
14 |
13641 |
299.3 |
4.9 |
0.422 |
7 |
0 |
0 |
0.000 |
12 |
|
[E42]A:301 |
19 |
1 |
440 |
f |
A |
x,y,z |
1_555 |
41 |
14 |
13444 |
299.1 |
4.9 |
0.418 |
7 |
0 |
0 |
0.000 |
Average: |
300.9 |
5.0 |
0.428 |
7 |
0 |
0 |
0.000 |
6 |
13 |
|
D |
18 |
9 |
13641 |
x |
B |
x-1/2,-y-1/2,-z+1 |
4_446 |
21 |
9 |
13269 |
201.2 |
-0.0 |
0.590 |
0 |
0 |
0 |
0.000 |
14 |
|
C |
15 |
7 |
13551 |
x |
C |
-x+1,y-1/2,-z+1/2 |
3_645 |
18 |
7 |
13551 |
178.0 |
-1.4 |
0.370 |
1 |
2 |
0 |
0.000 |
15 |
|
D |
18 |
8 |
13641 |
x |
B |
x-1/2,-y+1/2,-z+1 |
4_456 |
16 |
5 |
13269 |
142.3 |
1.4 |
0.742 |
1 |
1 |
0 |
0.000 |
16 |
|
A |
17 |
7 |
13444 |
x |
A |
-x+2,y-1/2,-z+1/2 |
3_745 |
14 |
5 |
13444 |
136.7 |
1.4 |
0.744 |
0 |
2 |
0 |
0.000 |
Average: |
164.5 |
0.3 |
0.611 |
1 |
1 |
0 |
0.000 |
7 |
17 |
|
C |
18 |
6 |
13551 |
x |
A |
-x+1,y-1/2,-z+1/2 |
3_645 |
20 |
6 |
13444 |
163.6 |
0.9 |
0.663 |
4 |
2 |
0 |
0.000 |
18 |
|
D |
19 |
6 |
13641 |
x |
D |
x-1/2,-y-1/2,-z+1 |
4_446 |
20 |
7 |
13641 |
161.6 |
0.9 |
0.629 |
4 |
2 |
0 |
0.000 |
19 |
|
C |
14 |
6 |
13551 |
x |
A |
-x+2,y-1/2,-z+1/2 |
3_745 |
18 |
6 |
13444 |
146.7 |
2.1 |
0.775 |
4 |
2 |
0 |
0.000 |
20 |
|
B |
15 |
6 |
13269 |
x |
B |
x-1/2,-y+1/2,-z+1 |
4_456 |
19 |
6 |
13269 |
142.5 |
2.4 |
0.815 |
4 |
2 |
0 |
0.000 |
Average: |
153.6 |
1.6 |
0.721 |
4 |
2 |
0 |
0.000 |
8 |
21 |
|
[GOL]C:306 |
6 |
1 |
220 |
f |
C |
x,y,z |
1_555 |
15 |
8 |
13551 |
122.5 |
0.0 |
0.589 |
4 |
0 |
0 |
0.004 |
9 |
22 |
|
[EDO]B:304 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
21 |
8 |
13269 |
113.2 |
3.5 |
0.656 |
2 |
0 |
0 |
0.000 |
23 |
|
[EDO]A:304 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
21 |
8 |
13444 |
111.1 |
3.4 |
0.651 |
3 |
0 |
0 |
0.000 |
Average: |
112.1 |
3.5 |
0.654 |
3 |
0 |
0 |
0.000 |
10 |
24 |
|
[EDO]D:305 |
4 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
21 |
8 |
13641 |
110.0 |
3.6 |
0.673 |
3 |
0 |
0 |
0.000 |
11 |
25 |
|
[EDO]B:306 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
18 |
7 |
13269 |
101.5 |
3.5 |
0.506 |
1 |
0 |
0 |
0.000 |
12 |
26 |
|
[EDO]A:305 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
18 |
7 |
13444 |
100.1 |
3.3 |
0.506 |
1 |
0 |
0 |
0.000 |
13 |
27 |
|
[EDO]B:308 |
4 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
16 |
9 |
13269 |
99.7 |
3.7 |
0.317 |
6 |
0 |
0 |
0.000 |
14 |
28 |
|
[SO4]D:302 |
5 |
1 |
186 |
f |
D |
x,y,z |
1_555 |
15 |
9 |
13641 |
99.6 |
-13.4 |
0.881 |
2 |
0 |
0 |
0.046 |
15 |
29 |
|
[EDO]D:307 |
4 |
1 |
184 |
f |
D |
x,y,z |
1_555 |
17 |
8 |
13641 |
97.8 |
2.9 |
0.503 |
3 |
0 |
0 |
0.000 |
16 |
30 |
|
[SO4]C:303 |
5 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
14 |
8 |
13551 |
96.5 |
-12.6 |
0.888 |
4 |
0 |
0 |
0.030 |
17 |
31 |
|
[GOL]A:308 |
6 |
1 |
218 |
f |
A |
x,y,z |
1_555 |
11 |
4 |
13444 |
92.8 |
1.4 |
0.803 |
2 |
0 |
0 |
0.000 |
18 |
32 |
|
[SO4]B:302 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
12 |
6 |
13269 |
92.3 |
-13.0 |
0.806 |
2 |
0 |
0 |
0.071 |
19 |
33 |
|
[SO4]D:303 |
5 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
12 |
6 |
13641 |
91.2 |
-12.0 |
0.835 |
3 |
0 |
0 |
0.043 |
20 |
34 |
|
[SO4]A:303 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
11 |
5 |
13444 |
90.3 |
-12.2 |
0.829 |
2 |
0 |
0 |
0.061 |
21 |
35 |
|
[EDO]D:308 |
4 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
16 |
6 |
13641 |
90.0 |
1.9 |
0.248 |
0 |
0 |
0 |
0.000 |
22 |
36 |
|
[GOL]B:309 |
6 |
1 |
217 |
f |
B |
x,y,z |
1_555 |
10 |
4 |
13269 |
88.1 |
1.7 |
0.818 |
3 |
0 |
0 |
0.000 |
23 |
37 |
|
[EDO]B:305 |
4 |
1 |
184 |
f |
D |
x,y,z |
1_555 |
17 |
7 |
13641 |
85.3 |
2.9 |
0.510 |
2 |
0 |
0 |
0.000 |
24 |
38 |
|
[GOL]C:305 |
6 |
1 |
221 |
◊ |
A |
-x+1,y-1/2,-z+1/2 |
3_645 |
9 |
4 |
13444 |
84.5 |
0.6 |
0.657 |
2 |
0 |
0 |
0.000 |
25 |
39 |
|
[SO4]C:302 |
5 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
12 |
5 |
13551 |
84.2 |
-11.0 |
0.822 |
2 |
0 |
0 |
0.025 |
26 |
40 |
|
[SO4]D:304 |
5 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
10 |
3 |
13641 |
83.8 |
-11.5 |
0.868 |
3 |
0 |
0 |
0.041 |
27 |
41 |
|
[SO4]A:302 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
9 |
3 |
13444 |
81.8 |
-10.5 |
0.877 |
4 |
0 |
0 |
0.058 |
28 |
42 |
|
[SO4]C:304 |
5 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
10 |
3 |
13551 |
80.3 |
-10.2 |
0.888 |
4 |
0 |
0 |
0.025 |
29 |
43 |
|
[SO4]B:303 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
8 |
3 |
13269 |
78.4 |
-10.0 |
0.886 |
4 |
0 |
0 |
0.060 |
30 |
44 |
|
[EDO]D:306 |
4 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
10 |
5 |
13641 |
67.7 |
1.2 |
0.743 |
1 |
0 |
0 |
0.000 |
31 |
45 |
|
[EDO]B:307 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
10 |
5 |
13269 |
67.7 |
1.3 |
0.782 |
2 |
0 |
0 |
0.000 |
32 |
46 |
|
[GOL]C:305 |
5 |
1 |
221 |
f |
C |
x,y,z |
1_555 |
11 |
6 |
13551 |
67.1 |
0.6 |
0.589 |
1 |
0 |
0 |
0.000 |
33 |
47 |
|
A |
8 |
2 |
13444 |
◊ |
B |
-x+2,y-1/2,-z+1/2 |
3_745 |
4 |
2 |
13269 |
65.6 |
0.7 |
0.735 |
0 |
0 |
0 |
0.000 |
48 |
|
B |
6 |
3 |
13269 |
◊ |
A |
-x+2,y-1/2,-z+1/2 |
3_745 |
4 |
2 |
13444 |
35.6 |
-0.2 |
0.564 |
0 |
0 |
0 |
0.000 |
Average: |
50.6 |
0.3 |
0.650 |
0 |
0 |
0 |
0.000 |
34 |
49 |
|
[EDO]A:306 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
9 |
5 |
13444 |
65.0 |
1.1 |
0.793 |
2 |
0 |
0 |
0.000 |
35 |
50 |
|
[EDO]A:305 |
4 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
12 |
5 |
13551 |
58.6 |
1.4 |
0.770 |
1 |
0 |
0 |
0.000 |
36 |
51 |
|
[EDO]B:306 |
4 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
10 |
5 |
13641 |
56.6 |
1.1 |
0.783 |
1 |
0 |
0 |
0.000 |
37 |
52 |
|
D |
4 |
2 |
13641 |
◊ |
[GOL]B:309 |
x-1/2,-y+1/2,-z+1 |
4_456 |
6 |
1 |
217 |
54.9 |
1.3 |
0.787 |
0 |
0 |
0 |
0.000 |
38 |
53 |
|
[SO4]D:303 |
5 |
1 |
185 |
◊ |
D |
x-1/2,-y-1/2,-z+1 |
4_446 |
9 |
4 |
13641 |
53.8 |
-6.7 |
0.838 |
0 |
0 |
0 |
0.000 |
39 |
54 |
|
[EDO]A:307 |
4 |
1 |
182 |
f |
A |
x,y,z |
1_555 |
8 |
5 |
13444 |
52.9 |
1.2 |
0.814 |
2 |
0 |
0 |
0.000 |
40 |
55 |
|
[EDO]B:305 |
4 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
11 |
5 |
13269 |
52.7 |
1.0 |
0.746 |
1 |
0 |
0 |
0.000 |
41 |
56 |
|
[EDO]D:309 |
4 |
1 |
184 |
f |
D |
x,y,z |
1_555 |
8 |
3 |
13641 |
50.7 |
1.2 |
0.867 |
4 |
0 |
0 |
0.002 |
42 |
57 |
|
C |
8 |
3 |
13551 |
◊ |
[SO4]A:303 |
-x+2,y-1/2,-z+1/2 |
3_745 |
5 |
1 |
185 |
49.8 |
-5.9 |
0.858 |
0 |
0 |
0 |
0.000 |
43 |
58 |
|
[CL]C:307 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
9 |
5 |
13551 |
47.8 |
-5.6 |
0.000 |
0 |
0 |
0 |
0.012 |
44 |
59 |
|
B |
7 |
3 |
13269 |
◊ |
[SO4]B:302 |
x-1/2,-y+1/2,-z+1 |
4_456 |
5 |
1 |
186 |
43.1 |
-5.2 |
0.881 |
0 |
0 |
0 |
0.000 |
45 |
60 |
|
[GOL]C:305 |
5 |
1 |
221 |
f |
[SO4]C:302 |
x,y,z |
1_555 |
4 |
1 |
185 |
42.0 |
-4.6 |
0.693 |
1 |
0 |
0 |
0.011 |
46 |
61 |
|
C |
7 |
2 |
13551 |
◊ |
[GOL]A:308 |
-x+2,y-1/2,-z+1/2 |
3_745 |
4 |
1 |
218 |
41.0 |
-0.3 |
0.578 |
0 |
0 |
0 |
0.000 |
47 |
62 |
|
[SO4]A:302 |
3 |
1 |
186 |
◊ |
A |
-x+2,y-1/2,-z+1/2 |
3_745 |
3 |
1 |
13444 |
39.7 |
-3.5 |
0.959 |
1 |
0 |
0 |
0.000 |
48 |
63 |
|
B |
7 |
2 |
13269 |
◊ |
[GOL]B:309 |
x-1/2,-y+1/2,-z+1 |
4_456 |
3 |
1 |
217 |
39.4 |
-0.4 |
0.551 |
0 |
0 |
0 |
0.000 |
49 |
64 |
|
[SO4]C:302 |
5 |
1 |
185 |
◊ |
A |
-x+1,y-1/2,-z+1/2 |
3_645 |
7 |
3 |
13444 |
39.0 |
-4.5 |
0.882 |
0 |
0 |
0 |
0.000 |
50 |
65 |
|
A |
3 |
2 |
13444 |
◊ |
[GOL]A:308 |
-x+2,y-1/2,-z+1/2 |
3_745 |
5 |
1 |
218 |
38.3 |
0.3 |
0.715 |
0 |
0 |
0 |
0.000 |
51 |
66 |
|
[EDO]A:307 |
2 |
1 |
182 |
◊ |
D |
-x+3/2,-y,z-1/2 |
2_654 |
4 |
2 |
13641 |
38.0 |
1.3 |
0.614 |
0 |
0 |
0 |
0.000 |
52 |
67 |
|
[EDO]A:304 |
2 |
1 |
184 |
f |
[E42]A:301 |
x,y,z |
1_555 |
3 |
1 |
440 |
34.0 |
0.5 |
0.277 |
0 |
0 |
0 |
0.000 |
53 |
68 |
|
D |
3 |
1 |
13641 |
◊ |
[SO4]B:303 |
x-1/2,-y-1/2,-z+1 |
4_446 |
3 |
1 |
185 |
33.7 |
-3.6 |
0.938 |
1 |
0 |
0 |
0.000 |
54 |
69 |
|
[EDO]B:304 |
2 |
1 |
184 |
f |
[E42]B:301 |
x,y,z |
1_555 |
3 |
1 |
445 |
33.7 |
0.4 |
0.272 |
0 |
0 |
0 |
0.000 |
55 |
70 |
|
[EDO]D:305 |
2 |
1 |
185 |
f |
[E42]D:301 |
x,y,z |
1_555 |
3 |
1 |
442 |
33.3 |
0.4 |
0.268 |
0 |
0 |
0 |
0.000 |
56 |
71 |
|
C |
4 |
2 |
13551 |
◊ |
D |
-x+1,y-1/2,-z+1/2 |
3_645 |
5 |
4 |
13641 |
25.9 |
-0.1 |
0.486 |
0 |
0 |
0 |
0.000 |
72 |
|
D |
2 |
2 |
13641 |
◊ |
C |
-x+1,y-1/2,-z+1/2 |
3_645 |
4 |
2 |
13551 |
12.1 |
0.6 |
0.792 |
0 |
0 |
0 |
0.000 |
Average: |
19.0 |
0.2 |
0.639 |
0 |
0 |
0 |
0.000 |
57 |
73 |
|
[EDO]D:307 |
4 |
1 |
184 |
f |
[EDO]B:305 |
x,y,z |
1_555 |
3 |
1 |
184 |
24.4 |
0.6 |
1.000 |
1 |
0 |
0 |
0.000 |
58 |
74 |
|
[EDO]D:307 |
3 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
13269 |
20.4 |
0.3 |
0.484 |
0 |
0 |
0 |
0.000 |
59 |
75 |
|
[EDO]D:307 |
3 |
1 |
184 |
f |
[SO4]D:302 |
x,y,z |
1_555 |
1 |
1 |
186 |
18.5 |
-2.0 |
0.894 |
0 |
0 |
0 |
0.006 |
60 |
76 |
|
[SO4]D:304 |
1 |
1 |
185 |
◊ |
B |
x-1/2,-y+1/2,-z+1 |
4_456 |
2 |
1 |
13269 |
12.7 |
-1.6 |
0.674 |
0 |
0 |
0 |
0.000 |
61 |
77 |
|
C |
1 |
1 |
13551 |
◊ |
[SO4]C:304 |
-x+1,y-1/2,-z+1/2 |
3_645 |
1 |
1 |
185 |
11.8 |
-1.0 |
0.868 |
0 |
0 |
0 |
0.000 |
62 |
78 |
|
[GOL]A:308 |
1 |
1 |
218 |
f |
[SO4]A:303 |
x,y,z |
1_555 |
1 |
1 |
185 |
9.8 |
-1.3 |
0.632 |
0 |
0 |
0 |
0.006 |
63 |
79 |
|
A |
2 |
1 |
13444 |
◊ |
B |
-x+5/2,-y,z-1/2 |
2_754 |
3 |
3 |
13269 |
8.2 |
-0.1 |
0.495 |
0 |
0 |
0 |
0.000 |
64 |
80 |
|
[GOL]B:309 |
1 |
1 |
217 |
f |
[SO4]B:302 |
x,y,z |
1_555 |
1 |
1 |
186 |
3.9 |
-0.6 |
0.707 |
0 |
0 |
0 |
0.003 |
|