## |
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 |
30 |
8 |
1687 |
◊ |
C |
x,y,z |
1_555 |
26 |
8 |
1633 |
274.4 |
-2.7 |
0.638 |
6 |
0 |
0 |
0.043 |
2 |
|
B |
27 |
8 |
1658 |
◊ |
A |
x,y,z |
1_555 |
28 |
8 |
1649 |
251.9 |
-2.2 |
0.674 |
6 |
0 |
0 |
0.043 |
Average: |
263.1 |
-2.4 |
0.656 |
6 |
0 |
0 |
0.043 |
2 |
3 |
|
D |
21 |
5 |
1687 |
◊ |
A |
-y+5/2,x-1/2,z+1/4 |
3_745 |
24 |
5 |
1649 |
203.9 |
0.2 |
0.814 |
1 |
0 |
0 |
0.000 |
3 |
4 |
|
[HAO]B:12 |
15 |
1 |
420 |
cf |
B |
x,y,z |
1_555 |
19 |
7 |
1658 |
173.5 |
-0.0 |
0.793 |
4 |
0 |
0 |
0.058 |
4 |
5 |
|
[HAO]C:12 |
15 |
1 |
414 |
cf |
C |
x,y,z |
1_555 |
19 |
6 |
1633 |
170.7 |
0.4 |
0.792 |
4 |
0 |
0 |
0.015 |
6 |
|
[HAO]D:12 |
12 |
1 |
417 |
cf |
D |
x,y,z |
1_555 |
18 |
7 |
1687 |
147.9 |
0.6 |
0.805 |
4 |
0 |
0 |
0.015 |
7 |
|
[HAO]A:12 |
13 |
1 |
418 |
cf |
A |
x,y,z |
1_555 |
19 |
7 |
1649 |
143.6 |
0.6 |
0.800 |
4 |
0 |
0 |
0.015 |
Average: |
154.1 |
0.5 |
0.799 |
4 |
0 |
0 |
0.015 |
5 |
8 |
|
D |
19 |
6 |
1687 |
◊ |
B |
x,y,z |
1_555 |
17 |
6 |
1658 |
156.2 |
-1.6 |
0.611 |
1 |
0 |
0 |
0.019 |
9 |
|
C |
15 |
5 |
1633 |
◊ |
A |
x,y,z |
1_555 |
18 |
6 |
1649 |
148.1 |
-2.3 |
0.482 |
0 |
0 |
0 |
0.019 |
Average: |
152.2 |
-2.0 |
0.546 |
1 |
0 |
0 |
0.019 |
6 |
10 |
|
D |
14 |
4 |
1687 |
◊ |
A |
x,y,z |
1_555 |
14 |
4 |
1649 |
143.0 |
-4.5 |
0.148 |
0 |
0 |
0 |
0.035 |
11 |
|
C |
12 |
3 |
1633 |
◊ |
B |
x,y,z |
1_555 |
13 |
3 |
1658 |
118.4 |
-3.8 |
0.237 |
0 |
0 |
0 |
0.035 |
Average: |
130.7 |
-4.2 |
0.192 |
0 |
0 |
0 |
0.035 |
7 |
12 |
|
C |
12 |
4 |
1633 |
◊ |
C |
y,x,-z |
7_555 |
12 |
4 |
1633 |
119.7 |
-2.7 |
0.354 |
0 |
0 |
0 |
0.000 |
8 |
13 |
|
D |
14 |
4 |
1687 |
◊ |
B |
y,x-1,-z |
7_545 |
17 |
4 |
1658 |
119.0 |
-1.2 |
0.639 |
1 |
0 |
0 |
0.000 |
9 |
14 |
|
[CIR]B:2 |
8 |
1 |
334 |
cf |
B |
x,y,z |
1_555 |
10 |
4 |
1658 |
104.3 |
3.4 |
0.141 |
2 |
0 |
0 |
0.000 |
10 |
15 |
|
[CIR]D:2 |
7 |
1 |
345 |
cf |
D |
x,y,z |
1_555 |
10 |
5 |
1687 |
102.6 |
3.5 |
0.152 |
2 |
0 |
0 |
0.000 |
11 |
16 |
|
[CIR]C:2 |
6 |
1 |
344 |
cf |
C |
x,y,z |
1_555 |
11 |
4 |
1633 |
92.3 |
3.0 |
0.417 |
2 |
0 |
0 |
0.000 |
12 |
17 |
|
[HAO]D:12 |
16 |
1 |
417 |
◊ |
B |
x,y,z |
1_555 |
10 |
3 |
1658 |
90.7 |
-0.9 |
0.703 |
1 |
0 |
0 |
0.011 |
18 |
|
[HAO]B:12 |
14 |
1 |
420 |
◊ |
D |
x,y,z |
1_555 |
10 |
3 |
1687 |
83.3 |
-1.1 |
0.637 |
0 |
0 |
0 |
0.011 |
Average: |
87.0 |
-1.0 |
0.670 |
1 |
0 |
0 |
0.011 |
13 |
19 |
|
[HAO]C:12 |
14 |
1 |
414 |
◊ |
A |
x,y,z |
1_555 |
10 |
3 |
1649 |
87.1 |
-1.3 |
0.624 |
0 |
0 |
0 |
0.009 |
20 |
|
[HAO]A:12 |
16 |
1 |
418 |
◊ |
C |
x,y,z |
1_555 |
10 |
3 |
1633 |
80.3 |
-0.9 |
0.643 |
0 |
0 |
0 |
0.009 |
Average: |
83.7 |
-1.1 |
0.634 |
0 |
0 |
0 |
0.009 |
14 |
21 |
|
B |
5 |
2 |
1658 |
◊ |
B |
y+1,x-1,-z |
7_645 |
5 |
2 |
1658 |
86.5 |
-0.1 |
0.705 |
1 |
0 |
0 |
0.000 |
15 |
22 |
|
[CIR]A:2 |
6 |
1 |
346 |
cf |
A |
x,y,z |
1_555 |
10 |
4 |
1649 |
86.3 |
2.7 |
0.291 |
2 |
0 |
0 |
0.000 |
16 |
23 |
|
[HAO]D:12 |
16 |
1 |
417 |
◊ |
A |
-y+5/2,x-1/2,z+1/4 |
3_745 |
7 |
2 |
1649 |
80.7 |
-0.7 |
0.677 |
0 |
0 |
0 |
0.000 |
24 |
|
D |
7 |
2 |
1687 |
◊ |
[HAO]A:12 |
-y+5/2,x-1/2,z+1/4 |
3_745 |
16 |
1 |
418 |
77.5 |
-0.7 |
0.670 |
0 |
0 |
0 |
0.000 |
Average: |
79.1 |
-0.7 |
0.674 |
0 |
0 |
0 |
0.000 |
17 |
25 |
|
B |
8 |
2 |
1658 |
◊ |
C |
-y+5/2,x-1/2,z+1/4 |
3_745 |
8 |
2 |
1633 |
77.0 |
-0.3 |
0.694 |
0 |
0 |
0 |
0.000 |
18 |
26 |
|
A |
8 |
3 |
1649 |
◊ |
C |
y,x-1,-z |
7_545 |
9 |
3 |
1633 |
72.4 |
-0.3 |
0.679 |
0 |
0 |
0 |
0.000 |
19 |
27 |
|
[CIR]D:2 |
7 |
1 |
345 |
◊ |
C |
x,y,z |
1_555 |
8 |
2 |
1633 |
63.6 |
1.3 |
0.753 |
0 |
0 |
0 |
0.000 |
20 |
28 |
|
[CIR]C:2 |
5 |
1 |
344 |
◊ |
B |
y,x-1,-z |
7_545 |
6 |
3 |
1658 |
58.8 |
0.9 |
0.739 |
0 |
0 |
0 |
0.000 |
21 |
29 |
|
A |
8 |
3 |
1649 |
◊ |
[CIR]A:2 |
y,x-1,-z |
7_545 |
4 |
1 |
346 |
56.7 |
0.5 |
0.733 |
0 |
0 |
0 |
0.000 |
22 |
30 |
|
[CIR]B:2 |
6 |
1 |
334 |
◊ |
A |
x,y,z |
1_555 |
6 |
2 |
1649 |
54.7 |
1.2 |
0.003 |
0 |
0 |
0 |
0.000 |
23 |
31 |
|
[CIR]B:2 |
6 |
1 |
334 |
◊ |
[CIR]A:2 |
y,x-1,-z |
7_545 |
7 |
1 |
346 |
54.7 |
2.0 |
0.000 |
0 |
0 |
0 |
0.000 |
24 |
32 |
|
[CIR]A:2 |
6 |
1 |
346 |
◊ |
B |
x,y,z |
1_555 |
6 |
2 |
1658 |
50.3 |
1.2 |
0.758 |
0 |
0 |
0 |
0.000 |
25 |
33 |
|
[CIR]C:2 |
6 |
1 |
344 |
◊ |
D |
x,y,z |
1_555 |
5 |
2 |
1687 |
50.1 |
1.0 |
0.728 |
0 |
0 |
0 |
0.000 |
26 |
34 |
|
[CIR]B:2 |
4 |
1 |
334 |
◊ |
A |
y,x-1,-z |
7_545 |
4 |
1 |
1649 |
44.3 |
0.7 |
0.860 |
0 |
0 |
0 |
0.000 |
27 |
35 |
|
D |
5 |
3 |
1687 |
◊ |
C |
y,x,-z |
7_555 |
5 |
2 |
1633 |
42.3 |
0.4 |
0.742 |
0 |
0 |
0 |
0.000 |
28 |
36 |
|
[HAO]D:12 |
7 |
1 |
417 |
◊ |
[HAO]A:12 |
-y+5/2,x-1/2,z+1/4 |
3_745 |
7 |
1 |
418 |
42.1 |
-0.1 |
0.664 |
0 |
0 |
0 |
0.000 |
29 |
37 |
|
D |
3 |
1 |
1687 |
◊ |
[CIR]A:2 |
y,x-1,-z |
7_545 |
5 |
1 |
346 |
41.3 |
0.3 |
0.464 |
0 |
0 |
0 |
0.000 |
30 |
38 |
|
B |
4 |
2 |
1658 |
◊ |
A |
y+1,x-1,-z |
7_645 |
4 |
2 |
1649 |
40.0 |
-1.1 |
0.412 |
0 |
0 |
0 |
0.000 |
31 |
39 |
|
[HAO]B:12 |
7 |
1 |
420 |
◊ |
B |
y+1,x-1,-z |
7_645 |
4 |
2 |
1658 |
37.3 |
-0.9 |
0.534 |
0 |
0 |
0 |
0.000 |
32 |
40 |
|
C |
5 |
2 |
1633 |
◊ |
[CIR]D:2 |
y,x-1,-z |
7_545 |
2 |
1 |
345 |
36.8 |
0.4 |
0.818 |
0 |
0 |
0 |
0.000 |
33 |
41 |
|
[CL]B:101 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
7 |
3 |
1658 |
35.7 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.112 |
34 |
42 |
|
D |
2 |
1 |
1687 |
◊ |
[CL]B:101 |
y,x-1,-z |
7_545 |
1 |
1 |
125 |
31.4 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.000 |
35 |
43 |
|
C |
4 |
1 |
1633 |
◊ |
A |
-y+5/2,x-1/2,z+1/4 |
3_745 |
1 |
1 |
1649 |
29.7 |
-0.9 |
0.244 |
0 |
0 |
0 |
0.000 |
44 |
|
D |
1 |
1 |
1687 |
◊ |
B |
-y+5/2,x-1/2,z+1/4 |
3_745 |
4 |
1 |
1658 |
24.7 |
-0.8 |
0.308 |
0 |
0 |
0 |
0.000 |
Average: |
27.2 |
-0.8 |
0.276 |
0 |
0 |
0 |
0.000 |
36 |
45 |
|
[CIR]C:2 |
1 |
1 |
344 |
◊ |
[HAO]B:12 |
y,x-1,-z |
7_545 |
4 |
1 |
420 |
28.6 |
0.2 |
0.402 |
0 |
0 |
0 |
0.000 |
37 |
46 |
|
A |
3 |
1 |
1649 |
◊ |
B |
y,x-1,-z |
7_545 |
3 |
2 |
1658 |
27.6 |
-0.9 |
0.344 |
0 |
0 |
0 |
0.000 |
47 |
|
D |
1 |
1 |
1687 |
◊ |
C |
y,x-1,-z |
7_545 |
2 |
1 |
1633 |
9.5 |
-0.3 |
0.441 |
0 |
0 |
0 |
0.000 |
Average: |
18.5 |
-0.6 |
0.392 |
0 |
0 |
0 |
0.000 |
38 |
48 |
|
D |
3 |
1 |
1687 |
◊ |
B |
y+1,x-1,-z |
7_645 |
2 |
1 |
1658 |
26.7 |
-0.9 |
0.379 |
0 |
0 |
0 |
0.000 |
39 |
49 |
|
[CIR]C:2 |
5 |
1 |
344 |
◊ |
[CIR]D:2 |
y,x-1,-z |
7_545 |
5 |
1 |
345 |
26.6 |
1.0 |
1.000 |
0 |
0 |
0 |
0.000 |
40 |
50 |
|
[HAO]C:12 |
3 |
1 |
414 |
◊ |
C |
y,x,-z |
7_555 |
3 |
2 |
1633 |
22.6 |
-0.7 |
0.487 |
0 |
0 |
0 |
0.000 |
41 |
51 |
|
[HAO]A:12 |
1 |
1 |
418 |
◊ |
[CIR]D:2 |
y,x-1,-z |
7_545 |
3 |
1 |
345 |
20.6 |
0.0 |
0.594 |
0 |
0 |
0 |
0.000 |
42 |
52 |
|
[CIR]C:2 |
4 |
1 |
344 |
◊ |
C |
y,x,-z |
7_555 |
2 |
1 |
1633 |
19.2 |
0.3 |
0.602 |
0 |
0 |
0 |
0.000 |
43 |
53 |
|
B |
1 |
1 |
1658 |
◊ |
D |
-x+5/2,y-1/2,-z+1/4 |
5_745 |
1 |
1 |
1687 |
18.5 |
0.9 |
0.899 |
0 |
0 |
0 |
0.000 |
44 |
54 |
|
A |
1 |
1 |
1649 |
◊ |
[HAO]C:12 |
y,x-1,-z |
7_545 |
1 |
1 |
414 |
15.3 |
-0.1 |
0.530 |
0 |
0 |
0 |
0.000 |
45 |
55 |
|
[HAO]B:12 |
2 |
1 |
420 |
f |
[CIR]B:2 |
x,y,z |
1_555 |
2 |
1 |
334 |
14.6 |
-0.4 |
0.576 |
0 |
0 |
0 |
0.012 |
46 |
56 |
|
[HAO]C:12 |
2 |
1 |
414 |
f |
[CIR]C:2 |
x,y,z |
1_555 |
2 |
1 |
344 |
14.0 |
-0.2 |
0.666 |
0 |
0 |
0 |
0.000 |
47 |
57 |
|
[HAO]A:12 |
2 |
1 |
418 |
f |
[CIR]A:2 |
x,y,z |
1_555 |
2 |
1 |
346 |
13.2 |
-0.3 |
0.570 |
0 |
0 |
0 |
0.001 |
48 |
58 |
|
[HAO]D:12 |
2 |
1 |
417 |
f |
[CIR]D:2 |
x,y,z |
1_555 |
2 |
1 |
345 |
12.4 |
-0.1 |
0.666 |
0 |
0 |
0 |
0.000 |
49 |
59 |
|
C |
2 |
1 |
1633 |
◊ |
[CL]B:101 |
x-1,y,z |
1_455 |
1 |
1 |
125 |
12.3 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.000 |
50 |
60 |
|
[CL]B:101 |
1 |
1 |
125 |
◊ |
[HAO]B:12 |
y+1,x-1,-z |
7_645 |
1 |
1 |
420 |
11.8 |
-1.4 |
0.000 |
0 |
0 |
0 |
0.000 |
51 |
61 |
|
B |
1 |
1 |
1658 |
◊ |
[CIR]D:2 |
-x+7/2,y-1/2,-z+1/4 |
5_845 |
3 |
1 |
345 |
10.9 |
0.6 |
0.959 |
0 |
0 |
0 |
0.000 |
52 |
62 |
|
[HAO]A:12 |
1 |
1 |
418 |
◊ |
C |
y,x-1,-z |
7_545 |
1 |
1 |
1633 |
9.5 |
-0.0 |
0.604 |
0 |
0 |
0 |
0.000 |
53 |
63 |
|
B |
1 |
1 |
1658 |
◊ |
D |
-x+7/2,y-1/2,-z+1/4 |
5_845 |
1 |
1 |
1687 |
7.6 |
-0.0 |
0.559 |
0 |
0 |
0 |
0.000 |
54 |
64 |
|
[CIR]C:2 |
1 |
1 |
344 |
◊ |
C |
y,x-1,-z |
7_545 |
3 |
2 |
1633 |
7.0 |
-0.0 |
0.783 |
0 |
0 |
0 |
0.000 |
55 |
65 |
|
B |
2 |
1 |
1658 |
◊ |
[HAO]A:12 |
-y+5/2,x-1/2,z+1/4 |
3_745 |
1 |
1 |
418 |
6.7 |
-0.3 |
0.500 |
0 |
0 |
0 |
0.000 |
56 |
66 |
|
[HAO]D:12 |
1 |
1 |
417 |
◊ |
[CIR]B:2 |
x,y,z |
1_555 |
1 |
1 |
334 |
3.3 |
0.1 |
0.804 |
0 |
0 |
0 |
0.000 |
57 |
67 |
|
[HAO]D:12 |
2 |
1 |
417 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
1649 |
2.2 |
0.0 |
0.588 |
0 |
0 |
0 |
0.000 |
|