## |
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 |
|
B |
145 |
36 |
6850 |
◊ |
A |
x,y,z |
1_555 |
147 |
44 |
15023 |
1402.7 |
-7.2 |
0.294 |
20 |
7 |
0 |
0.878 |
2 |
|
E |
139 |
34 |
6836 |
◊ |
D |
x,y,z |
1_555 |
146 |
45 |
15252 |
1383.9 |
-9.9 |
0.187 |
24 |
8 |
0 |
0.878 |
Average: |
1393.3 |
-8.6 |
0.241 |
22 |
8 |
0 |
0.878 |
2 |
3 |
|
F |
71 |
9 |
1626 |
◊ |
D |
x,y,z |
1_555 |
118 |
35 |
15252 |
880.2 |
-9.6 |
0.416 |
13 |
0 |
0 |
0.443 |
4 |
|
C |
68 |
9 |
1588 |
◊ |
A |
x,y,z |
1_555 |
118 |
35 |
15023 |
871.5 |
-9.2 |
0.384 |
15 |
0 |
0 |
0.443 |
Average: |
875.8 |
-9.4 |
0.400 |
14 |
0 |
0 |
0.443 |
3 |
5 |
|
A |
58 |
25 |
15023 |
◊ |
D |
-y,x-y,z-1/3 |
2_554 |
59 |
18 |
15252 |
564.9 |
-1.3 |
0.475 |
5 |
0 |
0 |
0.000 |
4 |
6 |
|
D |
46 |
14 |
15252 |
◊ |
D |
-x+y+1,y,-z+2/3 |
5_655 |
46 |
14 |
15252 |
416.6 |
3.8 |
0.847 |
8 |
2 |
0 |
0.000 |
5 |
7 |
|
D |
57 |
16 |
15252 |
◊ |
A |
-y+1,-x+1,-z+1/3 |
4_665 |
47 |
14 |
15023 |
412.9 |
-0.1 |
0.533 |
3 |
1 |
0 |
0.000 |
6 |
8 |
|
A |
44 |
16 |
15023 |
◊ |
D |
-y,-x+1,-z+1/3 |
4_565 |
45 |
15 |
15252 |
410.8 |
-0.3 |
0.548 |
4 |
7 |
0 |
0.000 |
7 |
9 |
|
E |
35 |
11 |
6836 |
◊ |
E |
-y,-x,-z+1/3 |
4_555 |
32 |
11 |
6836 |
297.5 |
-0.3 |
0.587 |
2 |
0 |
0 |
0.000 |
8 |
10 |
|
B |
34 |
11 |
6850 |
◊ |
A |
-y+1,-x+1,-z+1/3 |
4_665 |
32 |
9 |
15023 |
288.7 |
0.0 |
0.585 |
3 |
0 |
0 |
0.000 |
9 |
11 |
|
A |
33 |
7 |
15023 |
◊ |
A |
-y+1,-x+1,-z+1/3 |
4_665 |
33 |
8 |
15023 |
272.0 |
-1.6 |
0.403 |
2 |
0 |
0 |
0.000 |
10 |
12 |
|
D |
24 |
8 |
15252 |
◊ |
A |
x,y,z |
1_555 |
22 |
8 |
15023 |
233.5 |
0.3 |
0.469 |
1 |
0 |
0 |
0.000 |
11 |
13 |
|
A |
22 |
5 |
15023 |
◊ |
E |
-y,-x+1,-z+1/3 |
4_565 |
14 |
4 |
6836 |
208.7 |
0.3 |
0.615 |
4 |
3 |
0 |
0.000 |
14 |
|
B |
15 |
4 |
6850 |
◊ |
D |
-y,-x+1,-z+1/3 |
4_565 |
23 |
5 |
15252 |
205.6 |
0.6 |
0.652 |
4 |
4 |
0 |
0.000 |
Average: |
207.2 |
0.4 |
0.633 |
4 |
4 |
0 |
0.000 |
12 |
15 |
|
F |
19 |
5 |
1626 |
◊ |
A |
-y+1,-x+1,-z+1/3 |
4_665 |
24 |
9 |
15023 |
194.6 |
-3.0 |
0.277 |
1 |
0 |
0 |
0.000 |
13 |
16 |
|
C |
16 |
4 |
1588 |
◊ |
D |
-y+1,-x+1,-z+1/3 |
4_665 |
18 |
8 |
15252 |
175.2 |
-1.0 |
0.442 |
1 |
0 |
0 |
0.000 |
14 |
17 |
|
D |
20 |
6 |
15252 |
◊ |
D |
-y+1,-x+1,-z+1/3 |
4_665 |
20 |
6 |
15252 |
168.0 |
0.1 |
0.585 |
2 |
0 |
0 |
0.000 |
15 |
18 |
|
E |
18 |
6 |
6836 |
◊ |
A |
-y,-x,-z+1/3 |
4_555 |
17 |
8 |
15023 |
150.8 |
0.1 |
0.494 |
0 |
1 |
0 |
0.000 |
16 |
19 |
|
B |
8 |
2 |
6850 |
◊ |
D |
x,y,z |
1_555 |
15 |
7 |
15252 |
103.1 |
1.3 |
0.742 |
1 |
0 |
0 |
0.000 |
17 |
20 |
|
[PEG]D:308 |
7 |
1 |
253 |
◊ |
D |
x,y,z |
1_555 |
15 |
5 |
15252 |
101.7 |
1.5 |
0.225 |
1 |
0 |
0 |
0.000 |
18 |
21 |
|
[IOD]A:306 |
1 |
1 |
144 |
f |
A |
x,y,z |
1_555 |
16 |
8 |
15023 |
98.0 |
0.3 |
0.757 |
0 |
0 |
0 |
0.011 |
22 |
|
[IOD]D:301 |
1 |
1 |
144 |
f |
D |
x,y,z |
1_555 |
16 |
7 |
15252 |
75.6 |
-0.3 |
0.641 |
0 |
0 |
0 |
0.011 |
Average: |
86.8 |
-0.0 |
0.699 |
0 |
0 |
0 |
0.011 |
19 |
23 |
|
F |
15 |
4 |
1626 |
◊ |
C |
-y+1,-x+1,-z+1/3 |
4_665 |
7 |
3 |
1588 |
94.7 |
-1.7 |
0.428 |
0 |
0 |
0 |
0.000 |
20 |
24 |
|
[PEG]A:309 |
6 |
1 |
253 |
◊ |
D |
-y+1,-x+1,-z+1/3 |
4_665 |
13 |
4 |
15252 |
94.3 |
1.7 |
0.248 |
0 |
0 |
0 |
0.000 |
21 |
25 |
|
D |
10 |
4 |
15252 |
◊ |
B |
x,y-1,z |
1_545 |
11 |
5 |
6850 |
92.4 |
-0.5 |
0.477 |
0 |
0 |
0 |
0.000 |
22 |
26 |
|
[PEG]A:309 |
6 |
1 |
253 |
◊ |
A |
x,y,z |
1_555 |
12 |
5 |
15023 |
90.2 |
1.3 |
0.189 |
2 |
0 |
0 |
0.000 |
23 |
27 |
|
[IOD]B:101 |
1 |
1 |
144 |
f |
B |
x,y,z |
1_555 |
18 |
8 |
6850 |
88.7 |
-0.3 |
0.666 |
0 |
0 |
0 |
0.086 |
24 |
28 |
|
B |
11 |
5 |
6850 |
◊ |
A |
-y,-x,-z+1/3 |
4_555 |
9 |
3 |
15023 |
85.8 |
0.5 |
0.624 |
0 |
0 |
0 |
0.000 |
25 |
29 |
|
[IOD]A:305 |
1 |
1 |
144 |
f |
A |
x,y,z |
1_555 |
11 |
6 |
15023 |
81.8 |
-0.3 |
0.611 |
0 |
0 |
0 |
0.017 |
30 |
|
[IOD]D:303 |
1 |
1 |
144 |
f |
D |
x,y,z |
1_555 |
15 |
6 |
15252 |
80.8 |
-0.1 |
0.669 |
0 |
0 |
0 |
0.017 |
Average: |
81.3 |
-0.2 |
0.640 |
0 |
0 |
0 |
0.017 |
26 |
31 |
|
A |
13 |
6 |
15023 |
◊ |
[IOD]D:306 |
-y,x-y,z-1/3 |
2_554 |
1 |
1 |
144 |
74.7 |
0.5 |
0.813 |
0 |
0 |
0 |
0.000 |
27 |
32 |
|
[IOD]A:308 |
1 |
1 |
144 |
f |
A |
x,y,z |
1_555 |
12 |
4 |
15023 |
71.9 |
-0.0 |
0.704 |
0 |
0 |
0 |
0.000 |
28 |
33 |
|
[IOD]B:103 |
1 |
1 |
144 |
f |
B |
x,y,z |
1_555 |
10 |
4 |
6850 |
70.7 |
0.4 |
0.825 |
0 |
0 |
0 |
0.000 |
29 |
34 |
|
[PEG]D:308 |
6 |
1 |
253 |
◊ |
A |
-y+1,-x+1,-z+1/3 |
4_665 |
13 |
5 |
15023 |
68.6 |
1.2 |
0.203 |
0 |
0 |
0 |
0.000 |
30 |
35 |
|
[IOD]A:301 |
1 |
1 |
144 |
f |
A |
x,y,z |
1_555 |
16 |
5 |
15023 |
68.3 |
-0.3 |
0.632 |
0 |
0 |
0 |
0.021 |
31 |
36 |
|
[IOD]D:307 |
1 |
1 |
144 |
f |
D |
x,y,z |
1_555 |
12 |
3 |
15252 |
67.1 |
0.1 |
0.724 |
0 |
0 |
0 |
0.000 |
32 |
37 |
|
[IOD]A:307 |
1 |
1 |
144 |
f |
A |
x,y,z |
1_555 |
10 |
5 |
15023 |
66.2 |
-0.4 |
0.564 |
0 |
0 |
0 |
0.026 |
33 |
38 |
|
[IOD]C:101 |
1 |
1 |
144 |
◊ |
C |
x,y,z |
1_555 |
12 |
4 |
1588 |
65.2 |
-0.4 |
0.828 |
0 |
0 |
0 |
0.010 |
39 |
|
[IOD]F:102 |
1 |
1 |
144 |
◊ |
F |
x,y,z |
1_555 |
12 |
4 |
1626 |
57.6 |
0.4 |
0.929 |
0 |
0 |
0 |
0.010 |
Average: |
61.4 |
0.0 |
0.879 |
0 |
0 |
0 |
0.010 |
34 |
40 |
|
[IOD]A:302 |
1 |
1 |
144 |
◊ |
B |
x,y,z |
1_555 |
9 |
4 |
6850 |
64.5 |
-0.2 |
0.657 |
0 |
0 |
0 |
0.013 |
41 |
|
[IOD]D:305 |
1 |
1 |
144 |
◊ |
E |
x,y,z |
1_555 |
9 |
4 |
6836 |
61.6 |
-0.3 |
0.653 |
0 |
0 |
0 |
0.013 |
Average: |
63.0 |
-0.3 |
0.655 |
0 |
0 |
0 |
0.013 |
35 |
42 |
|
[IOD]E:102 |
1 |
1 |
144 |
f |
E |
x,y,z |
1_555 |
9 |
3 |
6836 |
63.5 |
-0.5 |
0.581 |
0 |
0 |
0 |
0.098 |
43 |
|
[IOD]B:102 |
1 |
1 |
144 |
f |
B |
x,y,z |
1_555 |
8 |
3 |
6850 |
61.7 |
-0.4 |
0.598 |
0 |
0 |
0 |
0.098 |
Average: |
62.6 |
-0.4 |
0.590 |
0 |
0 |
0 |
0.098 |
36 |
44 |
|
[IOD]E:101 |
1 |
1 |
144 |
◊ |
D |
x,y,z |
1_555 |
7 |
3 |
15252 |
59.6 |
-0.1 |
0.648 |
0 |
0 |
0 |
0.006 |
45 |
|
[IOD]A:303 |
1 |
1 |
144 |
◊ |
A |
x,y,z |
1_555 |
6 |
3 |
15023 |
58.3 |
-0.1 |
0.636 |
0 |
0 |
0 |
0.006 |
Average: |
58.9 |
-0.1 |
0.642 |
0 |
0 |
0 |
0.006 |
37 |
46 |
|
[IOD]D:304 |
1 |
1 |
144 |
f |
D |
x,y,z |
1_555 |
10 |
3 |
15252 |
58.3 |
-0.1 |
0.678 |
0 |
0 |
0 |
0.004 |
38 |
47 |
|
[PEG]D:308 |
4 |
1 |
253 |
f |
F |
x,y,z |
1_555 |
7 |
3 |
1626 |
57.0 |
-0.2 |
0.249 |
1 |
0 |
0 |
0.085 |
39 |
48 |
|
[IOD]D:302 |
1 |
1 |
144 |
f |
D |
x,y,z |
1_555 |
6 |
4 |
15252 |
56.6 |
-0.5 |
0.452 |
0 |
0 |
0 |
0.020 |
49 |
|
[IOD]F:101 |
1 |
1 |
144 |
f |
A |
-y+1,-x+1,-z+1/3 |
4_665 |
6 |
4 |
15023 |
49.6 |
-0.0 |
0.686 |
0 |
0 |
0 |
0.020 |
Average: |
53.1 |
-0.3 |
0.569 |
0 |
0 |
0 |
0.020 |
40 |
50 |
|
[IOD]F:103 |
1 |
1 |
144 |
f |
F |
x,y,z |
1_555 |
11 |
4 |
1626 |
54.8 |
-0.3 |
0.855 |
0 |
0 |
0 |
0.035 |
41 |
51 |
|
[IOD]A:302 |
1 |
1 |
144 |
f |
A |
x,y,z |
1_555 |
8 |
3 |
15023 |
53.7 |
-0.4 |
0.557 |
0 |
0 |
0 |
0.025 |
52 |
|
[IOD]D:305 |
1 |
1 |
144 |
f |
D |
x,y,z |
1_555 |
8 |
3 |
15252 |
51.6 |
-0.3 |
0.607 |
0 |
0 |
0 |
0.025 |
Average: |
52.7 |
-0.3 |
0.582 |
0 |
0 |
0 |
0.025 |
42 |
53 |
|
[IOD]A:304 |
1 |
1 |
144 |
◊ |
A |
x,y,z |
1_555 |
9 |
2 |
15023 |
50.5 |
-0.2 |
0.652 |
0 |
0 |
0 |
0.000 |
43 |
54 |
|
[IOD]C:101 |
1 |
1 |
144 |
f |
A |
x,y,z |
1_555 |
10 |
3 |
15023 |
49.9 |
-0.4 |
0.583 |
0 |
0 |
0 |
0.024 |
55 |
|
[IOD]F:102 |
1 |
1 |
144 |
f |
D |
x,y,z |
1_555 |
8 |
3 |
15252 |
43.6 |
-0.3 |
0.530 |
0 |
0 |
0 |
0.024 |
Average: |
46.7 |
-0.4 |
0.557 |
0 |
0 |
0 |
0.024 |
44 |
56 |
|
[IOD]E:101 |
1 |
1 |
144 |
f |
E |
x,y,z |
1_555 |
7 |
3 |
6836 |
49.2 |
-0.4 |
0.584 |
0 |
0 |
0 |
0.047 |
57 |
|
[IOD]A:303 |
1 |
1 |
144 |
f |
B |
x,y,z |
1_555 |
8 |
3 |
6850 |
38.9 |
-0.1 |
0.702 |
0 |
0 |
0 |
0.047 |
Average: |
44.0 |
-0.3 |
0.643 |
0 |
0 |
0 |
0.047 |
45 |
58 |
|
A |
6 |
3 |
15023 |
◊ |
[IOD]D:304 |
-y,x-y,z-1/3 |
2_554 |
1 |
1 |
144 |
49.0 |
0.5 |
0.884 |
0 |
0 |
0 |
0.000 |
46 |
59 |
|
[IOD]A:304 |
1 |
1 |
144 |
f |
D |
x,y,z |
1_555 |
7 |
4 |
15252 |
48.9 |
-0.5 |
0.491 |
0 |
0 |
0 |
0.021 |
47 |
60 |
|
[IOD]D:306 |
1 |
1 |
144 |
f |
D |
x,y,z |
1_555 |
9 |
2 |
15252 |
45.5 |
-0.3 |
0.607 |
0 |
0 |
0 |
0.014 |
48 |
61 |
|
[IOD]F:103 |
1 |
1 |
144 |
◊ |
D |
x,y,z |
1_555 |
9 |
3 |
15252 |
44.1 |
-0.2 |
0.633 |
0 |
0 |
0 |
0.005 |
49 |
62 |
|
[IOD]F:101 |
1 |
1 |
144 |
◊ |
C |
-y+1,-x+1,-z+1/3 |
4_665 |
9 |
3 |
1588 |
41.8 |
-0.1 |
0.858 |
0 |
0 |
0 |
0.005 |
63 |
|
[IOD]D:302 |
1 |
1 |
144 |
◊ |
F |
x,y,z |
1_555 |
7 |
2 |
1626 |
35.1 |
-0.2 |
0.851 |
0 |
0 |
0 |
0.005 |
Average: |
38.4 |
-0.1 |
0.854 |
0 |
0 |
0 |
0.005 |
50 |
64 |
|
[IOD]F:101 |
1 |
1 |
144 |
◊ |
F |
x,y,z |
1_555 |
7 |
3 |
1626 |
33.6 |
-0.3 |
0.825 |
0 |
0 |
0 |
0.000 |
51 |
65 |
|
[IOD]E:102 |
1 |
1 |
144 |
◊ |
D |
x,y,z |
1_555 |
5 |
3 |
15252 |
33.5 |
0.4 |
0.864 |
0 |
0 |
0 |
0.004 |
66 |
|
[IOD]B:102 |
1 |
1 |
144 |
◊ |
A |
x,y,z |
1_555 |
6 |
4 |
15023 |
26.9 |
-0.1 |
0.710 |
0 |
0 |
0 |
0.004 |
Average: |
30.2 |
0.1 |
0.787 |
0 |
0 |
0 |
0.004 |
52 |
67 |
|
[IOD]D:302 |
1 |
1 |
144 |
◊ |
C |
-y+1,-x+1,-z+1/3 |
4_665 |
8 |
3 |
1588 |
33.3 |
0.0 |
0.874 |
0 |
0 |
0 |
0.000 |
53 |
68 |
|
[IOD]F:103 |
1 |
1 |
144 |
◊ |
[IOD]F:102 |
x,y,z |
1_555 |
1 |
1 |
144 |
21.7 |
0.1 |
1.000 |
0 |
0 |
0 |
0.000 |
54 |
69 |
|
D |
2 |
1 |
15252 |
◊ |
D |
-x+y,y,-z+2/3 |
5_555 |
2 |
1 |
15252 |
17.8 |
-0.6 |
0.215 |
0 |
0 |
0 |
0.000 |
55 |
70 |
|
B |
1 |
1 |
6850 |
◊ |
B |
-y+1,-x+1,-z+1/3 |
4_665 |
1 |
1 |
6850 |
17.5 |
-0.6 |
0.147 |
0 |
0 |
0 |
0.000 |
56 |
71 |
|
[IOD]D:301 |
1 |
1 |
144 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
15023 |
16.5 |
-0.2 |
0.357 |
0 |
0 |
0 |
0.000 |
57 |
72 |
|
[IOD]A:306 |
1 |
1 |
144 |
◊ |
D |
-y+1,-x+1,-z+1/3 |
4_665 |
1 |
1 |
15252 |
14.6 |
0.6 |
0.979 |
0 |
0 |
0 |
0.000 |
58 |
73 |
|
[IOD]A:307 |
1 |
1 |
144 |
◊ |
D |
-y,-x+1,-z+1/3 |
4_565 |
2 |
2 |
15252 |
7.2 |
-0.1 |
0.653 |
0 |
0 |
0 |
0.000 |
59 |
74 |
|
B |
2 |
2 |
6850 |
◊ |
B |
-y,-x,-z+1/3 |
4_555 |
2 |
2 |
6850 |
7.1 |
0.0 |
0.615 |
0 |
0 |
0 |
0.000 |
60 |
75 |
|
[IOD]D:302 |
1 |
1 |
144 |
◊ |
A |
-y+1,-x+1,-z+1/3 |
4_665 |
1 |
1 |
15023 |
6.0 |
-0.1 |
0.520 |
0 |
0 |
0 |
0.000 |
61 |
76 |
|
[PEG]D:308 |
2 |
1 |
253 |
f |
[PEG]A:309 |
-y+1,-x+1,-z+1/3 |
4_665 |
1 |
1 |
253 |
2.9 |
0.2 |
0.143 |
0 |
0 |
0 |
0.000 |
|