## |
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 |
183 |
46 |
13204 |
◊ |
C |
x,y,z |
1_555 |
179 |
46 |
12930 |
1794.8 |
-34.2 |
0.024 |
13 |
0 |
0 |
0.755 |
2 |
|
B |
178 |
49 |
13650 |
◊ |
A |
x,y,z |
1_555 |
186 |
47 |
13597 |
1778.7 |
-31.7 |
0.051 |
14 |
0 |
0 |
0.755 |
Average: |
1786.8 |
-33.0 |
0.038 |
14 |
0 |
0 |
0.755 |
2 |
3 |
|
C |
168 |
42 |
12930 |
◊ |
A |
x,y,z |
1_555 |
165 |
40 |
13597 |
1548.7 |
-27.3 |
0.098 |
11 |
2 |
0 |
0.688 |
4 |
|
D |
173 |
42 |
13204 |
◊ |
B |
x,y,z |
1_555 |
163 |
41 |
13650 |
1536.6 |
-26.4 |
0.103 |
11 |
1 |
0 |
0.688 |
Average: |
1542.6 |
-26.8 |
0.100 |
11 |
2 |
0 |
0.688 |
3 |
5 |
|
A |
92 |
27 |
13597 |
◊ |
B |
x-1/2,-y+1/2,-z+1 |
4_456 |
101 |
31 |
13650 |
863.9 |
-8.0 |
0.605 |
4 |
3 |
0 |
0.097 |
4 |
6 |
|
C |
63 |
15 |
12930 |
◊ |
B |
x,y,z |
1_555 |
62 |
15 |
13650 |
629.3 |
-1.0 |
0.833 |
14 |
0 |
0 |
0.081 |
7 |
|
D |
62 |
15 |
13204 |
◊ |
A |
x,y,z |
1_555 |
63 |
15 |
13597 |
623.9 |
-1.6 |
0.785 |
13 |
0 |
0 |
0.081 |
Average: |
626.6 |
-1.3 |
0.809 |
14 |
0 |
0 |
0.081 |
5 |
8 |
|
[NAP]D:1289 |
46 |
1 |
890 |
f |
D |
x,y,z |
1_555 |
86 |
32 |
13204 |
585.4 |
-0.1 |
0.760 |
18 |
0 |
0 |
0.335 |
9 |
|
[NAP]C:1289 |
46 |
1 |
887 |
f |
C |
x,y,z |
1_555 |
85 |
33 |
12930 |
583.7 |
-0.2 |
0.760 |
17 |
0 |
0 |
0.335 |
10 |
|
[NAP]B:1289 |
46 |
1 |
886 |
f |
B |
x,y,z |
1_555 |
85 |
33 |
13650 |
576.6 |
-0.5 |
0.764 |
17 |
0 |
0 |
0.335 |
11 |
|
[NAP]A:1289 |
46 |
1 |
892 |
f |
A |
x,y,z |
1_555 |
86 |
33 |
13597 |
574.2 |
-0.5 |
0.763 |
17 |
0 |
0 |
0.335 |
Average: |
580.0 |
-0.3 |
0.762 |
17 |
0 |
0 |
0.335 |
6 |
12 |
|
A |
31 |
8 |
13597 |
◊ |
D |
-x+1/2,-y+1,z-1/2 |
2_564 |
33 |
11 |
13204 |
275.1 |
-2.8 |
0.541 |
1 |
0 |
0 |
0.000 |
7 |
13 |
|
[HBI]C:1290 |
17 |
1 |
415 |
f |
C |
x,y,z |
1_555 |
32 |
12 |
12930 |
240.4 |
2.0 |
0.509 |
4 |
0 |
0 |
0.020 |
14 |
|
[HBI]B:1290 |
17 |
1 |
416 |
f |
B |
x,y,z |
1_555 |
30 |
12 |
13650 |
240.4 |
1.2 |
0.433 |
4 |
0 |
0 |
0.020 |
15 |
|
[HBI]A:1290 |
17 |
1 |
414 |
f |
A |
x,y,z |
1_555 |
30 |
12 |
13597 |
239.1 |
1.4 |
0.431 |
4 |
0 |
0 |
0.020 |
16 |
|
[HBI]D:1290 |
17 |
1 |
414 |
f |
D |
x,y,z |
1_555 |
29 |
11 |
13204 |
234.1 |
1.3 |
0.392 |
4 |
0 |
0 |
0.020 |
Average: |
238.5 |
1.5 |
0.441 |
4 |
0 |
0 |
0.020 |
8 |
17 |
|
A |
27 |
10 |
13597 |
◊ |
C |
-x,y-1/2,-z+1/2 |
3_545 |
24 |
8 |
12930 |
193.8 |
-4.1 |
0.328 |
0 |
0 |
0 |
0.000 |
9 |
18 |
|
[HBI]A:1290 |
14 |
1 |
414 |
f |
[NAP]A:1289 |
x,y,z |
1_555 |
21 |
1 |
892 |
129.2 |
-0.4 |
0.282 |
2 |
0 |
0 |
0.056 |
19 |
|
[HBI]D:1290 |
14 |
1 |
414 |
f |
[NAP]D:1289 |
x,y,z |
1_555 |
18 |
1 |
890 |
128.2 |
-0.5 |
0.257 |
2 |
0 |
0 |
0.056 |
20 |
|
[HBI]C:1290 |
14 |
1 |
415 |
f |
[NAP]C:1289 |
x,y,z |
1_555 |
18 |
1 |
887 |
126.9 |
-0.5 |
0.283 |
2 |
0 |
0 |
0.056 |
21 |
|
[HBI]B:1290 |
14 |
1 |
416 |
f |
[NAP]B:1289 |
x,y,z |
1_555 |
17 |
1 |
886 |
124.9 |
-0.5 |
0.270 |
2 |
0 |
0 |
0.056 |
Average: |
127.3 |
-0.5 |
0.273 |
2 |
0 |
0 |
0.056 |
10 |
22 |
|
[EDO]D:1291 |
4 |
1 |
184 |
f |
D |
x,y,z |
1_555 |
19 |
6 |
13204 |
111.3 |
3.4 |
0.517 |
2 |
0 |
0 |
0.000 |
11 |
23 |
|
[EDO]C:1292 |
4 |
1 |
185 |
◊ |
D |
x,y,z |
1_555 |
10 |
5 |
13204 |
78.1 |
2.0 |
0.267 |
0 |
0 |
0 |
0.000 |
24 |
|
[EDO]B:1291 |
4 |
1 |
182 |
◊ |
B |
x,y,z |
1_555 |
11 |
5 |
13650 |
77.4 |
2.2 |
0.484 |
1 |
0 |
0 |
0.000 |
Average: |
77.7 |
2.1 |
0.376 |
1 |
0 |
0 |
0.000 |
12 |
25 |
|
[EDO]A:1291 |
4 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
11 |
5 |
13650 |
76.7 |
3.1 |
0.566 |
1 |
0 |
0 |
0.000 |
13 |
26 |
|
[EDO]A:1291 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
11 |
5 |
13597 |
75.8 |
2.2 |
0.917 |
2 |
0 |
0 |
0.000 |
14 |
27 |
|
[EDO]C:1292 |
4 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
11 |
5 |
12930 |
75.5 |
1.8 |
0.281 |
2 |
0 |
0 |
0.000 |
15 |
28 |
|
[EDO]B:1291 |
4 |
1 |
182 |
f |
A |
x,y,z |
1_555 |
10 |
5 |
13597 |
74.9 |
1.7 |
0.269 |
2 |
0 |
0 |
0.000 |
16 |
29 |
|
A |
14 |
5 |
13597 |
f |
[EDO]C:1291 |
-x,y-1/2,-z+1/2 |
3_545 |
4 |
1 |
183 |
73.3 |
1.7 |
0.290 |
2 |
0 |
0 |
0.000 |
17 |
30 |
|
[EDO]C:1291 |
4 |
1 |
183 |
◊ |
C |
x,y,z |
1_555 |
14 |
5 |
12930 |
72.3 |
1.9 |
0.288 |
0 |
0 |
0 |
0.000 |
18 |
31 |
|
C |
5 |
2 |
12930 |
◊ |
B |
-x+1/2,-y+1,z-1/2 |
2_564 |
9 |
4 |
13650 |
45.1 |
-0.8 |
0.407 |
0 |
0 |
0 |
0.000 |
19 |
32 |
|
[HBI]B:1290 |
2 |
1 |
416 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
12930 |
15.1 |
0.3 |
0.462 |
0 |
0 |
0 |
0.000 |
33 |
|
[HBI]C:1290 |
1 |
1 |
415 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
13650 |
14.3 |
0.3 |
0.507 |
0 |
0 |
0 |
0.000 |
34 |
|
[HBI]A:1290 |
1 |
1 |
414 |
◊ |
D |
x,y,z |
1_555 |
1 |
1 |
13204 |
12.7 |
0.3 |
0.505 |
0 |
0 |
0 |
0.000 |
35 |
|
[HBI]D:1290 |
1 |
1 |
414 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
13597 |
12.4 |
0.3 |
0.505 |
0 |
0 |
0 |
0.000 |
Average: |
13.6 |
0.3 |
0.495 |
0 |
0 |
0 |
0.000 |
20 |
36 |
|
[NAP]A:1289 |
3 |
1 |
892 |
◊ |
B |
x-1/2,-y+1/2,-z+1 |
4_456 |
2 |
2 |
13650 |
12.9 |
0.3 |
0.697 |
0 |
0 |
0 |
0.000 |
37 |
|
A |
1 |
1 |
13597 |
◊ |
[NAP]B:1289 |
x-1/2,-y+1/2,-z+1 |
4_456 |
2 |
1 |
886 |
10.7 |
0.3 |
0.745 |
0 |
0 |
0 |
0.000 |
Average: |
11.8 |
0.3 |
0.721 |
0 |
0 |
0 |
0.000 |
21 |
38 |
|
B |
1 |
1 |
13650 |
◊ |
D |
-x,y-1/2,-z+3/2 |
3_546 |
1 |
1 |
13204 |
1.8 |
-0.1 |
0.488 |
0 |
0 |
0 |
0.000 |
|