| ## |
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 |
166 |
44 |
15488 |
◊ |
A |
x,y,z |
1_555 |
161 |
44 |
14926 |
1512.7 |
-15.7 |
0.183 |
27 |
10 |
1 |
0.344 |
2 |
|
D |
168 |
43 |
15756 |
◊ |
C |
x,y,z |
1_555 |
166 |
44 |
14880 |
1481.1 |
-17.1 |
0.154 |
25 |
7 |
1 |
0.344 |
| Average: |
1496.9 |
-16.4 |
0.168 |
26 |
9 |
1 |
0.344 |
| 2 |
3 |
|
D |
94 |
27 |
15756 |
◊ |
D |
x-y,-y,-z |
6_555 |
94 |
27 |
15756 |
916.4 |
-4.0 |
0.596 |
10 |
4 |
0 |
0.063 |
4 |
|
B |
93 |
28 |
15488 |
◊ |
B |
x-y,-y,-z+1 |
6_556 |
93 |
28 |
15488 |
896.2 |
-2.7 |
0.690 |
6 |
4 |
0 |
0.063 |
5 |
|
C |
73 |
24 |
14880 |
◊ |
C |
x-y,-y,-z |
6_555 |
73 |
24 |
14880 |
656.4 |
1.1 |
0.825 |
10 |
8 |
0 |
0.063 |
6 |
|
A |
62 |
22 |
14926 |
◊ |
A |
x-y,-y,-z+1 |
6_556 |
62 |
22 |
14926 |
640.6 |
3.9 |
0.914 |
10 |
8 |
0 |
0.063 |
| Average: |
777.4 |
-0.4 |
0.756 |
9 |
6 |
0 |
0.063 |
| 3 |
7 |
|
A |
73 |
21 |
14926 |
◊ |
B |
-x+1,-x+y,-z+1 |
5_656 |
75 |
23 |
15488 |
649.9 |
-4.0 |
0.525 |
5 |
0 |
0 |
0.000 |
8 |
|
C |
71 |
22 |
14880 |
◊ |
D |
-x+1,-x+y,-z |
5_655 |
65 |
20 |
15756 |
619.2 |
-3.4 |
0.509 |
5 |
0 |
0 |
0.000 |
| Average: |
634.6 |
-3.7 |
0.517 |
5 |
0 |
0 |
0.000 |
| 4 |
9 |
|
[8ID]C:403 |
44 |
1 |
892 |
f |
C |
x,y,z |
1_555 |
86 |
35 |
14880 |
612.9 |
-8.0 |
0.392 |
18 |
0 |
0 |
0.163 |
10 |
|
[8ID]A:403 |
44 |
1 |
893 |
f |
A |
x,y,z |
1_555 |
85 |
36 |
14926 |
597.9 |
-7.4 |
0.385 |
15 |
0 |
0 |
0.163 |
| Average: |
605.4 |
-7.7 |
0.388 |
17 |
0 |
0 |
0.163 |
| 5 |
11 |
|
D |
61 |
20 |
15756 |
◊ |
A |
x-y,-y,-z |
6_555 |
65 |
23 |
14926 |
547.5 |
0.3 |
0.771 |
6 |
3 |
0 |
0.000 |
| 6 |
12 |
|
B |
48 |
16 |
15488 |
◊ |
A |
x-y,-y,-z+1 |
6_556 |
49 |
15 |
14926 |
455.0 |
-2.6 |
0.520 |
0 |
0 |
0 |
0.025 |
13 |
|
D |
53 |
16 |
15756 |
◊ |
C |
x-y,-y,-z |
6_555 |
47 |
15 |
14880 |
441.7 |
-2.7 |
0.514 |
0 |
0 |
0 |
0.025 |
| Average: |
448.3 |
-2.7 |
0.517 |
0 |
0 |
0 |
0.025 |
| 7 |
14 |
|
A |
36 |
11 |
14926 |
◊ |
D |
-x+1,-x+y,-z |
5_655 |
37 |
12 |
15756 |
320.6 |
2.8 |
0.853 |
2 |
1 |
0 |
0.000 |
| 8 |
15 |
|
C |
31 |
14 |
14880 |
◊ |
B |
x-y,-y,-z |
6_555 |
28 |
10 |
15488 |
276.5 |
1.3 |
0.724 |
1 |
1 |
0 |
0.000 |
| 9 |
16 |
|
D |
22 |
9 |
15756 |
◊ |
B |
x-y,-y,-z |
6_555 |
27 |
11 |
15488 |
220.8 |
-2.0 |
0.417 |
1 |
2 |
0 |
0.000 |
| 10 |
17 |
|
C |
26 |
8 |
14880 |
◊ |
B |
-x+1,-x+y,-z |
5_655 |
27 |
11 |
15488 |
219.4 |
1.2 |
0.792 |
2 |
1 |
0 |
0.000 |
| 11 |
18 |
|
[ETF]D:404 |
6 |
1 |
209 |
f |
D |
x,y,z |
1_555 |
22 |
10 |
15756 |
135.9 |
2.7 |
0.398 |
4 |
0 |
0 |
0.000 |
| 12 |
19 |
|
[ETF]B:404 |
6 |
1 |
208 |
f |
B |
x,y,z |
1_555 |
23 |
10 |
15488 |
129.9 |
2.1 |
0.305 |
5 |
0 |
0 |
0.002 |
| 13 |
20 |
|
[ETF]A:404 |
6 |
1 |
206 |
f |
A |
x,y,z |
1_555 |
19 |
11 |
14926 |
89.1 |
1.7 |
0.316 |
5 |
0 |
0 |
0.005 |
| 14 |
21 |
|
[ETF]C:404 |
6 |
1 |
207 |
f |
C |
x,y,z |
1_555 |
18 |
11 |
14880 |
86.9 |
1.2 |
0.261 |
4 |
0 |
0 |
0.006 |
| 15 |
22 |
|
C |
12 |
4 |
14880 |
x |
C |
-y,x-y-1,z |
2_545 |
11 |
6 |
14880 |
75.4 |
1.2 |
0.819 |
1 |
1 |
0 |
0.000 |
| 16 |
23 |
|
[ETF]A:404 |
6 |
1 |
206 |
f |
[8ID]A:403 |
x,y,z |
1_555 |
10 |
1 |
893 |
50.5 |
-0.1 |
0.053 |
0 |
0 |
0 |
0.000 |
| 17 |
24 |
|
[ETF]C:404 |
6 |
1 |
207 |
f |
[8ID]C:403 |
x,y,z |
1_555 |
10 |
1 |
892 |
49.9 |
0.1 |
0.055 |
0 |
0 |
0 |
0.000 |
| 18 |
25 |
|
A |
3 |
2 |
14926 |
x |
A |
-y,x-y-1,z |
2_545 |
4 |
3 |
14926 |
38.0 |
0.8 |
0.852 |
1 |
0 |
0 |
0.000 |
| 19 |
26 |
|
[ZN]C:401 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
4 |
4 |
14880 |
30.4 |
-24.4 |
0.000 |
0 |
0 |
0 |
0.249 |
27 |
|
[ZN]A:401 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
4 |
4 |
14926 |
29.9 |
-23.6 |
0.000 |
0 |
0 |
0 |
0.249 |
| Average: |
30.2 |
-24.0 |
0.000 |
0 |
0 |
0 |
0.249 |
| 20 |
28 |
|
[8ID]C:403 |
2 |
1 |
892 |
◊ |
D |
x,y,z |
1_555 |
2 |
1 |
15756 |
26.2 |
-0.0 |
0.308 |
0 |
0 |
0 |
0.000 |
29 |
|
[8ID]A:403 |
1 |
1 |
893 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
15488 |
25.5 |
-0.0 |
0.226 |
0 |
0 |
0 |
0.000 |
| Average: |
25.8 |
-0.0 |
0.267 |
0 |
0 |
0 |
0.000 |
| 21 |
30 |
|
C |
2 |
1 |
14880 |
◊ |
A |
x-y,-y,-z |
6_555 |
2 |
1 |
14926 |
26.1 |
-0.1 |
0.365 |
0 |
0 |
0 |
0.000 |
| 22 |
31 |
|
[ETF]D:404 |
1 |
1 |
209 |
f |
[ZN]D:401 |
x,y,z |
1_555 |
1 |
1 |
98 |
23.3 |
-9.3 |
0.000 |
0 |
0 |
0 |
0.184 |
32 |
|
[ETF]C:404 |
2 |
1 |
207 |
cf |
[ZN]C:401 |
x,y,z |
1_555 |
1 |
1 |
98 |
22.1 |
-8.8 |
0.000 |
0 |
0 |
0 |
0.184 |
33 |
|
[ETF]A:404 |
2 |
1 |
206 |
cf |
[ZN]A:401 |
x,y,z |
1_555 |
1 |
1 |
98 |
21.9 |
-8.5 |
0.000 |
0 |
0 |
0 |
0.184 |
| Average: |
22.4 |
-8.9 |
0.000 |
0 |
0 |
0 |
0.184 |
| 23 |
34 |
|
[ETF]B:404 |
2 |
1 |
208 |
f |
[ZN]B:401 |
x,y,z |
1_555 |
1 |
1 |
98 |
21.8 |
-8.6 |
0.000 |
0 |
0 |
0 |
0.098 |
| 24 |
35 |
|
[8ID]A:403 |
1 |
1 |
893 |
◊ |
D |
x-y,-y,-z |
6_555 |
3 |
1 |
15756 |
20.6 |
-0.3 |
0.399 |
0 |
0 |
0 |
0.000 |
| 25 |
36 |
|
[8ID]A:403 |
3 |
1 |
893 |
f |
[ZN]A:401 |
x,y,z |
1_555 |
1 |
1 |
98 |
20.4 |
-7.6 |
0.000 |
0 |
0 |
0 |
0.079 |
37 |
|
[8ID]C:403 |
3 |
1 |
892 |
f |
[ZN]C:401 |
x,y,z |
1_555 |
1 |
1 |
98 |
19.1 |
-6.9 |
0.000 |
0 |
0 |
0 |
0.079 |
| Average: |
19.7 |
-7.3 |
0.000 |
0 |
0 |
0 |
0.079 |
| 26 |
38 |
|
[ETF]C:404 |
2 |
1 |
207 |
◊ |
D |
x,y,z |
1_555 |
2 |
2 |
15756 |
4.3 |
0.0 |
0.112 |
0 |
0 |
0 |
0.000 |
| 27 |
39 |
|
[ETF]A:404 |
2 |
1 |
206 |
◊ |
B |
x,y,z |
1_555 |
2 |
2 |
15488 |
1.4 |
0.0 |
0.756 |
0 |
0 |
0 |
0.000 |
|