## |
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 |
|
F |
179 |
51 |
17237 |
◊ |
E |
x,y,z |
1_555 |
169 |
41 |
6674 |
1650.8 |
-13.5 |
0.321 |
27 |
12 |
0 |
1.000 |
2 |
|
D |
183 |
51 |
16880 |
◊ |
C |
x,y,z |
1_555 |
173 |
41 |
6651 |
1650.3 |
-11.9 |
0.435 |
26 |
13 |
0 |
1.000 |
Average: |
1650.6 |
-12.7 |
0.378 |
27 |
13 |
0 |
1.000 |
2 |
3 |
|
F |
130 |
37 |
17237 |
◊ |
C |
x,y,z |
1_555 |
135 |
43 |
6651 |
1253.7 |
-9.3 |
0.111 |
20 |
3 |
0 |
1.000 |
4 |
|
D |
126 |
37 |
16880 |
◊ |
E |
x,y,z |
1_555 |
129 |
42 |
6674 |
1235.4 |
-9.0 |
0.110 |
21 |
3 |
0 |
1.000 |
Average: |
1244.5 |
-9.2 |
0.111 |
21 |
3 |
0 |
1.000 |
3 |
5 |
|
C |
84 |
25 |
6651 |
◊ |
A |
x,y,z |
1_555 |
85 |
28 |
16349 |
839.9 |
-9.3 |
0.235 |
12 |
4 |
0 |
0.169 |
6 |
|
E |
82 |
25 |
6674 |
◊ |
B |
x,y,z |
1_555 |
85 |
29 |
16368 |
837.9 |
-9.8 |
0.186 |
10 |
4 |
0 |
0.169 |
Average: |
838.9 |
-9.5 |
0.211 |
11 |
4 |
0 |
0.169 |
4 |
7 |
|
F |
73 |
21 |
17237 |
◊ |
D |
x,y,z |
1_555 |
72 |
21 |
16880 |
670.7 |
-3.4 |
0.469 |
6 |
14 |
0 |
0.086 |
5 |
8 |
|
[HEC]B:404 |
43 |
1 |
855 |
cf |
B |
x,y,z |
1_555 |
79 |
33 |
16368 |
632.6 |
-21.2 |
0.451 |
4 |
0 |
0 |
0.251 |
9 |
|
[HEC]A:404 |
43 |
1 |
847 |
cf |
A |
x,y,z |
1_555 |
84 |
32 |
16349 |
628.9 |
-20.8 |
0.468 |
4 |
0 |
0 |
0.251 |
Average: |
630.8 |
-21.0 |
0.459 |
4 |
0 |
0 |
0.251 |
6 |
10 |
|
[HEC]A:405 |
43 |
1 |
850 |
cf |
A |
x,y,z |
1_555 |
84 |
33 |
16349 |
614.0 |
-24.2 |
0.200 |
3 |
0 |
0 |
0.284 |
11 |
|
[HEC]B:405 |
43 |
1 |
847 |
cf |
B |
x,y,z |
1_555 |
81 |
33 |
16368 |
609.5 |
-23.9 |
0.196 |
3 |
0 |
0 |
0.284 |
Average: |
611.7 |
-24.0 |
0.198 |
3 |
0 |
0 |
0.284 |
7 |
12 |
|
A |
59 |
17 |
16349 |
◊ |
B |
x,y,z-1 |
1_554 |
59 |
17 |
16368 |
522.5 |
4.4 |
0.928 |
9 |
4 |
0 |
0.000 |
8 |
13 |
|
F |
44 |
13 |
17237 |
◊ |
B |
x,y,z |
1_555 |
45 |
12 |
16368 |
398.3 |
-0.1 |
0.635 |
4 |
2 |
0 |
0.019 |
14 |
|
D |
44 |
15 |
16880 |
◊ |
A |
x,y,z |
1_555 |
39 |
11 |
16349 |
398.0 |
0.4 |
0.699 |
7 |
5 |
0 |
0.019 |
Average: |
398.1 |
0.2 |
0.667 |
6 |
4 |
0 |
0.019 |
9 |
15 |
|
D |
29 |
8 |
16880 |
◊ |
B |
x,y,z |
1_555 |
31 |
9 |
16368 |
287.7 |
-0.6 |
0.593 |
5 |
1 |
0 |
0.027 |
16 |
|
F |
28 |
7 |
17237 |
◊ |
A |
x,y,z |
1_555 |
32 |
9 |
16349 |
282.0 |
-0.4 |
0.608 |
4 |
1 |
0 |
0.027 |
Average: |
284.8 |
-0.5 |
0.600 |
5 |
1 |
0 |
0.027 |
10 |
17 |
|
A |
24 |
8 |
16349 |
◊ |
B |
-x+1,y-1/2,-z+1 |
2_646 |
28 |
8 |
16368 |
269.5 |
-5.0 |
0.094 |
0 |
0 |
0 |
0.000 |
11 |
18 |
|
D |
22 |
7 |
16880 |
◊ |
B |
-x,y-1/2,-z+1 |
2_546 |
17 |
5 |
16368 |
176.7 |
-1.2 |
0.471 |
0 |
0 |
0 |
0.000 |
12 |
19 |
|
D |
20 |
6 |
16880 |
◊ |
F |
-x,y-1/2,-z+1 |
2_546 |
17 |
4 |
17237 |
148.1 |
0.8 |
0.736 |
3 |
3 |
0 |
0.000 |
13 |
20 |
|
C |
14 |
5 |
6651 |
◊ |
B |
x-1,y,z-1 |
1_454 |
15 |
4 |
16368 |
141.3 |
-0.0 |
0.671 |
3 |
0 |
0 |
0.000 |
14 |
21 |
|
D |
13 |
5 |
16880 |
◊ |
E |
-x,y-1/2,-z+1 |
2_546 |
21 |
7 |
6674 |
133.0 |
-0.8 |
0.536 |
1 |
0 |
0 |
0.000 |
15 |
22 |
|
[EDO]A:406 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
19 |
8 |
16349 |
114.4 |
3.5 |
0.517 |
1 |
0 |
0 |
0.000 |
16 |
23 |
|
D |
14 |
3 |
16880 |
◊ |
B |
x-1,y,z |
1_455 |
12 |
6 |
16368 |
113.1 |
-1.0 |
0.315 |
0 |
0 |
0 |
0.000 |
17 |
24 |
|
[EDO]D:401 |
4 |
1 |
186 |
◊ |
D |
x,y,z |
1_555 |
15 |
7 |
16880 |
110.0 |
2.6 |
0.450 |
2 |
0 |
0 |
0.000 |
18 |
25 |
|
[EDO]B:406 |
4 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
12 |
7 |
16368 |
88.8 |
2.0 |
0.250 |
1 |
0 |
0 |
0.000 |
19 |
26 |
|
[EDO]F:401 |
4 |
1 |
185 |
◊ |
F |
x,y,z |
1_555 |
13 |
6 |
17237 |
86.2 |
2.3 |
0.279 |
2 |
0 |
0 |
0.000 |
20 |
27 |
|
[EDO]A:407 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
11 |
3 |
16349 |
76.0 |
2.3 |
0.281 |
0 |
0 |
0 |
0.000 |
21 |
28 |
|
A |
10 |
5 |
16349 |
◊ |
F |
-x+1,y-1/2,-z |
2_645 |
6 |
4 |
17237 |
75.2 |
2.5 |
0.933 |
1 |
1 |
0 |
0.000 |
22 |
29 |
|
D |
7 |
3 |
16880 |
◊ |
B |
-x+1,y-1/2,-z+1 |
2_646 |
10 |
4 |
16368 |
72.8 |
-0.9 |
0.367 |
0 |
0 |
0 |
0.000 |
23 |
30 |
|
[NA]B:403 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
12 |
7 |
16368 |
64.9 |
-10.3 |
0.000 |
0 |
0 |
0 |
0.118 |
31 |
|
[NA]A:403 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
12 |
7 |
16349 |
64.6 |
-10.6 |
0.000 |
0 |
0 |
0 |
0.118 |
Average: |
64.8 |
-10.4 |
0.000 |
0 |
0 |
0 |
0.118 |
24 |
32 |
|
[NA]B:402 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
13 |
7 |
16368 |
62.3 |
-8.3 |
0.000 |
0 |
0 |
0 |
0.093 |
33 |
|
[NA]A:402 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
13 |
6 |
16349 |
61.8 |
-8.4 |
0.000 |
0 |
0 |
0 |
0.093 |
Average: |
62.0 |
-8.4 |
0.000 |
0 |
0 |
0 |
0.093 |
25 |
34 |
|
F |
6 |
3 |
17237 |
◊ |
B |
x,y,z-1 |
1_554 |
4 |
1 |
16368 |
49.4 |
0.1 |
0.659 |
0 |
1 |
0 |
0.000 |
35 |
|
A |
4 |
1 |
16349 |
◊ |
D |
x,y,z-1 |
1_554 |
5 |
2 |
16880 |
48.2 |
-0.2 |
0.533 |
0 |
1 |
0 |
0.000 |
Average: |
48.8 |
-0.0 |
0.596 |
0 |
1 |
0 |
0.000 |
26 |
36 |
|
[CA]A:401 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
13 |
8 |
16349 |
47.1 |
-11.0 |
0.000 |
0 |
0 |
0 |
0.122 |
37 |
|
[CA]B:401 |
1 |
1 |
85 |
f |
B |
x,y,z |
1_555 |
12 |
8 |
16368 |
46.6 |
-11.0 |
0.000 |
0 |
0 |
0 |
0.122 |
Average: |
46.8 |
-11.0 |
0.000 |
0 |
0 |
0 |
0.122 |
27 |
38 |
|
D |
4 |
2 |
16880 |
f |
[EDO]F:401 |
x-1,y,z |
1_455 |
3 |
1 |
185 |
36.2 |
1.3 |
0.908 |
1 |
0 |
0 |
0.000 |
28 |
39 |
|
[EDO]D:401 |
4 |
1 |
186 |
f |
E |
x,y,z |
1_555 |
5 |
3 |
6674 |
36.0 |
0.8 |
0.790 |
0 |
0 |
0 |
0.000 |
29 |
40 |
|
D |
4 |
2 |
16880 |
◊ |
F |
x-1,y,z |
1_455 |
5 |
2 |
17237 |
22.0 |
0.1 |
0.625 |
0 |
0 |
0 |
0.000 |
30 |
41 |
|
[HEC]B:405 |
3 |
1 |
847 |
f |
[CA]B:401 |
x,y,z |
1_555 |
1 |
1 |
85 |
10.1 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.022 |
42 |
|
[HEC]A:405 |
3 |
1 |
850 |
f |
[CA]A:401 |
x,y,z |
1_555 |
1 |
1 |
85 |
9.8 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.022 |
Average: |
10.0 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.022 |
31 |
43 |
|
D |
1 |
1 |
16880 |
◊ |
F |
-x+1,y-1/2,-z+1 |
2_646 |
1 |
1 |
17237 |
0.2 |
0.0 |
0.627 |
0 |
0 |
0 |
0.000 |
|