## |
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 |
185 |
53 |
16907 |
◊ |
C |
x,y,z |
1_555 |
165 |
41 |
6594 |
1645.3 |
-12.4 |
0.363 |
26 |
12 |
0 |
1.000 |
2 |
|
F |
182 |
52 |
16902 |
◊ |
E |
x,y,z |
1_555 |
171 |
41 |
6599 |
1624.6 |
-12.7 |
0.353 |
27 |
14 |
0 |
1.000 |
Average: |
1635.0 |
-12.5 |
0.358 |
27 |
13 |
0 |
1.000 |
2 |
3 |
|
D |
128 |
37 |
16907 |
◊ |
E |
x,y,z |
1_555 |
135 |
43 |
6599 |
1290.4 |
-8.2 |
0.132 |
25 |
4 |
0 |
1.000 |
4 |
|
F |
129 |
37 |
16902 |
◊ |
C |
x,y,z |
1_555 |
134 |
43 |
6594 |
1278.2 |
-8.5 |
0.149 |
19 |
4 |
0 |
1.000 |
Average: |
1284.3 |
-8.4 |
0.140 |
22 |
4 |
0 |
1.000 |
3 |
5 |
|
C |
85 |
26 |
6594 |
◊ |
A |
x,y,z |
1_555 |
79 |
27 |
16056 |
837.3 |
-8.8 |
0.237 |
10 |
4 |
0 |
0.166 |
6 |
|
E |
82 |
25 |
6599 |
◊ |
B |
x,y,z |
1_555 |
79 |
27 |
15958 |
832.1 |
-9.0 |
0.214 |
9 |
4 |
0 |
0.166 |
Average: |
834.7 |
-8.9 |
0.226 |
10 |
4 |
0 |
0.166 |
4 |
7 |
|
F |
75 |
22 |
16902 |
◊ |
D |
x,y,z |
1_555 |
71 |
22 |
16907 |
670.8 |
-3.2 |
0.480 |
6 |
14 |
0 |
0.082 |
5 |
8 |
|
[HEC]A:402 |
43 |
1 |
861 |
cf |
A |
x,y,z |
1_555 |
81 |
33 |
16056 |
622.1 |
-21.2 |
0.474 |
6 |
0 |
0 |
0.287 |
9 |
|
[HEC]B:402 |
43 |
1 |
853 |
cf |
B |
x,y,z |
1_555 |
82 |
34 |
15958 |
618.6 |
-21.2 |
0.471 |
5 |
0 |
0 |
0.287 |
Average: |
620.4 |
-21.2 |
0.472 |
6 |
0 |
0 |
0.287 |
6 |
10 |
|
[HEC]A:403 |
43 |
1 |
846 |
cf |
A |
x,y,z |
1_555 |
82 |
33 |
16056 |
605.3 |
-24.1 |
0.210 |
4 |
0 |
0 |
0.311 |
11 |
|
[HEC]B:403 |
43 |
1 |
849 |
cf |
B |
x,y,z |
1_555 |
82 |
32 |
15958 |
605.0 |
-24.0 |
0.219 |
3 |
0 |
0 |
0.311 |
Average: |
605.2 |
-24.0 |
0.214 |
4 |
0 |
0 |
0.311 |
7 |
12 |
|
D |
45 |
14 |
16907 |
◊ |
A |
x,y,z |
1_555 |
43 |
13 |
16056 |
393.5 |
-0.0 |
0.668 |
6 |
6 |
0 |
0.032 |
13 |
|
F |
39 |
13 |
16902 |
◊ |
B |
x,y,z |
1_555 |
38 |
10 |
15958 |
391.0 |
-0.3 |
0.601 |
3 |
2 |
0 |
0.032 |
Average: |
392.2 |
-0.2 |
0.634 |
5 |
4 |
0 |
0.032 |
8 |
14 |
|
A |
44 |
18 |
16056 |
◊ |
B |
x,y,z-1 |
1_554 |
41 |
16 |
15958 |
334.6 |
1.0 |
0.776 |
1 |
6 |
0 |
0.000 |
9 |
15 |
|
E |
39 |
13 |
6599 |
◊ |
B |
x-1,y,z |
1_455 |
32 |
12 |
15958 |
308.5 |
-4.2 |
0.248 |
4 |
0 |
0 |
0.000 |
10 |
16 |
|
A |
29 |
11 |
16056 |
◊ |
F |
x,y-1,z-1 |
1_544 |
34 |
13 |
16902 |
297.7 |
-1.1 |
0.548 |
1 |
4 |
0 |
0.000 |
11 |
17 |
|
F |
28 |
7 |
16902 |
◊ |
A |
x,y,z |
1_555 |
33 |
8 |
16056 |
274.9 |
0.1 |
0.659 |
3 |
1 |
0 |
0.016 |
18 |
|
D |
28 |
7 |
16907 |
◊ |
B |
x,y,z |
1_555 |
31 |
8 |
15958 |
271.1 |
0.6 |
0.716 |
5 |
1 |
0 |
0.016 |
Average: |
273.0 |
0.4 |
0.687 |
4 |
1 |
0 |
0.016 |
12 |
19 |
|
F |
21 |
7 |
16902 |
x |
F |
x-1,y,z |
1_455 |
21 |
6 |
16902 |
220.2 |
-0.0 |
0.526 |
5 |
1 |
0 |
0.000 |
13 |
20 |
|
C |
22 |
8 |
6594 |
◊ |
A |
x-1,y,z |
1_455 |
18 |
10 |
16056 |
175.7 |
1.5 |
0.841 |
3 |
1 |
0 |
0.000 |
14 |
21 |
|
A |
24 |
9 |
16056 |
◊ |
B |
x,y-1,z-1 |
1_544 |
17 |
7 |
15958 |
139.0 |
0.4 |
0.708 |
0 |
0 |
0 |
0.000 |
15 |
22 |
|
A |
8 |
3 |
16056 |
◊ |
D |
x,y,z-1 |
1_554 |
10 |
5 |
16907 |
114.0 |
-0.7 |
0.363 |
2 |
2 |
0 |
0.000 |
23 |
|
F |
12 |
5 |
16902 |
◊ |
B |
x,y,z-1 |
1_554 |
8 |
3 |
15958 |
112.3 |
-0.9 |
0.296 |
1 |
1 |
0 |
0.000 |
Average: |
113.2 |
-0.8 |
0.329 |
2 |
2 |
0 |
0.000 |
16 |
24 |
|
[EDO]B:405 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
17 |
7 |
15958 |
113.9 |
4.1 |
0.544 |
1 |
0 |
0 |
0.000 |
17 |
25 |
|
[MES]F:401 |
10 |
1 |
333 |
◊ |
F |
x,y,z |
1_555 |
15 |
4 |
16902 |
105.4 |
2.1 |
0.028 |
0 |
0 |
0 |
0.000 |
18 |
26 |
|
D |
12 |
4 |
16907 |
◊ |
B |
x-1,y,z |
1_455 |
10 |
3 |
15958 |
82.3 |
-1.3 |
0.336 |
0 |
0 |
0 |
0.000 |
19 |
27 |
|
D |
9 |
2 |
16907 |
◊ |
A |
x-1,y,z |
1_455 |
8 |
3 |
16056 |
81.0 |
0.3 |
0.696 |
1 |
0 |
0 |
0.000 |
20 |
28 |
|
[ACT]D:401 |
4 |
1 |
184 |
f |
D |
x,y,z |
1_555 |
14 |
4 |
16907 |
80.3 |
0.5 |
0.761 |
3 |
0 |
0 |
0.100 |
21 |
29 |
|
D |
5 |
3 |
16907 |
x |
D |
x-1,y,z |
1_455 |
12 |
5 |
16907 |
74.3 |
-1.1 |
0.298 |
0 |
0 |
0 |
0.000 |
22 |
30 |
|
[MES]F:401 |
5 |
1 |
333 |
◊ |
B |
x,y,z-1 |
1_554 |
11 |
5 |
15958 |
72.2 |
2.6 |
0.439 |
0 |
0 |
0 |
0.000 |
23 |
31 |
|
[EDO]B:406 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
11 |
3 |
15958 |
67.3 |
0.9 |
0.599 |
0 |
0 |
0 |
0.000 |
24 |
32 |
|
[NA]B:404 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
13 |
7 |
15958 |
64.4 |
-10.2 |
0.000 |
0 |
0 |
0 |
0.124 |
25 |
33 |
|
[NA]A:404 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
13 |
6 |
16056 |
55.8 |
-6.8 |
0.000 |
0 |
0 |
0 |
0.082 |
26 |
34 |
|
[CA]A:401 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
12 |
9 |
16056 |
45.9 |
-11.3 |
0.000 |
0 |
0 |
0 |
0.136 |
35 |
|
[CA]B:401 |
1 |
1 |
85 |
f |
B |
x,y,z |
1_555 |
12 |
8 |
15958 |
45.6 |
-11.1 |
0.000 |
0 |
0 |
0 |
0.136 |
Average: |
45.7 |
-11.2 |
0.000 |
0 |
0 |
0 |
0.136 |
27 |
36 |
|
A |
6 |
3 |
16056 |
x |
A |
x-1,y,z |
1_455 |
4 |
3 |
16056 |
35.7 |
-0.5 |
0.403 |
0 |
0 |
0 |
0.000 |
28 |
37 |
|
A |
7 |
2 |
16056 |
◊ |
B |
x-1,y-1,z-1 |
1_444 |
5 |
2 |
15958 |
34.3 |
-0.0 |
0.621 |
0 |
0 |
0 |
0.000 |
29 |
38 |
|
D |
5 |
3 |
16907 |
◊ |
F |
x,y-1,z |
1_545 |
7 |
4 |
16902 |
30.8 |
0.9 |
0.803 |
0 |
0 |
0 |
0.000 |
30 |
39 |
|
[EDO]B:406 |
1 |
1 |
184 |
f |
[NA]B:404 |
x,y,z |
1_555 |
1 |
1 |
125 |
14.0 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.012 |
31 |
40 |
|
[HEC]B:403 |
3 |
1 |
849 |
f |
[CA]B:401 |
x,y,z |
1_555 |
1 |
1 |
85 |
10.1 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.024 |
41 |
|
[HEC]A:403 |
3 |
1 |
846 |
f |
[CA]A:401 |
x,y,z |
1_555 |
1 |
1 |
85 |
8.5 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.024 |
Average: |
9.3 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.024 |
32 |
42 |
|
D |
2 |
1 |
16907 |
◊ |
F |
x-1,y-1,z |
1_445 |
1 |
1 |
16902 |
8.6 |
0.2 |
0.782 |
0 |
0 |
0 |
0.000 |
33 |
43 |
|
D |
3 |
1 |
16907 |
◊ |
B |
x-1,y-1,z-1 |
1_444 |
2 |
2 |
15958 |
6.8 |
-0.1 |
0.536 |
0 |
0 |
0 |
0.000 |
34 |
44 |
|
E |
2 |
1 |
6599 |
◊ |
F |
x-1,y,z |
1_455 |
1 |
1 |
16902 |
6.4 |
0.2 |
0.766 |
0 |
0 |
0 |
0.000 |
35 |
45 |
|
[MES]F:401 |
2 |
1 |
333 |
f |
C |
x,y,z |
1_555 |
2 |
1 |
6594 |
4.3 |
0.1 |
0.168 |
0 |
0 |
0 |
0.000 |
|