| ## |
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 |
92 |
26 |
12090 |
◊ |
C |
x,y,z |
1_555 |
98 |
26 |
11999 |
923.3 |
-17.5 |
0.018 |
16 |
0 |
0 |
0.291 |
2 |
|
B |
93 |
26 |
11866 |
◊ |
A |
x-1/2,-y+1/2,-z-1 |
4_454 |
96 |
26 |
11897 |
907.5 |
-17.0 |
0.023 |
17 |
0 |
0 |
0.291 |
| Average: |
915.4 |
-17.2 |
0.020 |
17 |
0 |
0 |
0.291 |
| 2 |
3 |
|
[NAI]D:901 |
44 |
1 |
867 |
f |
D |
x,y,z |
1_555 |
81 |
31 |
12090 |
588.0 |
-8.3 |
0.326 |
9 |
0 |
0 |
0.275 |
4 |
|
[NAI]C:901 |
43 |
1 |
863 |
f |
C |
x,y,z |
1_555 |
82 |
31 |
11999 |
584.9 |
-8.3 |
0.375 |
10 |
0 |
0 |
0.275 |
5 |
|
[NAI]B:901 |
44 |
1 |
860 |
f |
B |
x,y,z |
1_555 |
83 |
32 |
11866 |
576.7 |
-7.9 |
0.395 |
9 |
0 |
0 |
0.275 |
6 |
|
[NAI]A:901 |
42 |
1 |
864 |
f |
A |
x,y,z |
1_555 |
82 |
32 |
11897 |
567.1 |
-7.4 |
0.386 |
9 |
0 |
0 |
0.275 |
| Average: |
579.2 |
-8.0 |
0.371 |
9 |
0 |
0 |
0.275 |
| 3 |
7 |
|
B |
65 |
16 |
11866 |
◊ |
A |
x-1/2,-y+1/2,-z |
4_455 |
65 |
16 |
11897 |
577.4 |
-0.8 |
0.715 |
4 |
3 |
0 |
0.000 |
| 4 |
8 |
|
B |
48 |
13 |
11866 |
◊ |
A |
x,y,z |
1_555 |
55 |
18 |
11897 |
457.9 |
-2.3 |
0.489 |
1 |
0 |
0 |
0.000 |
| 5 |
9 |
|
C |
41 |
13 |
11999 |
◊ |
C |
-x,-y+1,z |
2_565 |
41 |
13 |
11999 |
373.8 |
1.0 |
0.796 |
4 |
0 |
0 |
0.000 |
| 6 |
10 |
|
B |
39 |
17 |
11866 |
◊ |
D |
x-1/2,-y+1/2,-z-1 |
4_454 |
46 |
18 |
12090 |
373.2 |
-4.8 |
0.252 |
4 |
0 |
0 |
0.058 |
11 |
|
C |
37 |
15 |
11999 |
◊ |
A |
x,y,z |
1_555 |
42 |
16 |
11897 |
351.1 |
-3.2 |
0.382 |
3 |
0 |
0 |
0.058 |
| Average: |
362.2 |
-4.0 |
0.317 |
4 |
0 |
0 |
0.058 |
| 7 |
12 |
|
D |
31 |
11 |
12090 |
◊ |
D |
-x+1,-y+1,z |
2_665 |
31 |
11 |
12090 |
345.1 |
-0.9 |
0.605 |
2 |
2 |
0 |
0.000 |
| 8 |
13 |
|
[1J1]C:902 |
17 |
1 |
454 |
f |
C |
x,y,z |
1_555 |
53 |
20 |
11999 |
306.5 |
1.5 |
0.530 |
5 |
0 |
0 |
0.014 |
14 |
|
[1J1]A:902 |
17 |
1 |
454 |
f |
A |
x,y,z |
1_555 |
50 |
20 |
11897 |
306.2 |
1.6 |
0.537 |
5 |
0 |
0 |
0.014 |
15 |
|
[1J1]B:902 |
17 |
1 |
456 |
f |
B |
x,y,z |
1_555 |
51 |
19 |
11866 |
306.0 |
1.7 |
0.566 |
5 |
0 |
0 |
0.014 |
16 |
|
[1J1]D:902 |
17 |
1 |
453 |
f |
D |
x,y,z |
1_555 |
49 |
20 |
12090 |
304.8 |
1.6 |
0.520 |
5 |
0 |
0 |
0.014 |
| Average: |
305.9 |
1.6 |
0.538 |
5 |
0 |
0 |
0.014 |
| 9 |
17 |
|
A |
16 |
5 |
11897 |
x |
A |
x-1/2,-y+1/2,-z |
4_455 |
18 |
7 |
11897 |
127.7 |
1.2 |
0.775 |
1 |
0 |
0 |
0.000 |
| 10 |
18 |
|
D |
17 |
5 |
12090 |
◊ |
C |
-x,-y+1,z |
2_565 |
13 |
5 |
11999 |
103.7 |
-0.9 |
0.468 |
0 |
0 |
0 |
0.000 |
| 11 |
19 |
|
C |
15 |
7 |
11999 |
◊ |
D |
x-1,y,z+1 |
1_456 |
13 |
6 |
12090 |
84.5 |
1.7 |
0.862 |
2 |
0 |
0 |
0.000 |
20 |
|
A |
8 |
5 |
11897 |
◊ |
B |
x-1/2,-y+1/2,-z |
4_455 |
12 |
5 |
11866 |
82.7 |
1.8 |
0.890 |
1 |
0 |
0 |
0.000 |
| Average: |
83.6 |
1.7 |
0.876 |
2 |
0 |
0 |
0.000 |
| 12 |
21 |
|
[NA]A:903 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
4 |
4 |
11897 |
62.3 |
-12.6 |
0.000 |
0 |
0 |
0 |
0.252 |
22 |
|
[NA]D:903 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
3 |
3 |
12090 |
62.1 |
-12.6 |
0.000 |
0 |
0 |
0 |
0.252 |
23 |
|
[NA]C:903 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
2 |
2 |
11999 |
60.7 |
-12.3 |
0.000 |
0 |
0 |
0 |
0.252 |
| Average: |
61.7 |
-12.5 |
0.000 |
0 |
0 |
0 |
0.252 |
| 13 |
24 |
|
[NAI]C:901 |
8 |
1 |
863 |
◊ |
A |
x,y,z |
1_555 |
10 |
4 |
11897 |
59.6 |
0.9 |
0.719 |
0 |
0 |
0 |
0.000 |
25 |
|
[NAI]B:901 |
7 |
1 |
860 |
◊ |
D |
x-1/2,-y+1/2,-z-1 |
4_454 |
9 |
3 |
12090 |
56.7 |
0.9 |
0.709 |
0 |
0 |
0 |
0.000 |
26 |
|
B |
9 |
3 |
11866 |
◊ |
[NAI]D:901 |
x-1/2,-y+1/2,-z-1 |
4_454 |
7 |
1 |
867 |
51.9 |
0.7 |
0.705 |
1 |
0 |
0 |
0.000 |
27 |
|
[NAI]A:901 |
6 |
1 |
864 |
◊ |
C |
x,y,z |
1_555 |
7 |
3 |
11999 |
43.4 |
0.6 |
0.678 |
0 |
0 |
0 |
0.000 |
| Average: |
52.9 |
0.8 |
0.703 |
0 |
0 |
0 |
0.000 |
| 14 |
28 |
|
[1J1]B:902 |
5 |
1 |
456 |
f |
[NAI]B:901 |
x,y,z |
1_555 |
10 |
1 |
860 |
56.8 |
-1.6 |
0.299 |
0 |
0 |
0 |
0.038 |
29 |
|
[1J1]A:902 |
5 |
1 |
454 |
f |
[NAI]A:901 |
x,y,z |
1_555 |
10 |
1 |
864 |
55.3 |
-1.5 |
0.304 |
0 |
0 |
0 |
0.038 |
30 |
|
[1J1]C:902 |
5 |
1 |
454 |
f |
[NAI]C:901 |
x,y,z |
1_555 |
9 |
1 |
863 |
54.4 |
-1.6 |
0.291 |
0 |
0 |
0 |
0.038 |
31 |
|
[1J1]D:902 |
5 |
1 |
453 |
f |
[NAI]D:901 |
x,y,z |
1_555 |
10 |
1 |
867 |
54.2 |
-1.5 |
0.304 |
0 |
0 |
0 |
0.038 |
| Average: |
55.2 |
-1.6 |
0.300 |
0 |
0 |
0 |
0.038 |
| 15 |
32 |
|
[MG]B:904 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
11 |
7 |
11866 |
41.4 |
-7.5 |
0.000 |
0 |
0 |
0 |
0.178 |
33 |
|
[MG]A:904 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
11 |
7 |
11897 |
41.1 |
-7.5 |
0.000 |
0 |
0 |
0 |
0.178 |
34 |
|
[MG]D:904 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
11 |
7 |
12090 |
40.8 |
-7.5 |
0.000 |
0 |
0 |
0 |
0.178 |
35 |
|
[MG]C:904 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
10 |
7 |
11999 |
40.7 |
-7.4 |
0.000 |
0 |
0 |
0 |
0.178 |
| Average: |
41.0 |
-7.5 |
0.000 |
0 |
0 |
0 |
0.178 |
| 16 |
36 |
|
D |
5 |
2 |
12090 |
x |
D |
x,y,z-1 |
1_554 |
7 |
3 |
12090 |
36.7 |
-0.3 |
0.536 |
0 |
0 |
0 |
0.000 |
37 |
|
C |
3 |
2 |
11999 |
x |
C |
x,y,z-1 |
1_554 |
2 |
2 |
11999 |
12.5 |
-0.1 |
0.549 |
0 |
0 |
0 |
0.000 |
| Average: |
24.6 |
-0.2 |
0.543 |
0 |
0 |
0 |
0.000 |
| 17 |
38 |
|
[MG]C:904 |
1 |
1 |
98 |
f |
[NAI]C:901 |
x,y,z |
1_555 |
3 |
1 |
863 |
27.1 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.054 |
39 |
|
[MG]D:904 |
1 |
1 |
98 |
f |
[NAI]D:901 |
x,y,z |
1_555 |
3 |
1 |
867 |
26.7 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.054 |
40 |
|
[MG]B:904 |
1 |
1 |
98 |
f |
[NAI]B:901 |
x,y,z |
1_555 |
3 |
1 |
860 |
26.4 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.054 |
41 |
|
[MG]A:904 |
1 |
1 |
98 |
f |
[NAI]A:901 |
x,y,z |
1_555 |
3 |
1 |
864 |
25.9 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.054 |
| Average: |
26.5 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.054 |
| 18 |
42 |
|
C |
4 |
3 |
11999 |
◊ |
B |
x-1/2,-y+1/2,-z |
4_455 |
3 |
2 |
11866 |
10.9 |
0.0 |
0.637 |
0 |
0 |
0 |
0.000 |
| 19 |
43 |
|
[NA]C:903 |
1 |
1 |
125 |
f |
[NAI]C:901 |
x,y,z |
1_555 |
2 |
1 |
863 |
3.8 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.005 |
44 |
|
[NA]D:903 |
1 |
1 |
125 |
f |
[NAI]D:901 |
x,y,z |
1_555 |
1 |
1 |
867 |
0.9 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.005 |
45 |
|
[NA]A:903 |
1 |
1 |
125 |
f |
[NAI]A:901 |
x,y,z |
1_555 |
2 |
1 |
864 |
0.7 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.005 |
| Average: |
1.8 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.005 |
|