| ## |
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 |
|
C |
113 |
10 |
4345 |
◊ |
D |
x,y,z |
1_555 |
118 |
39 |
17723 |
1003.2 |
-12.1 |
0.613 |
19 |
0 |
0 |
0.475 |
2 |
|
T |
107 |
10 |
4351 |
◊ |
A |
x,y,z |
1_555 |
114 |
38 |
17720 |
955.2 |
-13.1 |
0.466 |
18 |
0 |
0 |
0.475 |
| Average: |
979.2 |
-12.6 |
0.539 |
19 |
0 |
0 |
0.475 |
| 2 |
3 |
|
P |
73 |
9 |
3274 |
◊ |
A |
x,y,z |
1_555 |
79 |
28 |
17720 |
640.7 |
-14.6 |
0.258 |
15 |
0 |
0 |
0.440 |
4 |
|
B |
70 |
9 |
3281 |
◊ |
D |
x,y,z |
1_555 |
79 |
28 |
17723 |
637.7 |
-15.0 |
0.247 |
13 |
0 |
0 |
0.440 |
| Average: |
639.2 |
-14.8 |
0.252 |
14 |
0 |
0 |
0.440 |
| 3 |
5 |
|
T |
61 |
13 |
4351 |
◊ |
P |
x,y,z |
1_555 |
53 |
14 |
3274 |
559.1 |
-10.1 |
0.579 |
34 |
0 |
0 |
1.000 |
6 |
|
C |
62 |
13 |
4345 |
◊ |
B |
x,y,z |
1_555 |
54 |
14 |
3281 |
555.8 |
-10.3 |
0.575 |
39 |
0 |
0 |
1.000 |
| Average: |
557.5 |
-10.2 |
0.577 |
37 |
0 |
0 |
1.000 |
| 4 |
7 |
|
A |
32 |
8 |
17720 |
x |
A |
x-1,y,z |
1_455 |
32 |
10 |
17720 |
305.1 |
-4.1 |
0.163 |
3 |
0 |
0 |
0.000 |
8 |
|
D |
30 |
8 |
17723 |
x |
D |
x-1,y,z |
1_455 |
32 |
9 |
17723 |
288.2 |
-4.9 |
0.116 |
0 |
0 |
0 |
0.000 |
| Average: |
296.6 |
-4.5 |
0.140 |
2 |
0 |
0 |
0.000 |
| 5 |
9 |
|
[DZ4]A:403 |
28 |
1 |
560 |
f |
A |
x,y,z |
1_555 |
44 |
19 |
17720 |
293.2 |
1.0 |
0.455 |
10 |
0 |
0 |
0.084 |
10 |
|
[DZ4]D:403 |
29 |
1 |
558 |
f |
D |
x,y,z |
1_555 |
42 |
18 |
17723 |
288.5 |
0.7 |
0.477 |
10 |
0 |
0 |
0.084 |
| Average: |
290.9 |
0.9 |
0.466 |
10 |
0 |
0 |
0.084 |
| 6 |
11 |
|
D |
31 |
10 |
17723 |
◊ |
C |
-x,y-1/2,-z+1 |
2_546 |
31 |
4 |
4345 |
254.0 |
2.1 |
0.741 |
1 |
0 |
0 |
0.000 |
12 |
|
T |
27 |
4 |
4351 |
◊ |
A |
-x,y-1/2,-z |
2_545 |
22 |
9 |
17720 |
203.4 |
1.5 |
0.753 |
0 |
0 |
0 |
0.000 |
| Average: |
228.7 |
1.8 |
0.747 |
1 |
0 |
0 |
0.000 |
| 7 |
13 |
|
A |
30 |
6 |
17720 |
◊ |
D |
-x,y-1/2,-z |
2_545 |
25 |
8 |
17723 |
243.3 |
2.0 |
0.678 |
5 |
2 |
0 |
0.000 |
14 |
|
A |
23 |
8 |
17720 |
◊ |
D |
-x,y-1/2,-z+1 |
2_546 |
28 |
7 |
17723 |
206.2 |
1.2 |
0.684 |
4 |
3 |
0 |
0.000 |
| Average: |
224.7 |
1.6 |
0.681 |
5 |
3 |
0 |
0.000 |
| 8 |
15 |
|
[A38]C:6 |
21 |
1 |
476 |
cf |
C |
x,y,z |
1_555 |
28 |
2 |
4345 |
228.0 |
2.9 |
0.650 |
0 |
0 |
0 |
0.000 |
16 |
|
[A38]T:6 |
22 |
1 |
480 |
cf |
T |
x,y,z |
1_555 |
26 |
2 |
4351 |
226.6 |
3.0 |
0.641 |
1 |
0 |
0 |
0.000 |
| Average: |
227.3 |
2.9 |
0.646 |
1 |
0 |
0 |
0.000 |
| 9 |
17 |
|
D |
21 |
7 |
17723 |
◊ |
B |
-x,y-1/2,-z+1 |
2_546 |
21 |
2 |
3281 |
202.0 |
-0.9 |
0.464 |
1 |
0 |
0 |
0.000 |
18 |
|
P |
21 |
2 |
3274 |
◊ |
A |
-x,y-1/2,-z |
2_545 |
22 |
8 |
17720 |
200.5 |
-0.4 |
0.463 |
1 |
0 |
0 |
0.000 |
| Average: |
201.3 |
-0.6 |
0.464 |
1 |
0 |
0 |
0.000 |
| 10 |
19 |
|
A |
26 |
10 |
17720 |
x |
A |
-x+1,y-1/2,-z |
2_645 |
18 |
6 |
17720 |
175.6 |
0.3 |
0.574 |
2 |
0 |
0 |
0.000 |
20 |
|
D |
17 |
5 |
17723 |
x |
D |
-x+1,y-1/2,-z+1 |
2_646 |
19 |
9 |
17723 |
126.4 |
0.1 |
0.466 |
0 |
0 |
0 |
0.000 |
| Average: |
151.0 |
0.2 |
0.520 |
1 |
0 |
0 |
0.000 |
| 11 |
21 |
|
[A38]T:6 |
14 |
1 |
480 |
◊ |
A |
x,y,z |
1_555 |
23 |
9 |
17720 |
168.5 |
-1.5 |
0.296 |
5 |
0 |
0 |
0.095 |
22 |
|
[A38]C:6 |
14 |
1 |
476 |
◊ |
D |
x,y,z |
1_555 |
24 |
10 |
17723 |
168.4 |
-1.5 |
0.305 |
6 |
0 |
0 |
0.095 |
| Average: |
168.4 |
-1.5 |
0.300 |
6 |
0 |
0 |
0.095 |
| 12 |
23 |
|
A |
18 |
7 |
17720 |
◊ |
D |
x,y,z-1 |
1_554 |
21 |
8 |
17723 |
139.5 |
3.5 |
0.878 |
0 |
0 |
0 |
0.000 |
| 13 |
24 |
|
T |
17 |
2 |
4351 |
◊ |
D |
-x+1,y-1/2,-z+1 |
2_646 |
16 |
4 |
17723 |
136.4 |
2.0 |
0.791 |
1 |
0 |
0 |
0.000 |
25 |
|
A |
13 |
4 |
17720 |
◊ |
C |
-x+1,y-1/2,-z |
2_645 |
16 |
2 |
4345 |
111.5 |
0.9 |
0.686 |
0 |
0 |
0 |
0.000 |
| Average: |
124.0 |
1.5 |
0.739 |
1 |
0 |
0 |
0.000 |
| 14 |
26 |
|
T |
9 |
2 |
4351 |
◊ |
A |
x-1,y,z |
1_455 |
11 |
4 |
17720 |
76.4 |
-1.6 |
0.484 |
0 |
0 |
0 |
0.000 |
27 |
|
C |
8 |
2 |
4345 |
◊ |
D |
x-1,y,z |
1_455 |
9 |
4 |
17723 |
64.9 |
-2.1 |
0.377 |
0 |
0 |
0 |
0.000 |
| Average: |
70.6 |
-1.8 |
0.430 |
0 |
0 |
0 |
0.000 |
| 15 |
28 |
|
[DZ4]A:403 |
4 |
1 |
560 |
◊ |
T |
x,y,z |
1_555 |
5 |
1 |
4351 |
47.3 |
-0.6 |
0.419 |
1 |
0 |
0 |
0.024 |
29 |
|
[DZ4]D:403 |
4 |
1 |
558 |
◊ |
C |
x,y,z |
1_555 |
5 |
1 |
4345 |
47.1 |
-0.6 |
0.417 |
1 |
0 |
0 |
0.024 |
| Average: |
47.2 |
-0.6 |
0.418 |
1 |
0 |
0 |
0.024 |
| 16 |
30 |
|
[DZ4]A:403 |
7 |
1 |
560 |
◊ |
[A38]T:6 |
x,y,z |
1_555 |
8 |
1 |
480 |
45.5 |
2.0 |
0.547 |
0 |
0 |
0 |
0.000 |
31 |
|
[DZ4]D:403 |
7 |
1 |
558 |
◊ |
[A38]C:6 |
x,y,z |
1_555 |
6 |
1 |
476 |
42.3 |
1.9 |
0.556 |
0 |
0 |
0 |
0.000 |
| Average: |
43.9 |
2.0 |
0.552 |
0 |
0 |
0 |
0.000 |
| 17 |
32 |
|
[MG]A:401 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
8 |
4 |
17720 |
32.1 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.113 |
33 |
|
[MG]D:401 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
8 |
4 |
17723 |
31.6 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.113 |
| Average: |
31.9 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.113 |
| 18 |
34 |
|
[DZ4]A:403 |
6 |
1 |
560 |
f |
[MG]A:402 |
x,y,z |
1_555 |
1 |
1 |
98 |
31.7 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.107 |
35 |
|
[DZ4]D:403 |
6 |
1 |
558 |
f |
[MG]D:402 |
x,y,z |
1_555 |
1 |
1 |
98 |
31.5 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.107 |
| Average: |
31.6 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.107 |
| 19 |
36 |
|
[MG]D:402 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
8 |
6 |
17723 |
31.3 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.105 |
37 |
|
[MG]A:402 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
11 |
6 |
17720 |
31.2 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.105 |
| Average: |
31.3 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.105 |
| 20 |
38 |
|
[A38]C:6 |
4 |
1 |
476 |
◊ |
B |
x,y,z |
1_555 |
4 |
1 |
3281 |
28.8 |
1.0 |
0.544 |
0 |
0 |
0 |
0.000 |
39 |
|
[A38]T:6 |
3 |
1 |
480 |
◊ |
P |
x,y,z |
1_555 |
5 |
1 |
3274 |
28.8 |
1.0 |
0.545 |
0 |
0 |
0 |
0.000 |
| Average: |
28.8 |
1.0 |
0.544 |
0 |
0 |
0 |
0.000 |
| 21 |
40 |
|
[DZ4]D:403 |
5 |
1 |
558 |
f |
[MG]D:401 |
x,y,z |
1_555 |
1 |
1 |
98 |
26.8 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.077 |
41 |
|
[DZ4]A:403 |
5 |
1 |
560 |
f |
[MG]A:401 |
x,y,z |
1_555 |
1 |
1 |
98 |
25.7 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.077 |
| Average: |
26.3 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.077 |
| 22 |
42 |
|
[DZ4]A:403 |
3 |
1 |
560 |
◊ |
P |
x,y,z |
1_555 |
3 |
1 |
3274 |
22.8 |
-2.0 |
0.213 |
0 |
0 |
0 |
0.044 |
43 |
|
[DZ4]D:403 |
3 |
1 |
558 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
3281 |
22.4 |
-2.1 |
0.208 |
0 |
0 |
0 |
0.044 |
| Average: |
22.6 |
-2.1 |
0.211 |
0 |
0 |
0 |
0.044 |
| 23 |
44 |
|
P |
3 |
1 |
3274 |
◊ |
D |
-x,y-1/2,-z |
2_545 |
2 |
1 |
17723 |
18.1 |
-0.3 |
0.537 |
0 |
0 |
0 |
0.000 |
45 |
|
A |
1 |
1 |
17720 |
◊ |
B |
-x,y-1/2,-z+1 |
2_546 |
1 |
1 |
3281 |
5.7 |
-0.1 |
0.384 |
0 |
0 |
0 |
0.000 |
| Average: |
11.9 |
-0.2 |
0.461 |
0 |
0 |
0 |
0.000 |
| 24 |
46 |
|
[MG]A:401 |
1 |
1 |
98 |
◊ |
P |
x,y,z |
1_555 |
2 |
1 |
3274 |
14.7 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.041 |
47 |
|
[MG]D:401 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
3281 |
14.4 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.041 |
| Average: |
14.5 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.041 |
| 25 |
48 |
|
T |
2 |
1 |
4351 |
◊ |
D |
-x,y-1/2,-z+1 |
2_546 |
1 |
1 |
17723 |
14.2 |
-0.6 |
0.520 |
0 |
0 |
0 |
0.000 |
49 |
|
A |
2 |
1 |
17720 |
◊ |
C |
-x,y-1/2,-z |
2_545 |
3 |
2 |
4345 |
6.1 |
-0.1 |
0.593 |
0 |
0 |
0 |
0.000 |
| Average: |
10.2 |
-0.3 |
0.556 |
0 |
0 |
0 |
0.000 |
| 26 |
50 |
|
[MG]D:402 |
1 |
1 |
98 |
f |
[MG]D:401 |
x,y,z |
1_555 |
1 |
1 |
98 |
9.8 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.044 |
| 27 |
51 |
|
[MG]A:402 |
1 |
1 |
98 |
f |
[MG]A:401 |
x,y,z |
1_555 |
1 |
1 |
98 |
9.6 |
-1.9 |
0.000 |
0 |
0 |
0 |
0.043 |
| 28 |
52 |
|
A |
3 |
1 |
17720 |
◊ |
D |
-x+1,y-1/2,-z |
2_645 |
1 |
1 |
17723 |
8.1 |
0.2 |
0.709 |
0 |
0 |
0 |
0.000 |
53 |
|
A |
1 |
1 |
17720 |
◊ |
D |
-x+1,y-1/2,-z+1 |
2_646 |
1 |
1 |
17723 |
5.2 |
0.1 |
0.551 |
0 |
0 |
0 |
0.000 |
| Average: |
6.6 |
0.2 |
0.630 |
0 |
0 |
0 |
0.000 |
|