## |
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 |
|
E |
95 |
10 |
4289 |
◊ |
A |
x,y,z |
1_555 |
108 |
38 |
17812 |
910.7 |
-13.6 |
0.279 |
16 |
0 |
0 |
0.370 |
2 |
2 |
|
J |
86 |
9 |
4062 |
◊ |
B |
x,y,z |
1_555 |
106 |
39 |
17890 |
859.9 |
-12.1 |
0.250 |
15 |
0 |
0 |
0.347 |
3 |
3 |
|
B |
62 |
15 |
17890 |
◊ |
A |
x,y,z |
1_555 |
60 |
15 |
17812 |
602.0 |
-5.3 |
0.184 |
3 |
0 |
0 |
0.000 |
4 |
4 |
|
J |
63 |
13 |
4062 |
◊ |
H |
x,y,z |
1_555 |
56 |
12 |
2883 |
564.5 |
-6.5 |
0.569 |
33 |
0 |
0 |
1.000 |
5 |
5 |
|
E |
60 |
13 |
4289 |
◊ |
D |
x,y,z |
1_555 |
54 |
12 |
2898 |
562.6 |
-6.7 |
0.599 |
34 |
0 |
0 |
1.000 |
6 |
6 |
|
D |
54 |
8 |
2898 |
◊ |
A |
x,y,z |
1_555 |
65 |
25 |
17812 |
517.2 |
-12.5 |
0.253 |
17 |
0 |
0 |
0.348 |
7 |
7 |
|
H |
56 |
8 |
2883 |
◊ |
B |
x,y,z |
1_555 |
66 |
25 |
17890 |
505.6 |
-12.1 |
0.283 |
17 |
0 |
0 |
0.342 |
8 |
8 |
|
B |
31 |
10 |
17890 |
x |
B |
x-1,y,z |
1_455 |
30 |
8 |
17890 |
313.6 |
-4.4 |
0.137 |
2 |
0 |
0 |
0.000 |
9 |
|
A |
33 |
9 |
17812 |
x |
A |
x-1,y,z |
1_455 |
34 |
10 |
17812 |
305.3 |
-4.3 |
0.145 |
2 |
0 |
0 |
0.000 |
Average: |
309.4 |
-4.4 |
0.141 |
2 |
0 |
0 |
0.000 |
9 |
10 |
|
[DGT]B:1414 |
28 |
1 |
583 |
f |
B |
x,y,z |
1_555 |
48 |
20 |
17890 |
290.3 |
0.4 |
0.540 |
11 |
0 |
0 |
0.085 |
11 |
|
[DGT]A:414 |
27 |
1 |
579 |
f |
A |
x,y,z |
1_555 |
44 |
20 |
17812 |
285.1 |
0.2 |
0.520 |
11 |
0 |
0 |
0.085 |
Average: |
287.7 |
0.3 |
0.530 |
11 |
0 |
0 |
0.085 |
10 |
12 |
|
A |
27 |
8 |
17812 |
◊ |
B |
x-1,y,z-1 |
1_454 |
29 |
8 |
17890 |
271.1 |
0.6 |
0.617 |
2 |
6 |
0 |
0.000 |
11 |
13 |
|
A |
24 |
6 |
17812 |
x |
A |
x,y-1,z |
1_545 |
24 |
7 |
17812 |
225.0 |
2.2 |
0.755 |
3 |
4 |
0 |
0.000 |
12 |
14 |
|
[MG1]J:1906 |
23 |
1 |
512 |
cf |
J |
x,y,z |
1_555 |
24 |
2 |
4062 |
220.7 |
4.7 |
0.751 |
0 |
0 |
0 |
0.000 |
13 |
15 |
|
[MG1]E:906 |
23 |
1 |
509 |
cf |
E |
x,y,z |
1_555 |
24 |
2 |
4289 |
217.0 |
5.2 |
0.779 |
0 |
0 |
0 |
0.000 |
14 |
16 |
|
[MG1]J:1906 |
12 |
1 |
512 |
◊ |
B |
x,y,z |
1_555 |
23 |
10 |
17890 |
162.7 |
-0.7 |
0.431 |
6 |
0 |
0 |
0.068 |
17 |
|
[MG1]E:906 |
12 |
1 |
509 |
◊ |
A |
x,y,z |
1_555 |
25 |
10 |
17812 |
158.8 |
-0.7 |
0.417 |
7 |
0 |
0 |
0.068 |
Average: |
160.7 |
-0.7 |
0.424 |
7 |
0 |
0 |
0.068 |
15 |
18 |
|
[2DT]D:814 |
14 |
1 |
426 |
cf |
D |
x,y,z |
1_555 |
15 |
1 |
2898 |
123.0 |
2.6 |
0.672 |
1 |
0 |
0 |
0.000 |
16 |
19 |
|
[2DT]H:1814 |
14 |
1 |
424 |
cf |
H |
x,y,z |
1_555 |
15 |
1 |
2883 |
116.0 |
2.9 |
0.670 |
1 |
0 |
0 |
0.000 |
17 |
20 |
|
D |
13 |
1 |
2898 |
◊ |
H |
x-2,y-1,z-1 |
1_344 |
14 |
1 |
2883 |
85.1 |
1.8 |
0.799 |
0 |
0 |
0 |
0.000 |
18 |
21 |
|
[2DT]H:1814 |
15 |
1 |
424 |
◊ |
[DGT]B:1414 |
x,y,z |
1_555 |
14 |
1 |
583 |
80.9 |
1.8 |
0.478 |
0 |
0 |
0 |
0.000 |
22 |
|
[2DT]D:814 |
13 |
1 |
426 |
◊ |
[DGT]A:414 |
x,y,z |
1_555 |
13 |
1 |
579 |
75.0 |
1.8 |
0.512 |
0 |
0 |
0 |
0.000 |
Average: |
78.0 |
1.8 |
0.495 |
0 |
0 |
0 |
0.000 |
19 |
23 |
|
D |
8 |
2 |
2898 |
◊ |
J |
x-2,y-1,z-1 |
1_344 |
7 |
2 |
4062 |
74.6 |
-2.1 |
0.388 |
3 |
0 |
0 |
0.000 |
20 |
24 |
|
E |
7 |
2 |
4289 |
◊ |
H |
x-2,y-1,z-1 |
1_344 |
6 |
2 |
2883 |
73.4 |
-2.0 |
0.360 |
2 |
0 |
0 |
0.000 |
21 |
25 |
|
[2DT]H:1814 |
9 |
1 |
424 |
◊ |
B |
x,y,z |
1_555 |
11 |
7 |
17890 |
73.1 |
-0.4 |
0.445 |
1 |
0 |
0 |
0.015 |
22 |
26 |
|
[2DT]D:814 |
5 |
1 |
426 |
◊ |
A |
x,y,z |
1_555 |
11 |
7 |
17812 |
72.5 |
0.3 |
0.532 |
1 |
0 |
0 |
0.003 |
23 |
27 |
|
E |
7 |
4 |
4289 |
◊ |
J |
x-2,y-1,z-1 |
1_344 |
7 |
4 |
4062 |
68.3 |
2.0 |
0.728 |
0 |
0 |
0 |
0.000 |
24 |
28 |
|
[MG1]E:906 |
11 |
1 |
509 |
◊ |
[DGT]A:414 |
x,y,z |
1_555 |
10 |
1 |
579 |
59.0 |
1.6 |
0.603 |
0 |
0 |
0 |
0.000 |
29 |
|
[MG1]J:1906 |
10 |
1 |
512 |
◊ |
[DGT]B:1414 |
x,y,z |
1_555 |
10 |
1 |
583 |
56.5 |
1.4 |
0.590 |
0 |
0 |
0 |
0.000 |
Average: |
57.8 |
1.5 |
0.597 |
0 |
0 |
0 |
0.000 |
25 |
30 |
|
A |
12 |
5 |
17812 |
◊ |
B |
x,y-1,z |
1_545 |
6 |
3 |
17890 |
57.7 |
-0.0 |
0.575 |
0 |
1 |
0 |
0.000 |
26 |
31 |
|
[DGT]B:1414 |
4 |
1 |
583 |
◊ |
J |
x,y,z |
1_555 |
4 |
1 |
4062 |
50.2 |
-0.2 |
0.455 |
3 |
0 |
0 |
0.028 |
27 |
32 |
|
[MG1]E:906 |
3 |
1 |
509 |
◊ |
[2DT]D:814 |
x,y,z |
1_555 |
6 |
1 |
426 |
50.1 |
0.2 |
0.425 |
1 |
0 |
0 |
0.015 |
28 |
33 |
|
[DGT]A:414 |
4 |
1 |
579 |
◊ |
E |
x,y,z |
1_555 |
4 |
1 |
4289 |
49.8 |
-0.2 |
0.463 |
3 |
0 |
0 |
0.028 |
29 |
34 |
|
[MG1]J:1906 |
2 |
1 |
512 |
◊ |
[2DT]H:1814 |
x,y,z |
1_555 |
5 |
1 |
424 |
42.3 |
0.4 |
0.394 |
1 |
0 |
0 |
0.002 |
30 |
35 |
|
[MG1]J:1906 |
6 |
1 |
512 |
◊ |
H |
x,y,z |
1_555 |
8 |
1 |
2883 |
40.5 |
-0.5 |
0.485 |
0 |
0 |
0 |
0.033 |
31 |
36 |
|
A |
6 |
2 |
17812 |
◊ |
B |
x-1,y-1,z-1 |
1_444 |
5 |
3 |
17890 |
39.3 |
0.8 |
0.745 |
0 |
0 |
0 |
0.000 |
32 |
37 |
|
[CA]A:417 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
8 |
6 |
17812 |
38.4 |
-7.9 |
0.000 |
0 |
0 |
0 |
0.145 |
38 |
|
[CA]B:1417 |
1 |
1 |
85 |
f |
B |
x,y,z |
1_555 |
8 |
5 |
17890 |
37.3 |
-7.9 |
0.000 |
0 |
0 |
0 |
0.145 |
Average: |
37.9 |
-7.9 |
0.000 |
0 |
0 |
0 |
0.145 |
33 |
39 |
|
[MG1]E:906 |
5 |
1 |
509 |
◊ |
D |
x,y,z |
1_555 |
8 |
1 |
2898 |
37.7 |
-0.4 |
0.481 |
0 |
0 |
0 |
0.030 |
34 |
40 |
|
E |
6 |
1 |
4289 |
◊ |
A |
x-1,y,z |
1_455 |
2 |
1 |
17812 |
32.7 |
0.2 |
0.605 |
1 |
0 |
0 |
0.000 |
35 |
41 |
|
[CA]B:1416 |
1 |
1 |
85 |
f |
B |
x,y,z |
1_555 |
10 |
7 |
17890 |
28.4 |
-6.1 |
0.000 |
0 |
0 |
0 |
0.112 |
42 |
|
[CA]A:416 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
8 |
6 |
17812 |
26.7 |
-6.1 |
0.000 |
0 |
0 |
0 |
0.112 |
Average: |
27.6 |
-6.1 |
0.000 |
0 |
0 |
0 |
0.112 |
36 |
43 |
|
[CA]A:415 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
7 |
5 |
17812 |
26.6 |
-5.9 |
0.000 |
0 |
0 |
0 |
0.114 |
44 |
|
[CA]B:1415 |
1 |
1 |
85 |
f |
B |
x,y,z |
1_555 |
7 |
4 |
17890 |
26.5 |
-6.1 |
0.000 |
0 |
0 |
0 |
0.114 |
Average: |
26.6 |
-6.0 |
0.000 |
0 |
0 |
0 |
0.114 |
37 |
45 |
|
[CA]A:416 |
1 |
1 |
85 |
f |
[DGT]A:414 |
x,y,z |
1_555 |
5 |
1 |
579 |
26.4 |
-5.8 |
0.000 |
0 |
0 |
0 |
0.105 |
46 |
|
[CA]B:1416 |
1 |
1 |
85 |
f |
[DGT]B:1414 |
x,y,z |
1_555 |
5 |
1 |
583 |
26.4 |
-5.7 |
0.000 |
0 |
0 |
0 |
0.105 |
Average: |
26.4 |
-5.7 |
0.000 |
0 |
0 |
0 |
0.105 |
38 |
47 |
|
B |
2 |
1 |
17890 |
◊ |
J |
x-1,y,z |
1_455 |
4 |
1 |
4062 |
26.0 |
0.3 |
0.619 |
0 |
0 |
0 |
0.000 |
39 |
48 |
|
A |
2 |
1 |
17812 |
◊ |
J |
x-1,y-1,z-1 |
1_444 |
3 |
1 |
4062 |
21.5 |
-0.1 |
0.522 |
1 |
0 |
0 |
0.000 |
40 |
49 |
|
[2DT]D:814 |
4 |
1 |
426 |
◊ |
E |
x,y,z |
1_555 |
5 |
2 |
4289 |
21.5 |
0.1 |
0.493 |
0 |
0 |
0 |
0.000 |
41 |
50 |
|
[CA]B:1415 |
1 |
1 |
85 |
f |
[DGT]B:1414 |
x,y,z |
1_555 |
4 |
1 |
583 |
21.1 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.072 |
51 |
|
[CA]A:415 |
1 |
1 |
85 |
f |
[DGT]A:414 |
x,y,z |
1_555 |
5 |
1 |
579 |
21.0 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.072 |
Average: |
21.0 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.072 |
42 |
52 |
|
[2DT]D:814 |
3 |
1 |
426 |
◊ |
[CA]A:415 |
x,y,z |
1_555 |
1 |
1 |
85 |
18.5 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.035 |
53 |
|
[2DT]H:1814 |
3 |
1 |
424 |
◊ |
[CA]B:1415 |
x,y,z |
1_555 |
1 |
1 |
85 |
16.5 |
-1.9 |
0.000 |
0 |
0 |
0 |
0.035 |
Average: |
17.5 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.035 |
43 |
54 |
|
[CA]A:417 |
1 |
1 |
85 |
◊ |
D |
x,y,z |
1_555 |
3 |
1 |
2898 |
13.6 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.046 |
55 |
|
[CA]B:1417 |
1 |
1 |
85 |
◊ |
H |
x,y,z |
1_555 |
3 |
1 |
2883 |
13.2 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.046 |
Average: |
13.4 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.046 |
44 |
56 |
|
[2DT]H:1814 |
3 |
1 |
424 |
◊ |
J |
x,y,z |
1_555 |
5 |
2 |
4062 |
13.3 |
0.2 |
0.469 |
0 |
0 |
0 |
0.000 |
45 |
57 |
|
[CA]B:1416 |
1 |
1 |
85 |
f |
[CA]B:1415 |
x,y,z |
1_555 |
1 |
1 |
85 |
8.1 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.045 |
46 |
58 |
|
[CA]A:416 |
1 |
1 |
85 |
f |
[CA]A:415 |
x,y,z |
1_555 |
1 |
1 |
85 |
7.8 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.042 |
|