## |
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 |
|
B |
135 |
18 |
4748 |
◊ |
A |
x,y,z |
1_555 |
134 |
24 |
5502 |
1101.5 |
-9.2 |
0.991 |
47 |
0 |
0 |
0.186 |
2 |
|
D |
129 |
18 |
4762 |
◊ |
C |
x,y,z |
1_555 |
130 |
24 |
5478 |
1100.2 |
-9.8 |
0.988 |
48 |
0 |
0 |
0.186 |
Average: |
1100.8 |
-9.5 |
0.989 |
48 |
0 |
0 |
0.186 |
2 |
3 |
|
[5BU]D:101 |
20 |
1 |
456 |
cf |
D |
x,y,z |
1_555 |
32 |
2 |
4762 |
246.1 |
2.3 |
0.881 |
0 |
0 |
0 |
0.000 |
4 |
|
[5BU]B:101 |
21 |
1 |
448 |
cf |
B |
x,y,z |
1_555 |
32 |
2 |
4748 |
245.5 |
2.6 |
0.886 |
0 |
0 |
0 |
0.000 |
Average: |
245.8 |
2.4 |
0.883 |
0 |
0 |
0 |
0.000 |
3 |
5 |
|
[5BU]D:113 |
21 |
1 |
444 |
cf |
D |
x,y,z |
1_555 |
29 |
2 |
4762 |
227.9 |
2.0 |
0.860 |
1 |
0 |
0 |
0.000 |
6 |
|
[5BU]B:113 |
21 |
1 |
443 |
cf |
B |
x,y,z |
1_555 |
29 |
2 |
4748 |
227.7 |
2.0 |
0.862 |
1 |
0 |
0 |
0.000 |
Average: |
227.8 |
2.0 |
0.861 |
1 |
0 |
0 |
0.000 |
4 |
7 |
|
D |
18 |
1 |
4762 |
◊ |
B |
x-1/2,-y-3/2,-z |
4_435 |
19 |
1 |
4748 |
118.0 |
0.7 |
0.856 |
0 |
0 |
0 |
0.000 |
8 |
|
D |
19 |
1 |
4762 |
◊ |
B |
-x,y-1/2,-z+1/2 |
3_545 |
17 |
1 |
4748 |
115.2 |
2.2 |
0.898 |
0 |
0 |
0 |
0.000 |
Average: |
116.6 |
1.5 |
0.877 |
0 |
0 |
0 |
0.000 |
5 |
9 |
|
C |
16 |
3 |
5478 |
◊ |
A |
x-1/2,-y-1/2,-z |
4_445 |
11 |
3 |
5502 |
111.2 |
-2.6 |
0.684 |
0 |
0 |
0 |
0.000 |
10 |
|
C |
11 |
3 |
5478 |
◊ |
A |
-x-1,y-1/2,-z+1/2 |
3_445 |
15 |
3 |
5502 |
109.7 |
-2.4 |
0.689 |
0 |
0 |
0 |
0.000 |
Average: |
110.4 |
-2.5 |
0.687 |
0 |
0 |
0 |
0.000 |
6 |
11 |
|
C |
15 |
2 |
5478 |
x |
C |
-x-1,y-1/2,-z+1/2 |
3_445 |
13 |
3 |
5478 |
111.0 |
-2.7 |
0.687 |
0 |
0 |
0 |
0.000 |
12 |
|
A |
13 |
3 |
5502 |
x |
A |
x-1/2,-y-1/2,-z |
4_445 |
14 |
2 |
5502 |
109.5 |
-3.0 |
0.657 |
0 |
0 |
0 |
0.000 |
Average: |
110.2 |
-2.9 |
0.672 |
0 |
0 |
0 |
0.000 |
7 |
13 |
|
[SR]A:1001 |
1 |
1 |
206 |
f |
B |
x,y,z |
1_555 |
13 |
5 |
4748 |
92.9 |
-24.0 |
0.000 |
0 |
0 |
0 |
0.220 |
14 |
|
[SR]C:1004 |
1 |
1 |
206 |
f |
D |
x,y,z |
1_555 |
16 |
5 |
4762 |
92.3 |
-23.8 |
0.000 |
0 |
0 |
0 |
0.220 |
Average: |
92.6 |
-23.9 |
0.000 |
0 |
0 |
0 |
0.220 |
8 |
15 |
|
C |
12 |
1 |
5478 |
◊ |
A |
-x,y-1/2,-z+1/2 |
3_545 |
11 |
1 |
5502 |
91.7 |
1.8 |
0.886 |
0 |
0 |
0 |
0.000 |
16 |
|
C |
11 |
1 |
5478 |
◊ |
A |
x-1/2,-y-3/2,-z |
4_435 |
11 |
1 |
5502 |
87.9 |
-0.0 |
0.722 |
0 |
0 |
0 |
0.000 |
Average: |
89.8 |
0.9 |
0.804 |
0 |
0 |
0 |
0.000 |
9 |
17 |
|
[SR]C:1003 |
1 |
1 |
206 |
f |
C |
x,y,z |
1_555 |
13 |
5 |
5478 |
90.1 |
-24.2 |
0.000 |
0 |
0 |
0 |
0.386 |
18 |
|
[SR]A:1002 |
1 |
1 |
206 |
f |
A |
x,y,z |
1_555 |
12 |
5 |
5502 |
89.6 |
-23.9 |
0.000 |
0 |
0 |
0 |
0.386 |
Average: |
89.9 |
-24.1 |
0.000 |
0 |
0 |
0 |
0.386 |
10 |
19 |
|
B |
8 |
2 |
4748 |
◊ |
C |
x,y,z |
1_555 |
10 |
2 |
5478 |
89.7 |
-3.2 |
0.502 |
0 |
0 |
0 |
0.017 |
20 |
|
D |
8 |
2 |
4762 |
◊ |
A |
x,y,z |
1_555 |
10 |
2 |
5502 |
87.4 |
-2.8 |
0.530 |
0 |
0 |
0 |
0.017 |
Average: |
88.6 |
-3.0 |
0.516 |
0 |
0 |
0 |
0.017 |
11 |
21 |
|
[5BU]B:113 |
10 |
1 |
443 |
◊ |
A |
x,y,z |
1_555 |
10 |
3 |
5502 |
83.4 |
1.5 |
0.810 |
1 |
0 |
0 |
0.000 |
22 |
|
[5BU]D:113 |
10 |
1 |
444 |
◊ |
C |
x,y,z |
1_555 |
11 |
3 |
5478 |
82.7 |
1.7 |
0.815 |
1 |
0 |
0 |
0.000 |
Average: |
83.1 |
1.6 |
0.813 |
1 |
0 |
0 |
0.000 |
12 |
23 |
|
[SR]C:1003 |
1 |
1 |
206 |
◊ |
D |
x,y,z |
1_555 |
11 |
4 |
4762 |
80.0 |
-20.3 |
0.000 |
0 |
0 |
0 |
0.122 |
24 |
|
[SR]A:1002 |
1 |
1 |
206 |
◊ |
B |
x,y,z |
1_555 |
12 |
5 |
4748 |
78.7 |
-20.1 |
0.000 |
0 |
0 |
0 |
0.122 |
Average: |
79.4 |
-20.2 |
0.000 |
0 |
0 |
0 |
0.122 |
13 |
25 |
|
[SR]A:1005 |
1 |
1 |
206 |
f |
A |
x,y,z |
1_555 |
14 |
4 |
5502 |
77.2 |
-18.5 |
0.000 |
0 |
0 |
0 |
0.293 |
26 |
|
[SR]C:1008 |
1 |
1 |
206 |
f |
C |
x,y,z |
1_555 |
14 |
5 |
5478 |
76.2 |
-17.9 |
0.000 |
0 |
0 |
0 |
0.293 |
Average: |
76.7 |
-18.2 |
0.000 |
0 |
0 |
0 |
0.293 |
14 |
27 |
|
[SR]C:1004 |
1 |
1 |
206 |
◊ |
C |
x,y,z |
1_555 |
11 |
5 |
5478 |
75.2 |
-17.9 |
0.000 |
0 |
0 |
0 |
0.108 |
28 |
|
[SR]A:1001 |
1 |
1 |
206 |
◊ |
A |
x,y,z |
1_555 |
11 |
5 |
5502 |
75.0 |
-17.9 |
0.000 |
0 |
0 |
0 |
0.108 |
Average: |
75.1 |
-17.9 |
0.000 |
0 |
0 |
0 |
0.108 |
15 |
29 |
|
[5BU]D:101 |
5 |
1 |
456 |
◊ |
C |
x,y,z |
1_555 |
8 |
3 |
5478 |
61.1 |
0.3 |
0.708 |
1 |
0 |
0 |
0.000 |
30 |
|
[5BU]B:101 |
5 |
1 |
448 |
◊ |
A |
x,y,z |
1_555 |
7 |
3 |
5502 |
60.5 |
0.4 |
0.699 |
1 |
0 |
0 |
0.000 |
Average: |
60.8 |
0.4 |
0.704 |
1 |
0 |
0 |
0.001 |
16 |
31 |
|
D |
7 |
2 |
4762 |
f |
[SR]C:1009 |
-x-1,y-1/2,-z+1/2 |
3_445 |
1 |
1 |
206 |
56.9 |
-12.8 |
0.000 |
0 |
0 |
0 |
0.118 |
32 |
|
[SR]A:1006 |
1 |
1 |
206 |
f |
B |
x-1/2,-y-1/2,-z |
4_445 |
7 |
2 |
4748 |
56.6 |
-12.7 |
0.000 |
0 |
0 |
0 |
0.118 |
Average: |
56.7 |
-12.7 |
0.000 |
0 |
0 |
0 |
0.118 |
17 |
33 |
|
D |
5 |
2 |
4762 |
◊ |
A |
-x,y-1/2,-z+1/2 |
3_545 |
4 |
1 |
5502 |
56.8 |
-1.0 |
0.565 |
3 |
0 |
0 |
0.000 |
34 |
|
C |
5 |
1 |
5478 |
◊ |
B |
x-1/2,-y-3/2,-z |
4_435 |
5 |
2 |
4748 |
53.1 |
-0.9 |
0.588 |
3 |
0 |
0 |
0.000 |
Average: |
55.0 |
-0.9 |
0.577 |
3 |
0 |
0 |
0.000 |
18 |
35 |
|
[SR]A:1027 |
1 |
1 |
206 |
f |
A |
x,y,z |
1_555 |
8 |
2 |
5502 |
56.3 |
-12.6 |
0.000 |
0 |
0 |
0 |
0.199 |
36 |
|
[SR]C:1022 |
1 |
1 |
206 |
f |
C |
x,y,z |
1_555 |
7 |
3 |
5478 |
55.5 |
-12.1 |
0.000 |
0 |
0 |
0 |
0.199 |
Average: |
55.9 |
-12.4 |
0.000 |
0 |
0 |
0 |
0.199 |
19 |
37 |
|
C |
7 |
6 |
5478 |
◊ |
A |
x,y,z |
1_555 |
7 |
6 |
5502 |
54.4 |
-2.3 |
0.525 |
0 |
0 |
0 |
0.019 |
20 |
38 |
|
[5BU]B:113 |
4 |
1 |
443 |
◊ |
C |
x,y,z |
1_555 |
8 |
3 |
5478 |
50.5 |
0.0 |
0.658 |
0 |
0 |
0 |
0.000 |
39 |
|
[5BU]D:113 |
4 |
1 |
444 |
◊ |
A |
x,y,z |
1_555 |
8 |
3 |
5502 |
49.2 |
-0.0 |
0.647 |
0 |
0 |
0 |
0.000 |
Average: |
49.8 |
0.0 |
0.652 |
0 |
0 |
0 |
0.000 |
21 |
40 |
|
[SR]A:1006 |
1 |
1 |
206 |
◊ |
A |
x,y,z |
1_555 |
6 |
4 |
5502 |
49.3 |
-11.5 |
0.000 |
0 |
0 |
0 |
0.104 |
41 |
|
[SR]C:1009 |
1 |
1 |
206 |
◊ |
C |
x,y,z |
1_555 |
5 |
3 |
5478 |
45.1 |
-10.7 |
0.000 |
0 |
0 |
0 |
0.104 |
Average: |
47.2 |
-11.1 |
0.000 |
0 |
0 |
0 |
0.104 |
22 |
42 |
|
[SR]A:1027 |
1 |
1 |
206 |
◊ |
A |
x-1/2,-y-1/2,-z |
4_445 |
10 |
2 |
5502 |
48.4 |
-10.3 |
0.000 |
0 |
0 |
0 |
0.000 |
43 |
|
C |
9 |
2 |
5478 |
◊ |
[SR]C:1022 |
-x-1,y-1/2,-z+1/2 |
3_445 |
1 |
1 |
206 |
47.4 |
-10.0 |
0.000 |
0 |
0 |
0 |
0.000 |
Average: |
47.9 |
-10.1 |
0.000 |
0 |
0 |
0 |
0.000 |
23 |
44 |
|
[SR]A:1027 |
1 |
1 |
206 |
◊ |
B |
x-1/2,-y-1/2,-z |
4_445 |
7 |
2 |
4748 |
41.4 |
-9.3 |
0.000 |
0 |
0 |
0 |
0.085 |
45 |
|
D |
7 |
2 |
4762 |
◊ |
[SR]C:1022 |
-x-1,y-1/2,-z+1/2 |
3_445 |
1 |
1 |
206 |
40.7 |
-9.1 |
0.000 |
0 |
0 |
0 |
0.085 |
Average: |
41.0 |
-9.2 |
0.000 |
0 |
0 |
0 |
0.085 |
24 |
46 |
|
D |
4 |
3 |
4762 |
◊ |
B |
x,y,z |
1_555 |
4 |
3 |
4748 |
39.0 |
-0.1 |
0.600 |
0 |
0 |
0 |
0.000 |
25 |
47 |
|
[SR]A:1006 |
1 |
1 |
206 |
◊ |
A |
x-1/2,-y-1/2,-z |
4_445 |
4 |
1 |
5502 |
33.1 |
-7.6 |
0.000 |
0 |
0 |
0 |
0.046 |
48 |
|
C |
4 |
1 |
5478 |
◊ |
[SR]C:1009 |
-x-1,y-1/2,-z+1/2 |
3_445 |
1 |
1 |
206 |
31.5 |
-7.2 |
0.000 |
0 |
0 |
0 |
0.046 |
Average: |
32.3 |
-7.4 |
0.000 |
0 |
0 |
0 |
0.046 |
26 |
49 |
|
A |
6 |
3 |
5502 |
◊ |
B |
x-1/2,-y-1/2,-z |
4_445 |
6 |
2 |
4748 |
30.4 |
-1.5 |
0.542 |
0 |
0 |
0 |
0.014 |
50 |
|
D |
8 |
2 |
4762 |
◊ |
C |
-x-1,y-1/2,-z+1/2 |
3_445 |
6 |
3 |
5478 |
30.2 |
-1.4 |
0.551 |
0 |
0 |
0 |
0.014 |
Average: |
30.3 |
-1.5 |
0.547 |
0 |
0 |
0 |
0.014 |
27 |
51 |
|
[SR]C:1022 |
1 |
1 |
206 |
◊ |
A |
x,y,z |
1_555 |
6 |
3 |
5502 |
28.9 |
-6.6 |
0.000 |
0 |
0 |
0 |
0.104 |
52 |
|
[SR]A:1027 |
1 |
1 |
206 |
◊ |
C |
x,y,z |
1_555 |
6 |
3 |
5478 |
27.2 |
-6.4 |
0.000 |
0 |
0 |
0 |
0.104 |
Average: |
28.0 |
-6.5 |
0.000 |
0 |
0 |
0 |
0.104 |
28 |
53 |
|
[SR]C:1008 |
1 |
1 |
206 |
◊ |
D |
x,y,z |
1_555 |
4 |
4 |
4762 |
22.2 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.028 |
54 |
|
[SR]A:1005 |
1 |
1 |
206 |
◊ |
B |
x,y,z |
1_555 |
3 |
3 |
4748 |
20.4 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.028 |
Average: |
21.3 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.028 |
29 |
55 |
|
C |
1 |
1 |
5478 |
◊ |
[5BU]D:101 |
x-1/2,-y-3/2,-z |
4_435 |
1 |
1 |
456 |
6.6 |
-0.7 |
0.238 |
0 |
0 |
0 |
0.000 |
56 |
|
[5BU]B:101 |
1 |
1 |
448 |
◊ |
A |
-x,y-1/2,-z+1/2 |
3_545 |
1 |
1 |
5502 |
4.9 |
-0.5 |
0.241 |
0 |
0 |
0 |
0.000 |
Average: |
5.7 |
-0.6 |
0.240 |
0 |
0 |
0 |
0.000 |
30 |
57 |
|
D |
2 |
1 |
4762 |
◊ |
[SR]A:1006 |
x,y-1,z |
1_545 |
1 |
1 |
206 |
6.4 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.000 |
58 |
|
[SR]C:1009 |
1 |
1 |
206 |
◊ |
B |
x-1,y,z |
1_455 |
2 |
1 |
4748 |
4.9 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.000 |
Average: |
5.6 |
-1.4 |
0.000 |
0 |
0 |
0 |
0.000 |
31 |
59 |
|
C |
2 |
1 |
5478 |
◊ |
D |
x-1/2,-y-3/2,-z |
4_435 |
1 |
1 |
4762 |
5.2 |
0.3 |
0.647 |
0 |
0 |
0 |
0.000 |
60 |
|
B |
1 |
1 |
4748 |
◊ |
A |
-x,y-1/2,-z+1/2 |
3_545 |
1 |
1 |
5502 |
4.0 |
0.3 |
0.633 |
0 |
0 |
0 |
0.000 |
Average: |
4.6 |
0.3 |
0.640 |
0 |
0 |
0 |
0.000 |
32 |
61 |
|
[SR]C:1009 |
1 |
1 |
206 |
◊ |
A |
x-1,y,z |
1_455 |
1 |
1 |
5502 |
5.1 |
-1.3 |
0.000 |
0 |
0 |
0 |
0.000 |
62 |
|
C |
1 |
1 |
5478 |
◊ |
[SR]A:1006 |
x,y-1,z |
1_545 |
1 |
1 |
206 |
2.9 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.000 |
Average: |
4.0 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.000 |
33 |
63 |
|
A |
1 |
1 |
5502 |
x |
A |
-x,y-1/2,-z+1/2 |
3_545 |
1 |
1 |
5502 |
1.9 |
-0.2 |
0.302 |
0 |
0 |
0 |
0.000 |
64 |
|
C |
1 |
1 |
5478 |
x |
C |
x-1/2,-y-3/2,-z |
4_435 |
1 |
1 |
5478 |
0.9 |
-0.1 |
0.331 |
0 |
0 |
0 |
0.000 |
Average: |
1.4 |
-0.2 |
0.316 |
0 |
0 |
0 |
0.000 |
|