## |
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 |
478 |
132 |
18621 |
◊ |
C |
x,y,z |
1_555 |
481 |
135 |
19092 |
4595.5 |
-57.9 |
0.037 |
72 |
8 |
0 |
0.832 |
2 |
|
B |
447 |
126 |
18878 |
◊ |
A |
x,y,z |
1_555 |
459 |
129 |
19209 |
4323.9 |
-57.9 |
0.039 |
68 |
8 |
0 |
0.832 |
Average: |
4459.7 |
-57.9 |
0.038 |
70 |
8 |
0 |
0.832 |
2 |
3 |
|
C |
122 |
37 |
19092 |
◊ |
B |
x,y,z |
1_555 |
118 |
37 |
18878 |
1176.9 |
-16.5 |
0.109 |
17 |
10 |
0 |
0.563 |
4 |
|
D |
115 |
38 |
18621 |
◊ |
A |
x,y,z |
1_555 |
123 |
38 |
19209 |
1174.8 |
-18.6 |
0.050 |
14 |
8 |
0 |
0.563 |
Average: |
1175.9 |
-17.6 |
0.080 |
16 |
9 |
0 |
0.563 |
3 |
5 |
|
D |
57 |
19 |
18621 |
◊ |
B |
x,y,z |
1_555 |
59 |
20 |
18878 |
578.8 |
-12.9 |
0.025 |
4 |
0 |
0 |
0.429 |
6 |
|
C |
53 |
19 |
19092 |
◊ |
A |
x,y,z |
1_555 |
57 |
20 |
19209 |
576.1 |
-13.0 |
0.017 |
4 |
0 |
0 |
0.429 |
Average: |
577.5 |
-12.9 |
0.021 |
4 |
0 |
0 |
0.429 |
4 |
7 |
|
[NAP]A:1 |
48 |
1 |
948 |
f |
A |
x,y,z |
1_555 |
66 |
28 |
19209 |
566.9 |
-1.2 |
0.647 |
16 |
0 |
0 |
0.466 |
8 |
|
[NAP]B:2 |
46 |
1 |
951 |
f |
B |
x,y,z |
1_555 |
68 |
29 |
18878 |
540.3 |
-1.7 |
0.651 |
14 |
0 |
0 |
0.466 |
9 |
|
[NAP]C:3 |
47 |
1 |
948 |
f |
C |
x,y,z |
1_555 |
68 |
28 |
19092 |
537.9 |
-1.6 |
0.622 |
14 |
0 |
0 |
0.466 |
10 |
|
[NAP]D:4 |
46 |
1 |
952 |
f |
D |
x,y,z |
1_555 |
68 |
28 |
18621 |
526.9 |
-1.0 |
0.664 |
15 |
0 |
0 |
0.466 |
Average: |
543.0 |
-1.3 |
0.646 |
15 |
0 |
0 |
0.466 |
5 |
11 |
|
[COA]D:104 |
39 |
1 |
932 |
f |
D |
x,y,z |
1_555 |
66 |
21 |
18621 |
501.1 |
2.4 |
0.685 |
10 |
0 |
0 |
0.123 |
12 |
|
[COA]A:101 |
40 |
1 |
941 |
f |
A |
x,y,z |
1_555 |
71 |
23 |
19209 |
500.4 |
1.6 |
0.646 |
7 |
0 |
0 |
0.123 |
13 |
|
[COA]C:103 |
37 |
1 |
939 |
f |
C |
x,y,z |
1_555 |
66 |
21 |
19092 |
493.8 |
1.5 |
0.620 |
7 |
0 |
0 |
0.123 |
14 |
|
[COA]B:102 |
37 |
1 |
936 |
f |
B |
x,y,z |
1_555 |
65 |
21 |
18878 |
480.2 |
1.2 |
0.678 |
8 |
0 |
0 |
0.123 |
Average: |
493.9 |
1.7 |
0.657 |
8 |
0 |
0 |
0.123 |
6 |
15 |
|
A |
44 |
14 |
19209 |
◊ |
D |
x-1,y,z |
1_455 |
39 |
16 |
18621 |
373.3 |
-1.6 |
0.622 |
4 |
2 |
0 |
0.000 |
7 |
16 |
|
D |
28 |
8 |
18621 |
◊ |
B |
-x,y-1/2,-z+1 |
2_546 |
36 |
11 |
18878 |
319.2 |
-0.1 |
0.683 |
7 |
2 |
0 |
0.000 |
8 |
17 |
|
B |
40 |
12 |
18878 |
◊ |
D |
x-1,y,z-1 |
1_454 |
32 |
7 |
18621 |
292.8 |
-1.0 |
0.663 |
2 |
0 |
0 |
0.020 |
9 |
18 |
|
[NAP]D:4 |
25 |
1 |
952 |
◊ |
C |
x,y,z |
1_555 |
33 |
9 |
19092 |
207.3 |
-2.6 |
0.411 |
3 |
0 |
0 |
0.076 |
19 |
|
[NAP]C:3 |
24 |
1 |
948 |
◊ |
D |
x,y,z |
1_555 |
32 |
10 |
18621 |
203.2 |
-2.8 |
0.390 |
4 |
0 |
0 |
0.076 |
20 |
|
[NAP]B:2 |
17 |
1 |
951 |
◊ |
A |
x,y,z |
1_555 |
25 |
8 |
19209 |
152.6 |
-2.1 |
0.449 |
1 |
0 |
0 |
0.076 |
21 |
|
[NAP]A:1 |
12 |
1 |
948 |
◊ |
B |
x,y,z |
1_555 |
22 |
7 |
18878 |
117.5 |
-1.3 |
0.501 |
0 |
0 |
0 |
0.076 |
Average: |
170.1 |
-2.2 |
0.438 |
2 |
0 |
0 |
0.076 |
10 |
22 |
|
C |
17 |
8 |
19092 |
x |
C |
x-1,y,z |
1_455 |
25 |
7 |
19092 |
192.0 |
-2.9 |
0.221 |
0 |
0 |
0 |
0.000 |
11 |
23 |
|
A |
22 |
7 |
19209 |
x |
A |
x-1,y,z |
1_455 |
17 |
6 |
19209 |
164.7 |
2.0 |
0.867 |
2 |
2 |
0 |
0.000 |
12 |
24 |
|
[COA]D:104 |
19 |
1 |
932 |
◊ |
C |
x,y,z |
1_555 |
18 |
6 |
19092 |
152.7 |
-1.8 |
0.368 |
1 |
0 |
0 |
0.031 |
25 |
|
[COA]A:101 |
16 |
1 |
941 |
◊ |
B |
x,y,z |
1_555 |
17 |
6 |
18878 |
149.0 |
-0.9 |
0.446 |
1 |
0 |
0 |
0.031 |
26 |
|
[COA]B:102 |
17 |
1 |
936 |
◊ |
A |
x,y,z |
1_555 |
17 |
4 |
19209 |
144.9 |
-1.3 |
0.381 |
1 |
0 |
0 |
0.031 |
27 |
|
[COA]C:103 |
16 |
1 |
939 |
◊ |
D |
x,y,z |
1_555 |
16 |
4 |
18621 |
142.6 |
-0.8 |
0.409 |
1 |
0 |
0 |
0.031 |
Average: |
147.3 |
-1.2 |
0.401 |
1 |
0 |
0 |
0.031 |
13 |
28 |
|
B |
15 |
5 |
18878 |
◊ |
C |
x-1,y,z |
1_455 |
16 |
5 |
19092 |
145.6 |
-0.2 |
0.678 |
1 |
0 |
0 |
0.000 |
14 |
29 |
|
B |
19 |
5 |
18878 |
◊ |
D |
x-1,y,z |
1_455 |
11 |
4 |
18621 |
129.4 |
1.2 |
0.832 |
1 |
3 |
0 |
0.000 |
15 |
30 |
|
B |
13 |
3 |
18878 |
◊ |
A |
x-1,y,z |
1_455 |
19 |
7 |
19209 |
121.4 |
-1.8 |
0.381 |
0 |
0 |
0 |
0.000 |
16 |
31 |
|
B |
14 |
5 |
18878 |
◊ |
D |
x,y,z-1 |
1_554 |
18 |
4 |
18621 |
119.3 |
-1.3 |
0.375 |
1 |
0 |
0 |
0.000 |
17 |
32 |
|
[MAH]B:202 |
9 |
1 |
302 |
◊ |
B |
x,y,z |
1_555 |
17 |
9 |
18878 |
109.3 |
3.3 |
0.596 |
2 |
0 |
0 |
0.000 |
33 |
|
[MAH]C:204 |
9 |
1 |
302 |
◊ |
D |
x,y,z |
1_555 |
17 |
9 |
18621 |
107.9 |
3.1 |
0.575 |
2 |
0 |
0 |
0.000 |
34 |
|
[MAH]D:203 |
9 |
1 |
301 |
◊ |
C |
x,y,z |
1_555 |
19 |
9 |
19092 |
107.7 |
3.0 |
0.573 |
2 |
0 |
0 |
0.000 |
35 |
|
[MAH]A:201 |
9 |
1 |
302 |
◊ |
A |
x,y,z |
1_555 |
18 |
9 |
19209 |
106.5 |
3.1 |
0.581 |
2 |
0 |
0 |
0.000 |
Average: |
107.9 |
3.1 |
0.581 |
2 |
0 |
0 |
0.000 |
18 |
36 |
|
[MAH]B:202 |
10 |
1 |
302 |
f |
A |
x,y,z |
1_555 |
18 |
8 |
19209 |
95.4 |
2.5 |
0.244 |
6 |
0 |
0 |
0.017 |
37 |
|
[MAH]A:201 |
10 |
1 |
302 |
f |
B |
x,y,z |
1_555 |
16 |
8 |
18878 |
94.9 |
2.4 |
0.227 |
5 |
0 |
0 |
0.017 |
38 |
|
[MAH]D:203 |
10 |
1 |
301 |
f |
D |
x,y,z |
1_555 |
17 |
8 |
18621 |
94.1 |
2.5 |
0.226 |
7 |
0 |
0 |
0.017 |
39 |
|
[MAH]C:204 |
10 |
1 |
302 |
f |
C |
x,y,z |
1_555 |
18 |
8 |
19092 |
93.8 |
2.4 |
0.226 |
6 |
0 |
0 |
0.017 |
Average: |
94.5 |
2.4 |
0.231 |
6 |
0 |
0 |
0.017 |
19 |
40 |
|
[NAP]B:2 |
9 |
1 |
951 |
f |
[MAH]A:201 |
x,y,z |
1_555 |
6 |
1 |
302 |
53.8 |
0.1 |
0.226 |
1 |
0 |
0 |
0.005 |
41 |
|
[NAP]A:1 |
9 |
1 |
948 |
f |
[MAH]B:202 |
x,y,z |
1_555 |
6 |
1 |
302 |
52.9 |
0.2 |
0.225 |
1 |
0 |
0 |
0.005 |
42 |
|
[NAP]D:4 |
9 |
1 |
952 |
f |
[MAH]D:203 |
x,y,z |
1_555 |
6 |
1 |
301 |
51.0 |
0.2 |
0.224 |
0 |
0 |
0 |
0.005 |
43 |
|
[NAP]C:3 |
9 |
1 |
948 |
f |
[MAH]C:204 |
x,y,z |
1_555 |
6 |
1 |
302 |
49.9 |
0.2 |
0.224 |
0 |
0 |
0 |
0.005 |
Average: |
51.9 |
0.2 |
0.225 |
1 |
0 |
0 |
0.005 |
20 |
44 |
|
[COA]A:101 |
4 |
1 |
941 |
◊ |
D |
x-1,y,z |
1_455 |
7 |
2 |
18621 |
40.7 |
-0.8 |
0.369 |
0 |
0 |
0 |
0.000 |
21 |
45 |
|
C |
9 |
2 |
19092 |
x |
C |
x,y,z-1 |
1_554 |
3 |
1 |
19092 |
38.6 |
0.2 |
0.654 |
0 |
0 |
0 |
0.000 |
22 |
46 |
|
[MAH]A:201 |
5 |
1 |
302 |
◊ |
[COA]A:101 |
x,y,z |
1_555 |
4 |
1 |
941 |
37.8 |
2.2 |
0.327 |
0 |
0 |
0 |
0.000 |
47 |
|
[MAH]C:204 |
5 |
1 |
302 |
◊ |
[COA]D:104 |
x,y,z |
1_555 |
3 |
1 |
932 |
36.7 |
2.1 |
0.334 |
0 |
0 |
0 |
0.000 |
48 |
|
[MAH]D:203 |
5 |
1 |
301 |
◊ |
[COA]C:103 |
x,y,z |
1_555 |
3 |
1 |
939 |
36.5 |
1.8 |
0.351 |
0 |
0 |
0 |
0.000 |
49 |
|
[MAH]B:202 |
5 |
1 |
302 |
◊ |
[COA]B:102 |
x,y,z |
1_555 |
3 |
1 |
936 |
35.4 |
1.7 |
0.318 |
0 |
0 |
0 |
0.000 |
Average: |
36.6 |
2.0 |
0.332 |
0 |
0 |
0 |
0.000 |
23 |
50 |
|
C |
1 |
1 |
19092 |
◊ |
D |
x,y,z-1 |
1_554 |
2 |
1 |
18621 |
26.5 |
0.1 |
0.405 |
0 |
0 |
0 |
0.000 |
24 |
51 |
|
[NAP]B:2 |
7 |
1 |
951 |
◊ |
[COA]A:101 |
x,y,z |
1_555 |
3 |
1 |
941 |
21.5 |
0.5 |
0.575 |
0 |
0 |
0 |
0.000 |
52 |
|
[NAP]C:3 |
5 |
1 |
948 |
◊ |
[COA]D:104 |
x,y,z |
1_555 |
2 |
1 |
932 |
18.3 |
0.7 |
0.619 |
0 |
0 |
0 |
0.000 |
53 |
|
[NAP]A:1 |
5 |
1 |
948 |
◊ |
[COA]B:102 |
x,y,z |
1_555 |
4 |
1 |
936 |
16.0 |
0.4 |
0.531 |
0 |
0 |
0 |
0.000 |
54 |
|
[NAP]D:4 |
5 |
1 |
952 |
◊ |
[COA]C:103 |
x,y,z |
1_555 |
2 |
1 |
939 |
16.0 |
0.6 |
0.626 |
0 |
0 |
0 |
0.000 |
Average: |
18.0 |
0.5 |
0.588 |
0 |
0 |
0 |
0.000 |
25 |
55 |
|
C |
2 |
1 |
19092 |
◊ |
B |
-x,y-1/2,-z+1 |
2_546 |
4 |
2 |
18878 |
20.9 |
-0.0 |
0.583 |
0 |
0 |
0 |
0.000 |
26 |
56 |
|
[NAP]B:2 |
1 |
1 |
951 |
◊ |
D |
x-1,y,z-1 |
1_454 |
1 |
1 |
18621 |
15.1 |
0.7 |
0.788 |
0 |
0 |
0 |
0.000 |
27 |
57 |
|
[COA]A:101 |
1 |
1 |
941 |
◊ |
A |
x-1,y,z |
1_455 |
1 |
1 |
19209 |
4.8 |
-0.2 |
0.400 |
0 |
0 |
0 |
0.000 |
|