| ## |
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 |
|
A |
235 |
65 |
18732 |
◊ |
A |
x,-y,-z |
4_555 |
235 |
65 |
18732 |
2241.6 |
-28.5 |
0.015 |
1 |
4 |
0 |
0.101 |
2 |
|
C |
220 |
61 |
18870 |
◊ |
B |
x,y,z |
1_555 |
237 |
65 |
18905 |
2160.6 |
-25.8 |
0.026 |
5 |
3 |
0 |
0.101 |
| Average: |
2201.1 |
-27.1 |
0.020 |
3 |
4 |
0 |
0.101 |
| 2 |
3 |
|
C |
64 |
18 |
18870 |
◊ |
A |
-x+2,y,-z+1/2 |
3_755 |
55 |
17 |
18732 |
509.0 |
1.8 |
0.796 |
1 |
5 |
0 |
0.000 |
4 |
|
A |
56 |
16 |
18732 |
◊ |
C |
-x+5/2,y-1/2,-z+1/2 |
7_745 |
50 |
15 |
18870 |
464.8 |
-0.3 |
0.538 |
1 |
2 |
0 |
0.000 |
| Average: |
486.9 |
0.8 |
0.667 |
1 |
4 |
0 |
0.000 |
| 3 |
5 |
|
[NAG]B:401 |
11 |
1 |
362 |
cf |
B |
x,y,z |
1_555 |
21 |
9 |
18905 |
157.0 |
3.5 |
0.413 |
0 |
0 |
0 |
0.000 |
| 4 |
6 |
|
[NAG]A:401 |
11 |
1 |
362 |
cf |
A |
x,y,z |
1_555 |
22 |
9 |
18732 |
156.5 |
3.6 |
0.416 |
1 |
0 |
0 |
0.000 |
| 5 |
7 |
|
[NAG]C:401 |
10 |
1 |
362 |
cf |
C |
x,y,z |
1_555 |
19 |
9 |
18870 |
150.3 |
3.8 |
0.484 |
0 |
0 |
0 |
0.000 |
| 6 |
8 |
|
B |
12 |
5 |
18905 |
◊ |
B |
-x+2,y,-z+1/2 |
3_755 |
12 |
5 |
18905 |
121.1 |
-0.7 |
0.468 |
0 |
0 |
0 |
0.000 |
| 7 |
9 |
|
B |
10 |
7 |
18905 |
◊ |
A |
x,y,z |
1_555 |
20 |
10 |
18732 |
113.8 |
1.6 |
0.764 |
1 |
4 |
0 |
0.000 |
| 8 |
10 |
|
[NAG]C:402 |
9 |
1 |
363 |
cf |
[NAG]C:401 |
x,y,z |
1_555 |
5 |
1 |
362 |
74.7 |
2.0 |
0.146 |
0 |
0 |
0 |
0.000 |
| 9 |
11 |
|
[NAG]B:402 |
8 |
1 |
361 |
cf |
[NAG]B:401 |
x,y,z |
1_555 |
7 |
1 |
362 |
72.5 |
1.6 |
0.092 |
0 |
0 |
0 |
0.000 |
12 |
|
[NAG]A:402 |
9 |
1 |
362 |
cf |
[NAG]A:401 |
x,y,z |
1_555 |
6 |
1 |
362 |
71.9 |
1.6 |
0.089 |
0 |
0 |
0 |
0.000 |
| Average: |
72.2 |
1.6 |
0.091 |
0 |
0 |
0 |
0.000 |
| 10 |
13 |
|
[CA]C:405 |
1 |
1 |
85 |
f |
C |
x,y,z |
1_555 |
8 |
6 |
18870 |
48.3 |
-11.5 |
0.000 |
0 |
0 |
0 |
0.078 |
14 |
|
[CA]B:410 |
1 |
1 |
85 |
f |
B |
x,y,z |
1_555 |
7 |
5 |
18905 |
47.8 |
-11.6 |
0.000 |
0 |
0 |
0 |
0.078 |
15 |
|
[CA]A:405 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
9 |
6 |
18732 |
47.3 |
-11.2 |
0.000 |
0 |
0 |
0 |
0.078 |
| Average: |
47.8 |
-11.4 |
0.000 |
0 |
0 |
0 |
0.078 |
| 11 |
16 |
|
B |
4 |
3 |
18905 |
◊ |
A |
-x+2,y,-z+1/2 |
3_755 |
7 |
5 |
18732 |
46.6 |
-0.3 |
0.503 |
0 |
0 |
0 |
0.000 |
| 12 |
17 |
|
[CA]A:412 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
8 |
5 |
18732 |
45.9 |
-9.3 |
0.000 |
0 |
0 |
0 |
0.064 |
18 |
|
[CA]B:413 |
1 |
1 |
85 |
f |
B |
x,y,z |
1_555 |
8 |
4 |
18905 |
45.6 |
-8.9 |
0.000 |
0 |
0 |
0 |
0.064 |
19 |
|
[CA]C:407 |
1 |
1 |
85 |
f |
C |
x,y,z |
1_555 |
9 |
5 |
18870 |
45.3 |
-8.8 |
0.000 |
0 |
0 |
0 |
0.064 |
| Average: |
45.6 |
-9.0 |
0.000 |
0 |
0 |
0 |
0.064 |
| 13 |
20 |
|
[CA]B:414 |
1 |
1 |
85 |
f |
B |
x,y,z |
1_555 |
6 |
4 |
18905 |
45.5 |
-10.1 |
0.000 |
0 |
0 |
0 |
0.073 |
21 |
|
[CA]C:408 |
1 |
1 |
85 |
f |
C |
x,y,z |
1_555 |
6 |
4 |
18870 |
44.4 |
-10.3 |
0.000 |
0 |
0 |
0 |
0.073 |
22 |
|
[CA]A:413 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
6 |
4 |
18732 |
44.0 |
-10.7 |
0.000 |
0 |
0 |
0 |
0.073 |
| Average: |
44.6 |
-10.3 |
0.000 |
0 |
0 |
0 |
0.073 |
| 14 |
23 |
|
[CA]B:409 |
1 |
1 |
85 |
f |
B |
x,y,z |
1_555 |
6 |
4 |
18905 |
44.2 |
-12.0 |
0.000 |
0 |
0 |
0 |
0.080 |
24 |
|
[CA]C:404 |
1 |
1 |
85 |
f |
C |
x,y,z |
1_555 |
6 |
4 |
18870 |
43.5 |
-11.6 |
0.000 |
0 |
0 |
0 |
0.080 |
25 |
|
[CA]A:404 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
6 |
4 |
18732 |
36.4 |
-9.8 |
0.000 |
0 |
0 |
0 |
0.080 |
| Average: |
41.4 |
-11.1 |
0.000 |
0 |
0 |
0 |
0.080 |
| 15 |
26 |
|
[CA]A:403 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
7 |
4 |
18732 |
44.1 |
-11.0 |
0.000 |
0 |
0 |
0 |
0.076 |
27 |
|
[CA]C:403 |
1 |
1 |
85 |
f |
C |
x,y,z |
1_555 |
6 |
4 |
18870 |
43.7 |
-11.5 |
0.000 |
0 |
0 |
0 |
0.076 |
28 |
|
[CA]B:408 |
1 |
1 |
85 |
f |
B |
x,y,z |
1_555 |
7 |
4 |
18905 |
43.6 |
-11.1 |
0.000 |
0 |
0 |
0 |
0.076 |
| Average: |
43.8 |
-11.2 |
0.000 |
0 |
0 |
0 |
0.076 |
| 16 |
29 |
|
[CA]B:415 |
1 |
1 |
85 |
f |
B |
x,y,z |
1_555 |
6 |
3 |
18905 |
42.5 |
-10.0 |
0.000 |
0 |
0 |
0 |
0.063 |
30 |
|
[CA]C:409 |
1 |
1 |
85 |
f |
C |
x,y,z |
1_555 |
6 |
3 |
18870 |
40.1 |
-8.8 |
0.000 |
0 |
0 |
0 |
0.063 |
31 |
|
[CA]A:414 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
8 |
4 |
18732 |
39.8 |
-8.4 |
0.000 |
0 |
0 |
0 |
0.063 |
| Average: |
40.8 |
-9.0 |
0.000 |
0 |
0 |
0 |
0.063 |
| 17 |
32 |
|
[CA]A:415 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
7 |
4 |
18732 |
41.6 |
-7.5 |
0.000 |
0 |
0 |
0 |
0.051 |
33 |
|
[CA]C:414 |
1 |
1 |
85 |
f |
C |
x,y,z |
1_555 |
6 |
4 |
18870 |
40.6 |
-7.2 |
0.000 |
0 |
0 |
0 |
0.051 |
34 |
|
[CA]B:416 |
1 |
1 |
85 |
f |
B |
x,y,z |
1_555 |
7 |
4 |
18905 |
40.4 |
-7.3 |
0.000 |
0 |
0 |
0 |
0.051 |
| Average: |
40.9 |
-7.3 |
0.000 |
0 |
0 |
0 |
0.051 |
| 18 |
35 |
|
[CA]C:413 |
1 |
1 |
85 |
f |
C |
x,y,z |
1_555 |
10 |
5 |
18870 |
41.3 |
-8.7 |
0.000 |
0 |
0 |
0 |
0.062 |
36 |
|
[CA]B:407 |
1 |
1 |
85 |
f |
B |
x,y,z |
1_555 |
10 |
4 |
18905 |
40.6 |
-9.4 |
0.000 |
0 |
0 |
0 |
0.062 |
37 |
|
[CA]A:411 |
1 |
1 |
85 |
f |
A |
x,-y,-z |
4_555 |
9 |
4 |
18732 |
36.3 |
-9.0 |
0.000 |
0 |
0 |
0 |
0.062 |
| Average: |
39.4 |
-9.0 |
0.000 |
0 |
0 |
0 |
0.062 |
| 19 |
38 |
|
[CA]B:405 |
1 |
1 |
85 |
f |
B |
x,y,z |
1_555 |
7 |
4 |
18905 |
40.3 |
-8.2 |
0.000 |
0 |
0 |
0 |
0.057 |
39 |
|
[CA]A:409 |
1 |
1 |
85 |
f |
A |
x,-y,-z |
4_555 |
8 |
4 |
18732 |
39.9 |
-8.3 |
0.000 |
0 |
0 |
0 |
0.057 |
40 |
|
[CA]C:411 |
1 |
1 |
85 |
f |
C |
x,y,z |
1_555 |
7 |
5 |
18870 |
38.9 |
-8.3 |
0.000 |
0 |
0 |
0 |
0.057 |
| Average: |
39.7 |
-8.3 |
0.000 |
0 |
0 |
0 |
0.057 |
| 20 |
41 |
|
[CA]A:408 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
7 |
2 |
18732 |
37.9 |
-7.0 |
0.000 |
0 |
0 |
0 |
0.048 |
42 |
|
[CA]B:404 |
1 |
1 |
85 |
f |
C |
x,y,z |
1_555 |
7 |
3 |
18870 |
35.0 |
-6.0 |
0.000 |
0 |
0 |
0 |
0.048 |
43 |
|
[CA]B:412 |
1 |
1 |
85 |
f |
B |
x,y,z |
1_555 |
6 |
2 |
18905 |
34.3 |
-5.8 |
0.000 |
0 |
0 |
0 |
0.048 |
| Average: |
35.7 |
-6.3 |
0.000 |
0 |
0 |
0 |
0.048 |
| 21 |
44 |
|
[CA]A:406 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
8 |
4 |
18732 |
36.3 |
-5.8 |
0.000 |
0 |
0 |
0 |
0.039 |
45 |
|
[CA]C:410 |
1 |
1 |
85 |
f |
B |
x,y,z |
1_555 |
10 |
5 |
18905 |
33.7 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.039 |
46 |
|
[CA]B:403 |
1 |
1 |
85 |
f |
C |
x,y,z |
1_555 |
10 |
6 |
18870 |
32.9 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.039 |
| Average: |
34.3 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.039 |
| 22 |
47 |
|
[CA]B:406 |
1 |
1 |
85 |
f |
C |
x,y,z |
1_555 |
6 |
3 |
18870 |
33.7 |
-5.8 |
0.000 |
0 |
0 |
0 |
0.040 |
48 |
|
[CA]C:412 |
1 |
1 |
85 |
f |
B |
x,y,z |
1_555 |
6 |
3 |
18905 |
33.4 |
-5.9 |
0.000 |
0 |
0 |
0 |
0.040 |
49 |
|
[CA]A:410 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
8 |
3 |
18732 |
32.4 |
-5.6 |
0.000 |
0 |
0 |
0 |
0.040 |
| Average: |
33.2 |
-5.8 |
0.000 |
0 |
0 |
0 |
0.040 |
| 23 |
50 |
|
[CA]B:404 |
1 |
1 |
85 |
◊ |
B |
x,y,z |
1_555 |
6 |
2 |
18905 |
33.5 |
-5.9 |
0.000 |
0 |
0 |
0 |
0.040 |
51 |
|
[CA]B:412 |
1 |
1 |
85 |
◊ |
C |
x,y,z |
1_555 |
6 |
2 |
18870 |
32.7 |
-5.8 |
0.000 |
0 |
0 |
0 |
0.040 |
52 |
|
[CA]A:408 |
1 |
1 |
85 |
◊ |
A |
x,-y,-z |
4_555 |
4 |
2 |
18732 |
29.6 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.040 |
| Average: |
31.9 |
-5.6 |
0.000 |
0 |
0 |
0 |
0.040 |
| 24 |
53 |
|
[CA]B:406 |
1 |
1 |
85 |
◊ |
B |
x,y,z |
1_555 |
6 |
4 |
18905 |
32.5 |
-6.1 |
0.000 |
0 |
0 |
0 |
0.041 |
54 |
|
[CA]A:410 |
1 |
1 |
85 |
◊ |
A |
x,-y,-z |
4_555 |
6 |
4 |
18732 |
31.9 |
-6.0 |
0.000 |
0 |
0 |
0 |
0.041 |
55 |
|
[CA]C:412 |
1 |
1 |
85 |
◊ |
C |
x,y,z |
1_555 |
8 |
4 |
18870 |
30.7 |
-5.7 |
0.000 |
0 |
0 |
0 |
0.041 |
| Average: |
31.7 |
-5.9 |
0.000 |
0 |
0 |
0 |
0.041 |
| 25 |
56 |
|
[CA]B:411 |
1 |
1 |
85 |
f |
C |
x,y,z |
1_555 |
4 |
2 |
18870 |
29.6 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.033 |
57 |
|
[CA]C:406 |
1 |
1 |
85 |
f |
B |
x,y,z |
1_555 |
4 |
2 |
18905 |
27.7 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.033 |
58 |
|
[CA]A:407 |
1 |
1 |
85 |
f |
A |
x,-y,-z |
4_555 |
4 |
2 |
18732 |
27.1 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.033 |
| Average: |
28.1 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.033 |
| 26 |
59 |
|
[NAG]C:402 |
4 |
1 |
363 |
f |
C |
x,y,z |
1_555 |
2 |
2 |
18870 |
29.5 |
0.3 |
0.172 |
0 |
0 |
0 |
0.000 |
| 27 |
60 |
|
[CA]B:411 |
1 |
1 |
85 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
18905 |
27.7 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.030 |
61 |
|
[CA]C:406 |
1 |
1 |
85 |
◊ |
C |
x,y,z |
1_555 |
3 |
1 |
18870 |
27.2 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.030 |
62 |
|
[CA]A:407 |
1 |
1 |
85 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
18732 |
23.9 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.030 |
| Average: |
26.3 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.030 |
| 28 |
63 |
|
[NAG]B:402 |
4 |
1 |
361 |
f |
B |
x,y,z |
1_555 |
2 |
2 |
18905 |
26.8 |
0.4 |
0.177 |
0 |
0 |
0 |
0.000 |
| 29 |
64 |
|
[CA]C:411 |
1 |
1 |
85 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
18905 |
26.1 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.027 |
65 |
|
[CA]B:405 |
1 |
1 |
85 |
◊ |
C |
x,y,z |
1_555 |
3 |
1 |
18870 |
25.8 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.027 |
66 |
|
[CA]A:409 |
1 |
1 |
85 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
18732 |
24.9 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.027 |
| Average: |
25.6 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.027 |
| 30 |
67 |
|
[CA]A:406 |
1 |
1 |
85 |
◊ |
A |
x,-y,-z |
4_555 |
2 |
1 |
18732 |
23.8 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.025 |
68 |
|
[CA]B:403 |
1 |
1 |
85 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
18905 |
23.3 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.025 |
69 |
|
[CA]C:410 |
1 |
1 |
85 |
◊ |
C |
x,y,z |
1_555 |
2 |
1 |
18870 |
22.4 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.025 |
| Average: |
23.2 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.025 |
| 31 |
70 |
|
[NAG]A:402 |
4 |
1 |
362 |
f |
A |
x,y,z |
1_555 |
2 |
2 |
18732 |
18.8 |
0.3 |
0.219 |
0 |
0 |
0 |
0.000 |
| 32 |
71 |
|
[CA]C:413 |
1 |
1 |
85 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
18905 |
17.1 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.018 |
72 |
|
[CA]A:411 |
1 |
1 |
85 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
18732 |
16.5 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.018 |
73 |
|
[CA]B:407 |
1 |
1 |
85 |
◊ |
C |
x,y,z |
1_555 |
3 |
1 |
18870 |
16.1 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.018 |
| Average: |
16.5 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.018 |
| 33 |
74 |
|
[CA]A:404 |
1 |
1 |
85 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
18905 |
16.8 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.000 |
| 34 |
75 |
|
[CA]C:405 |
1 |
1 |
85 |
f |
[CA]C:404 |
x,y,z |
1_555 |
1 |
1 |
85 |
7.0 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.007 |
| 35 |
76 |
|
[CA]C:410 |
1 |
1 |
85 |
◊ |
[CA]B:403 |
x,y,z |
1_555 |
1 |
1 |
85 |
5.8 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.006 |
| 36 |
77 |
|
[NAG]A:402 |
1 |
1 |
362 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
18905 |
5.5 |
-0.0 |
0.215 |
0 |
0 |
0 |
0.000 |
| 37 |
78 |
|
[CA]C:413 |
1 |
1 |
85 |
◊ |
[CA]C:412 |
x,y,z |
1_555 |
1 |
1 |
85 |
5.5 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.006 |
| 38 |
79 |
|
[CA]A:411 |
1 |
1 |
85 |
◊ |
[CA]A:410 |
x,y,z |
1_555 |
1 |
1 |
85 |
5.3 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.011 |
| 39 |
80 |
|
A |
2 |
2 |
18732 |
◊ |
C |
-x+5/2,-y+1/2,z-1/2 |
6_754 |
2 |
2 |
18870 |
4.6 |
-0.0 |
0.576 |
0 |
0 |
0 |
0.000 |
| 40 |
81 |
|
C |
2 |
1 |
18870 |
◊ |
B |
-x+3,y,-z+1/2 |
3_855 |
2 |
2 |
18905 |
4.3 |
-0.0 |
0.587 |
0 |
0 |
0 |
0.000 |
| 41 |
82 |
|
[CA]A:405 |
1 |
1 |
85 |
f |
[CA]A:404 |
x,y,z |
1_555 |
1 |
1 |
85 |
3.9 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.008 |
| 42 |
83 |
|
[CA]B:410 |
1 |
1 |
85 |
f |
[CA]B:409 |
x,y,z |
1_555 |
1 |
1 |
85 |
3.6 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.004 |
| 43 |
84 |
|
[CA]A:406 |
1 |
1 |
85 |
◊ |
[CA]A:406 |
x,-y,-z |
4_555 |
1 |
1 |
85 |
3.2 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.003 |
| 44 |
85 |
|
[CA]B:407 |
1 |
1 |
85 |
◊ |
[CA]B:406 |
x,y,z |
1_555 |
1 |
1 |
85 |
2.9 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.003 |
| 45 |
86 |
|
[CA]A:405 |
1 |
1 |
85 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
18905 |
0.2 |
-0.0 |
0.000 |
0 |
0 |
0 |
0.000 |
|