| ## |
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 |
142 |
33 |
10840 |
◊ |
A |
x,y,z |
1_555 |
139 |
34 |
11469 |
1382.3 |
-23.6 |
0.012 |
10 |
0 |
0 |
0.483 |
2 |
|
D |
141 |
33 |
11121 |
◊ |
C |
x,y,z |
1_555 |
141 |
32 |
10680 |
1365.9 |
-24.9 |
0.006 |
7 |
1 |
0 |
0.483 |
3 |
|
F |
140 |
35 |
10126 |
◊ |
E |
x,y,z |
1_555 |
140 |
31 |
11036 |
1346.6 |
-22.7 |
0.011 |
9 |
1 |
0 |
0.483 |
| Average: |
1364.9 |
-23.7 |
0.010 |
9 |
1 |
0 |
0.483 |
| 2 |
4 |
|
E |
93 |
28 |
11036 |
◊ |
A |
x,y,z |
1_555 |
94 |
28 |
11469 |
982.3 |
-2.4 |
0.622 |
15 |
12 |
0 |
0.142 |
5 |
|
F |
89 |
27 |
10126 |
◊ |
D |
x,y,z |
1_555 |
93 |
29 |
11121 |
966.0 |
-1.7 |
0.673 |
16 |
13 |
0 |
0.142 |
6 |
|
C |
87 |
27 |
10680 |
◊ |
B |
x,y,z |
1_555 |
91 |
27 |
10840 |
942.5 |
-1.1 |
0.673 |
19 |
11 |
0 |
0.142 |
| Average: |
963.6 |
-1.7 |
0.656 |
17 |
12 |
0 |
0.142 |
| 3 |
7 |
|
F |
54 |
17 |
10126 |
◊ |
E |
x-1,y,z |
1_455 |
56 |
18 |
11036 |
468.3 |
-1.1 |
0.588 |
2 |
2 |
0 |
0.000 |
| 4 |
8 |
|
D |
42 |
12 |
11121 |
◊ |
A |
-x+1,y-1/2,-z |
2_645 |
35 |
7 |
11469 |
377.9 |
-3.9 |
0.325 |
2 |
1 |
0 |
0.000 |
| 5 |
9 |
|
D |
34 |
11 |
11121 |
◊ |
B |
-x+1,y-1/2,-z+1 |
2_646 |
35 |
10 |
10840 |
352.0 |
-4.7 |
0.178 |
5 |
0 |
0 |
0.051 |
| 6 |
10 |
|
[U5P]B:227 |
21 |
1 |
448 |
f |
B |
x,y,z |
1_555 |
38 |
21 |
10840 |
272.6 |
-2.4 |
0.579 |
6 |
0 |
0 |
0.198 |
11 |
|
[U5P]E:227 |
21 |
1 |
449 |
f |
E |
x,y,z |
1_555 |
38 |
21 |
11036 |
272.4 |
-2.4 |
0.571 |
6 |
0 |
0 |
0.198 |
12 |
|
[U5P]F:227 |
21 |
1 |
446 |
f |
F |
x,y,z |
1_555 |
36 |
20 |
10126 |
268.9 |
-2.3 |
0.599 |
6 |
0 |
0 |
0.198 |
13 |
|
[U5P]D:227 |
21 |
1 |
446 |
f |
D |
x,y,z |
1_555 |
36 |
19 |
11121 |
268.6 |
-2.5 |
0.585 |
6 |
0 |
0 |
0.198 |
14 |
|
[U5P]A:227 |
21 |
1 |
446 |
f |
A |
x,y,z |
1_555 |
37 |
20 |
11469 |
267.4 |
-2.1 |
0.645 |
6 |
0 |
0 |
0.198 |
15 |
|
[U5P]C:227 |
21 |
1 |
447 |
f |
C |
x,y,z |
1_555 |
33 |
18 |
10680 |
267.0 |
-2.3 |
0.596 |
6 |
0 |
0 |
0.198 |
| Average: |
269.5 |
-2.3 |
0.596 |
6 |
0 |
0 |
0.198 |
| 7 |
16 |
|
F |
34 |
11 |
10126 |
◊ |
B |
x-1,y,z-1 |
1_454 |
30 |
9 |
10840 |
248.7 |
-0.1 |
0.661 |
1 |
1 |
0 |
0.000 |
| 8 |
17 |
|
C |
28 |
9 |
10680 |
◊ |
A |
x,y,z |
1_555 |
33 |
12 |
11469 |
248.5 |
-1.2 |
0.554 |
2 |
0 |
0 |
0.064 |
18 |
|
F |
28 |
9 |
10126 |
◊ |
C |
x,y,z |
1_555 |
28 |
11 |
10680 |
240.3 |
-0.9 |
0.551 |
3 |
0 |
0 |
0.064 |
19 |
|
E |
26 |
9 |
11036 |
◊ |
B |
x,y,z |
1_555 |
28 |
11 |
10840 |
238.7 |
-1.0 |
0.490 |
3 |
0 |
0 |
0.064 |
20 |
|
D |
27 |
10 |
11121 |
◊ |
B |
x,y,z |
1_555 |
25 |
8 |
10840 |
237.1 |
-1.5 |
0.444 |
3 |
0 |
0 |
0.064 |
21 |
|
E |
29 |
11 |
11036 |
◊ |
D |
x,y,z |
1_555 |
26 |
9 |
11121 |
232.1 |
-1.2 |
0.463 |
3 |
0 |
0 |
0.064 |
22 |
|
F |
25 |
9 |
10126 |
◊ |
A |
x,y,z |
1_555 |
24 |
8 |
11469 |
227.0 |
-1.2 |
0.494 |
4 |
0 |
0 |
0.064 |
| Average: |
237.3 |
-1.1 |
0.499 |
3 |
0 |
0 |
0.064 |
| 9 |
23 |
|
E |
28 |
11 |
11036 |
◊ |
A |
-x+1,y-1/2,-z |
2_645 |
21 |
9 |
11469 |
227.4 |
3.3 |
0.791 |
3 |
4 |
0 |
0.000 |
| 10 |
24 |
|
E |
16 |
4 |
11036 |
◊ |
D |
x,y,z-1 |
1_554 |
18 |
6 |
11121 |
183.4 |
-1.7 |
0.316 |
1 |
0 |
0 |
0.000 |
| 11 |
25 |
|
A |
18 |
6 |
11469 |
◊ |
C |
x,y,z-1 |
1_554 |
13 |
5 |
10680 |
142.2 |
0.5 |
0.610 |
0 |
0 |
0 |
0.000 |
| 12 |
26 |
|
A |
9 |
3 |
11469 |
◊ |
B |
x,y,z-1 |
1_554 |
11 |
4 |
10840 |
114.8 |
3.0 |
0.918 |
1 |
1 |
0 |
0.000 |
| 13 |
27 |
|
F |
8 |
4 |
10126 |
◊ |
[CD]B:230 |
x-1,y,z-1 |
1_454 |
1 |
1 |
112 |
53.9 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.000 |
| 14 |
28 |
|
[CD]D:228 |
1 |
1 |
112 |
f |
D |
x,y,z |
1_555 |
8 |
4 |
11121 |
52.1 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.163 |
29 |
|
[CD]C:228 |
1 |
1 |
112 |
f |
C |
x,y,z |
1_555 |
8 |
4 |
10680 |
51.4 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.163 |
30 |
|
[CD]E:228 |
1 |
1 |
112 |
f |
E |
x,y,z |
1_555 |
8 |
4 |
11036 |
50.9 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.163 |
31 |
|
[CD]B:229 |
1 |
1 |
112 |
f |
B |
x,y,z |
1_555 |
10 |
4 |
10840 |
50.5 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.163 |
32 |
|
[CD]A:229 |
1 |
1 |
112 |
f |
A |
x,y,z |
1_555 |
10 |
4 |
11469 |
49.2 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.163 |
33 |
|
[CD]F:228 |
1 |
1 |
112 |
f |
F |
x,y,z |
1_555 |
10 |
4 |
10126 |
48.3 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.163 |
| Average: |
50.4 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.163 |
| 15 |
34 |
|
[CD]C:229 |
1 |
1 |
112 |
f |
C |
x,y,z |
1_555 |
6 |
4 |
10680 |
51.4 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.156 |
35 |
|
[CD]B:230 |
1 |
1 |
112 |
f |
B |
x,y,z |
1_555 |
5 |
4 |
10840 |
40.6 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.156 |
36 |
|
[CD]F:229 |
1 |
1 |
112 |
f |
F |
x,y,z |
1_555 |
4 |
2 |
10126 |
39.5 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.156 |
37 |
|
[CD]E:229 |
1 |
1 |
112 |
f |
E |
x,y,z |
1_555 |
5 |
2 |
11036 |
38.4 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.156 |
38 |
|
[CD]A:230 |
1 |
1 |
112 |
f |
A |
x,y,z |
1_555 |
5 |
3 |
11469 |
37.4 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.156 |
| Average: |
41.5 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.156 |
| 16 |
39 |
|
[CD]C:231 |
1 |
1 |
112 |
f |
C |
x,y,z |
1_555 |
5 |
2 |
10680 |
49.3 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.182 |
40 |
|
[CD]B:234 |
1 |
1 |
112 |
f |
B |
x-1,y,z |
1_455 |
6 |
2 |
10840 |
46.9 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.182 |
| Average: |
48.1 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.182 |
| 17 |
41 |
|
F |
5 |
4 |
10126 |
f |
[CD]B:232 |
x-1,y,z-1 |
1_454 |
1 |
1 |
112 |
46.7 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.074 |
| 18 |
42 |
|
E |
3 |
1 |
11036 |
◊ |
B |
-x+1,y-1/2,-z |
2_645 |
6 |
2 |
10840 |
46.6 |
1.6 |
0.777 |
1 |
0 |
0 |
0.000 |
| 19 |
43 |
|
F |
8 |
3 |
10126 |
◊ |
[CD]E:229 |
x-1,y,z |
1_455 |
1 |
1 |
112 |
46.3 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.000 |
44 |
|
[CD]F:229 |
1 |
1 |
112 |
◊ |
E |
x-1,y,z |
1_455 |
7 |
4 |
11036 |
42.8 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.000 |
| Average: |
44.6 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.000 |
| 20 |
45 |
|
[CD]B:233 |
1 |
1 |
112 |
◊ |
B |
x-1,y,z |
1_455 |
4 |
2 |
10840 |
39.7 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.135 |
46 |
|
[CD]B:233 |
1 |
1 |
112 |
◊ |
C |
x,y,z |
1_555 |
4 |
2 |
10680 |
39.2 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.135 |
| Average: |
39.5 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.135 |
| 21 |
47 |
|
[CD]B:231 |
1 |
1 |
112 |
◊ |
B |
x,y,z |
1_555 |
4 |
2 |
10840 |
37.0 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.022 |
| 22 |
48 |
|
[CD]A:228 |
1 |
1 |
112 |
◊ |
F |
x,y,z |
1_555 |
6 |
3 |
10126 |
36.7 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.056 |
49 |
|
[CD]B:228 |
1 |
1 |
112 |
◊ |
E |
x,y,z |
1_555 |
6 |
3 |
11036 |
36.4 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.056 |
50 |
|
[CD]B:228 |
1 |
1 |
112 |
◊ |
D |
x,y,z |
1_555 |
6 |
3 |
11121 |
36.2 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.056 |
51 |
|
[CD]A:228 |
1 |
1 |
112 |
◊ |
A |
x,y,z |
1_555 |
5 |
3 |
11469 |
36.1 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.056 |
52 |
|
[CD]A:228 |
1 |
1 |
112 |
◊ |
C |
x,y,z |
1_555 |
6 |
3 |
10680 |
35.4 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.056 |
53 |
|
[CD]B:228 |
1 |
1 |
112 |
◊ |
B |
x,y,z |
1_555 |
6 |
3 |
10840 |
35.3 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.056 |
| Average: |
36.0 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.056 |
| 23 |
54 |
|
D |
3 |
2 |
11121 |
f |
[CD]B:231 |
-x+1,y-1/2,-z+1 |
2_646 |
1 |
1 |
112 |
36.1 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.052 |
| 24 |
55 |
|
[MG]A:231 |
1 |
1 |
98 |
f |
[U5P]A:227 |
x,y,z |
1_555 |
5 |
1 |
446 |
34.6 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.080 |
| 25 |
56 |
|
[CD]B:232 |
1 |
1 |
112 |
◊ |
B |
x,y,z |
1_555 |
4 |
1 |
10840 |
33.8 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.000 |
| 26 |
57 |
|
[MG]A:231 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
11 |
5 |
11469 |
26.7 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.045 |
| 27 |
58 |
|
[CD]C:231 |
1 |
1 |
112 |
◊ |
[CD]B:234 |
x,y,z |
1_555 |
1 |
1 |
112 |
24.5 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.077 |
| 28 |
59 |
|
C |
3 |
1 |
10680 |
◊ |
B |
x-1,y,z |
1_455 |
3 |
1 |
10840 |
23.2 |
0.6 |
0.820 |
0 |
0 |
0 |
0.000 |
| 29 |
60 |
|
[CD]A:230 |
1 |
1 |
112 |
◊ |
C |
x,y,z-1 |
1_554 |
1 |
1 |
10680 |
21.2 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.000 |
| 30 |
61 |
|
[CD]B:234 |
1 |
1 |
112 |
◊ |
C |
x,y,z |
1_555 |
2 |
2 |
10680 |
16.2 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.038 |
62 |
|
[CD]C:231 |
1 |
1 |
112 |
◊ |
B |
x-1,y,z |
1_455 |
2 |
2 |
10840 |
13.6 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.038 |
| Average: |
14.9 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.038 |
| 31 |
63 |
|
E |
5 |
3 |
11036 |
◊ |
B |
x,y,z-1 |
1_554 |
1 |
1 |
10840 |
15.9 |
0.5 |
0.712 |
0 |
0 |
0 |
0.000 |
| 32 |
64 |
|
[CD]C:231 |
1 |
1 |
112 |
◊ |
[CD]B:233 |
x,y,z |
1_555 |
1 |
1 |
112 |
10.3 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.032 |
| 33 |
65 |
|
[CD]B:234 |
1 |
1 |
112 |
◊ |
[CD]B:233 |
x,y,z |
1_555 |
1 |
1 |
112 |
9.5 |
-1.5 |
0.000 |
0 |
0 |
0 |
0.030 |
| 34 |
66 |
|
[CD]C:228 |
1 |
1 |
112 |
◊ |
F |
x,y,z |
1_555 |
2 |
1 |
10126 |
7.9 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.010 |
67 |
|
[CD]B:229 |
1 |
1 |
112 |
◊ |
E |
x,y,z |
1_555 |
2 |
1 |
11036 |
6.4 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.010 |
68 |
|
[CD]F:228 |
1 |
1 |
112 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
11469 |
6.0 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.010 |
69 |
|
[CD]A:229 |
1 |
1 |
112 |
◊ |
C |
x,y,z |
1_555 |
2 |
1 |
10680 |
5.9 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.010 |
70 |
|
[CD]E:228 |
1 |
1 |
112 |
◊ |
D |
x,y,z |
1_555 |
1 |
1 |
11121 |
5.8 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.010 |
71 |
|
[CD]D:228 |
1 |
1 |
112 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
10840 |
3.3 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.010 |
| Average: |
5.9 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.010 |
| 35 |
72 |
|
[U5P]E:227 |
1 |
1 |
449 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
11469 |
4.8 |
-0.1 |
0.517 |
0 |
0 |
0 |
0.000 |
73 |
|
[U5P]B:227 |
1 |
1 |
448 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
10680 |
3.6 |
-0.0 |
0.512 |
0 |
0 |
0 |
0.000 |
74 |
|
[U5P]D:227 |
1 |
1 |
446 |
◊ |
F |
x,y,z |
1_555 |
1 |
1 |
10126 |
3.3 |
-0.0 |
0.510 |
0 |
0 |
0 |
0.000 |
75 |
|
[U5P]A:227 |
1 |
1 |
446 |
◊ |
E |
x,y,z |
1_555 |
1 |
1 |
11036 |
3.0 |
-0.0 |
0.507 |
0 |
0 |
0 |
0.000 |
76 |
|
[U5P]F:227 |
1 |
1 |
446 |
◊ |
D |
x,y,z |
1_555 |
1 |
1 |
11121 |
2.6 |
-0.0 |
0.503 |
0 |
0 |
0 |
0.000 |
77 |
|
[U5P]C:227 |
1 |
1 |
447 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
10840 |
1.2 |
-0.0 |
0.560 |
0 |
0 |
0 |
0.000 |
| Average: |
3.1 |
-0.0 |
0.518 |
0 |
0 |
0 |
0.001 |
|