| ## |
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 |
280 |
71 |
10663 |
◊ |
A |
x,y,z |
1_555 |
277 |
70 |
10671 |
2759.2 |
-38.6 |
0.012 |
27 |
12 |
0 |
1.000 |
2 |
|
D |
279 |
70 |
10579 |
◊ |
C |
x,y,z |
1_555 |
283 |
70 |
10746 |
2686.0 |
-36.9 |
0.016 |
26 |
8 |
0 |
1.000 |
| Average: |
2722.6 |
-37.7 |
0.014 |
27 |
10 |
0 |
1.000 |
| 2 |
3 |
|
C |
88 |
21 |
10746 |
◊ |
A |
x,y,z |
1_555 |
87 |
21 |
10671 |
827.5 |
-7.5 |
0.328 |
14 |
12 |
0 |
1.000 |
4 |
|
D |
89 |
22 |
10579 |
◊ |
B |
x,y,z |
1_555 |
88 |
22 |
10663 |
823.8 |
-7.5 |
0.335 |
14 |
12 |
0 |
1.000 |
| Average: |
825.7 |
-7.5 |
0.331 |
14 |
12 |
0 |
1.000 |
| 3 |
5 |
|
B |
39 |
15 |
10663 |
◊ |
D |
-x,y-1/2,-z+1 |
2_546 |
31 |
10 |
10579 |
305.5 |
-0.2 |
0.633 |
1 |
0 |
0 |
0.000 |
| 4 |
6 |
|
B |
19 |
7 |
10663 |
◊ |
D |
-x,y-1/2,-z |
2_545 |
31 |
11 |
10579 |
238.2 |
2.7 |
0.862 |
3 |
6 |
0 |
0.000 |
| 5 |
7 |
|
C |
25 |
9 |
10746 |
◊ |
B |
x,y,z |
1_555 |
25 |
9 |
10663 |
216.9 |
4.1 |
0.945 |
2 |
4 |
0 |
0.000 |
8 |
|
D |
23 |
9 |
10579 |
◊ |
A |
x,y,z |
1_555 |
22 |
8 |
10671 |
215.4 |
4.0 |
0.958 |
2 |
4 |
0 |
0.000 |
| Average: |
216.1 |
4.0 |
0.951 |
2 |
4 |
0 |
0.000 |
| 6 |
9 |
|
B |
15 |
6 |
10663 |
◊ |
A |
-x,y-1/2,-z+1 |
2_546 |
14 |
4 |
10671 |
146.6 |
0.7 |
0.732 |
2 |
0 |
0 |
0.000 |
| 7 |
10 |
|
B |
15 |
5 |
10663 |
◊ |
C |
-x+1,y-1/2,-z |
2_645 |
11 |
6 |
10746 |
135.3 |
0.0 |
0.610 |
2 |
0 |
0 |
0.000 |
| 8 |
11 |
|
D |
12 |
5 |
10579 |
x |
D |
-x,y-1/2,-z |
2_545 |
11 |
4 |
10579 |
114.1 |
2.6 |
0.865 |
4 |
0 |
0 |
0.000 |
| 9 |
12 |
|
[EDO]A:217 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
20 |
6 |
10671 |
102.1 |
3.4 |
0.476 |
2 |
0 |
0 |
0.000 |
| 10 |
13 |
|
[EDO]D:216 |
4 |
1 |
184 |
◊ |
D |
x,y,z |
1_555 |
16 |
7 |
10579 |
101.8 |
3.1 |
0.468 |
2 |
0 |
0 |
0.000 |
| 11 |
14 |
|
[EDO]D:219 |
4 |
1 |
184 |
f |
D |
x,y,z |
1_555 |
18 |
6 |
10579 |
100.0 |
3.2 |
0.463 |
1 |
0 |
0 |
0.000 |
15 |
|
[EDO]B:217 |
4 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
17 |
6 |
10663 |
97.0 |
3.0 |
0.441 |
2 |
0 |
0 |
0.000 |
| Average: |
98.5 |
3.1 |
0.452 |
2 |
0 |
0 |
0.000 |
| 12 |
16 |
|
C |
9 |
4 |
10746 |
x |
C |
-x+1,y-1/2,-z |
2_645 |
10 |
4 |
10746 |
87.0 |
0.9 |
0.766 |
1 |
0 |
0 |
0.000 |
| 13 |
17 |
|
[EDO]A:219 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
13 |
4 |
10671 |
86.7 |
2.3 |
0.431 |
1 |
0 |
0 |
0.000 |
| 14 |
18 |
|
[EDO]C:216 |
4 |
1 |
184 |
◊ |
C |
x,y,z |
1_555 |
16 |
7 |
10746 |
85.0 |
2.3 |
0.442 |
1 |
0 |
0 |
0.000 |
| 15 |
19 |
|
[EDO]B:216 |
4 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
13 |
5 |
10663 |
83.2 |
3.0 |
0.489 |
1 |
0 |
0 |
0.000 |
| 16 |
20 |
|
[EDO]C:219 |
4 |
1 |
184 |
◊ |
C |
x,y,z |
1_555 |
16 |
7 |
10746 |
82.5 |
2.8 |
0.501 |
2 |
0 |
0 |
0.000 |
| 17 |
21 |
|
[EDO]C:217 |
4 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
14 |
6 |
10746 |
80.9 |
1.9 |
0.268 |
2 |
0 |
0 |
0.000 |
| 18 |
22 |
|
[EDO]A:220 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
12 |
6 |
10671 |
79.9 |
2.0 |
0.238 |
1 |
0 |
0 |
0.000 |
| 19 |
23 |
|
[EDO]C:217 |
4 |
1 |
184 |
◊ |
D |
x,y,z |
1_555 |
14 |
6 |
10579 |
76.0 |
1.3 |
0.196 |
0 |
0 |
0 |
0.000 |
| 20 |
24 |
|
[EDO]D:217 |
4 |
1 |
185 |
◊ |
D |
x,y,z |
1_555 |
11 |
3 |
10579 |
76.0 |
2.6 |
0.312 |
3 |
0 |
0 |
0.000 |
| 21 |
25 |
|
A |
10 |
4 |
10671 |
◊ |
C |
x,y-1,z |
1_545 |
11 |
5 |
10746 |
69.5 |
0.8 |
0.749 |
1 |
0 |
0 |
0.000 |
| 22 |
26 |
|
[EDO]B:219 |
4 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
15 |
6 |
10663 |
69.1 |
1.7 |
0.245 |
2 |
0 |
0 |
0.000 |
| 23 |
27 |
|
A |
8 |
3 |
10671 |
◊ |
D |
-x+1,y-1/2,-z+1 |
2_646 |
9 |
4 |
10579 |
66.9 |
0.7 |
0.753 |
0 |
0 |
0 |
0.000 |
| 24 |
28 |
|
B |
12 |
4 |
10663 |
f |
[EDO]C:216 |
-x+1,y-1/2,-z |
2_645 |
4 |
1 |
184 |
64.8 |
1.8 |
0.275 |
1 |
0 |
0 |
0.000 |
| 25 |
29 |
|
[EDO]A:216 |
4 |
1 |
185 |
◊ |
C |
x,y,z |
1_555 |
13 |
6 |
10746 |
60.3 |
1.4 |
0.251 |
1 |
0 |
0 |
0.000 |
| 26 |
30 |
|
[EDO]A:216 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
13 |
6 |
10671 |
60.3 |
1.4 |
0.259 |
1 |
0 |
0 |
0.000 |
| 27 |
31 |
|
[EDO]D:218 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
10 |
5 |
10663 |
57.5 |
0.5 |
0.524 |
0 |
0 |
0 |
0.000 |
| 28 |
32 |
|
[EDO]B:218 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
10 |
4 |
10663 |
56.9 |
1.5 |
0.258 |
1 |
0 |
0 |
0.000 |
| 29 |
33 |
|
[EDO]B:218 |
4 |
1 |
185 |
◊ |
D |
x,y,z |
1_555 |
10 |
4 |
10579 |
56.2 |
1.4 |
0.255 |
1 |
0 |
0 |
0.000 |
| 30 |
34 |
|
[EDO]C:219 |
3 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
10 |
5 |
10671 |
55.9 |
0.6 |
0.644 |
0 |
0 |
0 |
0.000 |
| 31 |
35 |
|
[EDO]B:219 |
4 |
1 |
186 |
◊ |
D |
x,y,z |
1_555 |
13 |
6 |
10579 |
53.5 |
1.3 |
0.824 |
1 |
0 |
0 |
0.000 |
| 32 |
36 |
|
[EDO]D:218 |
3 |
1 |
184 |
◊ |
D |
x,y,z |
1_555 |
15 |
6 |
10579 |
52.4 |
1.7 |
0.288 |
2 |
0 |
0 |
0.000 |
| 33 |
37 |
|
A |
7 |
4 |
10671 |
x |
A |
-x+1,y-1/2,-z+1 |
2_646 |
6 |
3 |
10671 |
49.7 |
0.6 |
0.697 |
0 |
0 |
0 |
0.000 |
| 34 |
38 |
|
[EDO]D:220 |
4 |
1 |
184 |
◊ |
C |
x,y,z |
1_555 |
7 |
4 |
10746 |
48.0 |
1.2 |
0.265 |
1 |
0 |
0 |
0.000 |
39 |
|
[EDO]C:218 |
4 |
1 |
185 |
◊ |
D |
x,y,z |
1_555 |
7 |
4 |
10579 |
46.4 |
1.2 |
0.271 |
1 |
0 |
0 |
0.000 |
| Average: |
47.2 |
1.2 |
0.268 |
1 |
0 |
0 |
0.000 |
| 35 |
40 |
|
[EDO]D:217 |
4 |
1 |
185 |
◊ |
C |
x,y,z |
1_555 |
5 |
1 |
10746 |
46.0 |
0.4 |
0.528 |
0 |
0 |
0 |
0.000 |
| 36 |
41 |
|
B |
7 |
4 |
10663 |
◊ |
C |
-x+1,y-1/2,-z+1 |
2_646 |
8 |
4 |
10746 |
44.3 |
0.7 |
0.750 |
1 |
0 |
0 |
0.000 |
| 37 |
42 |
|
[EDO]C:218 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
11 |
3 |
10663 |
43.7 |
1.5 |
0.913 |
1 |
0 |
0 |
0.000 |
43 |
|
[EDO]D:220 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
10 |
3 |
10671 |
43.1 |
1.3 |
0.912 |
0 |
0 |
0 |
0.000 |
| Average: |
43.4 |
1.4 |
0.913 |
1 |
0 |
0 |
0.000 |
| 38 |
44 |
|
D |
5 |
3 |
10579 |
◊ |
C |
x-1,y,z |
1_455 |
7 |
3 |
10746 |
43.7 |
1.6 |
0.875 |
1 |
0 |
0 |
0.000 |
| 39 |
45 |
|
B |
6 |
4 |
10663 |
f |
[EDO]D:216 |
-x,y-1/2,-z |
2_545 |
3 |
1 |
184 |
43.1 |
1.6 |
0.912 |
1 |
0 |
0 |
0.000 |
| 40 |
46 |
|
B |
9 |
6 |
10663 |
◊ |
A |
x-1,y,z |
1_455 |
7 |
4 |
10671 |
42.6 |
0.5 |
0.708 |
0 |
0 |
0 |
0.000 |
| 41 |
47 |
|
[EDO]D:220 |
3 |
1 |
184 |
◊ |
D |
x,y,z |
1_555 |
8 |
2 |
10579 |
42.5 |
1.8 |
0.327 |
0 |
0 |
0 |
0.000 |
48 |
|
[EDO]C:218 |
4 |
1 |
185 |
◊ |
C |
x,y,z |
1_555 |
8 |
2 |
10746 |
42.4 |
1.8 |
0.913 |
0 |
0 |
0 |
0.000 |
| Average: |
42.4 |
1.8 |
0.620 |
0 |
0 |
0 |
0.000 |
| 42 |
49 |
|
[EDO]A:219 |
3 |
1 |
185 |
◊ |
C |
x,y,z |
1_555 |
3 |
1 |
10746 |
40.1 |
1.0 |
0.838 |
2 |
0 |
0 |
0.000 |
| 43 |
50 |
|
A |
7 |
5 |
10671 |
◊ |
C |
-x+1,y-1/2,-z+1 |
2_646 |
7 |
7 |
10746 |
39.9 |
1.0 |
0.809 |
0 |
0 |
0 |
0.000 |
| 44 |
51 |
|
[EDO]D:218 |
3 |
1 |
184 |
f |
[EDO]B:219 |
x,y,z |
1_555 |
3 |
1 |
186 |
37.1 |
1.6 |
1.000 |
1 |
0 |
0 |
0.000 |
| 45 |
52 |
|
[EDO]B:216 |
2 |
1 |
184 |
◊ |
D |
-x,y-1/2,-z+1 |
2_546 |
6 |
1 |
10579 |
34.4 |
0.6 |
0.683 |
0 |
0 |
0 |
0.000 |
| 46 |
53 |
|
A |
4 |
1 |
10671 |
◊ |
C |
-x+1,y-1/2,-z |
2_645 |
3 |
1 |
10746 |
30.9 |
-0.1 |
0.527 |
0 |
0 |
0 |
0.000 |
| 47 |
54 |
|
[EDO]A:218 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
5 |
3 |
10671 |
29.1 |
0.2 |
0.549 |
0 |
0 |
0 |
0.000 |
| 48 |
55 |
|
[EDO]A:218 |
3 |
1 |
184 |
◊ |
C |
x,y,z |
1_555 |
4 |
3 |
10746 |
28.5 |
0.4 |
0.547 |
0 |
0 |
0 |
0.000 |
| 49 |
56 |
|
[EDO]A:218 |
4 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
6 |
3 |
10663 |
28.4 |
0.2 |
0.607 |
0 |
0 |
0 |
0.000 |
| 50 |
57 |
|
[EDO]B:218 |
4 |
1 |
185 |
f |
[EDO]A:218 |
x,y,z |
1_555 |
2 |
1 |
184 |
27.1 |
1.0 |
0.707 |
1 |
0 |
0 |
0.000 |
| 51 |
58 |
|
[EDO]A:218 |
3 |
1 |
184 |
◊ |
D |
x,y,z |
1_555 |
4 |
3 |
10579 |
26.8 |
0.4 |
0.555 |
0 |
0 |
0 |
0.000 |
| 52 |
59 |
|
[EDO]A:220 |
2 |
1 |
185 |
◊ |
[EDO]A:217 |
x,y,z |
1_555 |
2 |
1 |
185 |
25.2 |
0.8 |
1.000 |
1 |
0 |
0 |
0.000 |
| 53 |
60 |
|
B |
6 |
2 |
10663 |
◊ |
C |
x,y-1,z |
1_545 |
6 |
2 |
10746 |
23.9 |
0.3 |
0.697 |
0 |
0 |
0 |
0.000 |
| 54 |
61 |
|
[EDO]D:220 |
3 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
7 |
4 |
10663 |
22.5 |
0.2 |
0.737 |
0 |
0 |
0 |
0.000 |
62 |
|
[EDO]C:218 |
2 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
6 |
3 |
10671 |
22.0 |
0.2 |
0.743 |
0 |
0 |
0 |
0.000 |
| Average: |
22.2 |
0.2 |
0.740 |
0 |
0 |
0 |
0.000 |
| 55 |
63 |
|
[EDO]A:218 |
2 |
1 |
184 |
f |
[EDO]A:216 |
x,y,z |
1_555 |
2 |
1 |
185 |
21.5 |
1.3 |
0.707 |
0 |
0 |
0 |
0.000 |
| 56 |
64 |
|
D |
3 |
1 |
10579 |
◊ |
A |
x-1,y,z |
1_455 |
2 |
1 |
10671 |
20.8 |
1.0 |
0.872 |
0 |
1 |
0 |
0.000 |
| 57 |
65 |
|
[EDO]B:216 |
1 |
1 |
184 |
f |
A |
x-1,y,z |
1_455 |
3 |
1 |
10671 |
20.8 |
0.5 |
0.888 |
1 |
0 |
0 |
0.000 |
| 58 |
66 |
|
D |
3 |
2 |
10579 |
◊ |
C |
-x,y-1/2,-z |
2_545 |
5 |
2 |
10746 |
17.1 |
0.1 |
0.678 |
0 |
0 |
0 |
0.000 |
| 59 |
67 |
|
[EDO]D:220 |
1 |
1 |
184 |
f |
[EDO]A:218 |
x,y,z |
1_555 |
2 |
1 |
184 |
15.1 |
0.4 |
1.000 |
1 |
0 |
0 |
0.003 |
| 60 |
68 |
|
[EDO]C:219 |
2 |
1 |
184 |
f |
[EDO]A:219 |
x,y,z |
1_555 |
2 |
1 |
185 |
15.1 |
0.5 |
1.000 |
0 |
0 |
0 |
0.000 |
| 61 |
69 |
|
[EDO]D:218 |
2 |
1 |
184 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
10746 |
13.9 |
0.6 |
0.931 |
0 |
0 |
0 |
0.000 |
| 62 |
70 |
|
[EDO]C:218 |
1 |
1 |
185 |
f |
[EDO]A:218 |
x,y,z |
1_555 |
2 |
1 |
184 |
13.7 |
0.3 |
1.000 |
1 |
0 |
0 |
0.004 |
| 63 |
71 |
|
[EDO]C:218 |
1 |
1 |
185 |
f |
[EDO]B:218 |
x,y,z |
1_555 |
1 |
1 |
185 |
12.7 |
0.3 |
1.000 |
1 |
0 |
0 |
0.004 |
| 64 |
72 |
|
[EDO]A:220 |
3 |
1 |
185 |
f |
C |
-x+1,y-1/2,-z+1 |
2_646 |
2 |
1 |
10746 |
8.2 |
0.0 |
0.647 |
0 |
0 |
0 |
0.000 |
| 65 |
73 |
|
[EDO]D:220 |
1 |
1 |
184 |
f |
[EDO]A:216 |
x,y,z |
1_555 |
2 |
1 |
185 |
7.5 |
0.3 |
1.000 |
0 |
0 |
0 |
0.000 |
| 66 |
74 |
|
[EDO]D:217 |
1 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
3 |
1 |
10671 |
5.9 |
0.3 |
0.830 |
0 |
0 |
0 |
0.000 |
| 67 |
75 |
|
[EDO]A:217 |
1 |
1 |
185 |
◊ |
C |
-x+1,y-1/2,-z+1 |
2_646 |
2 |
1 |
10746 |
4.6 |
0.1 |
0.834 |
0 |
0 |
0 |
0.000 |
| 68 |
76 |
|
B |
1 |
1 |
10663 |
◊ |
A |
-x+1,y-1/2,-z+1 |
2_646 |
1 |
1 |
10671 |
2.0 |
-0.0 |
0.595 |
0 |
0 |
0 |
0.000 |
| 69 |
77 |
|
B |
1 |
1 |
10663 |
f |
[EDO]A:219 |
-x+1,y-1/2,-z+1 |
2_646 |
1 |
1 |
185 |
0.4 |
0.0 |
0.793 |
0 |
0 |
0 |
0.000 |
|