| ## |
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 |
|
J |
84 |
26 |
9571 |
◊ |
K |
x-1,y,z |
1_455 |
74 |
26 |
9184 |
739.0 |
-0.2 |
0.573 |
16 |
0 |
0 |
0.000 |
2 |
|
C |
86 |
26 |
9051 |
◊ |
B |
x,y,z |
1_555 |
76 |
27 |
9301 |
734.8 |
-1.0 |
0.500 |
13 |
0 |
0 |
0.000 |
3 |
|
G |
83 |
26 |
9473 |
◊ |
D |
x,y,z |
1_555 |
76 |
28 |
9242 |
732.7 |
-0.9 |
0.467 |
13 |
0 |
0 |
0.000 |
4 |
|
F |
84 |
26 |
9688 |
◊ |
G |
-x+2,y-1/2,-z+1 |
2_746 |
74 |
28 |
9473 |
727.2 |
-0.2 |
0.544 |
13 |
0 |
0 |
0.000 |
5 |
|
M |
77 |
27 |
9640 |
◊ |
L |
x-1,y,z |
1_455 |
90 |
26 |
9202 |
718.2 |
-0.8 |
0.474 |
14 |
0 |
0 |
0.000 |
6 |
|
H |
78 |
22 |
9324 |
◊ |
A |
x,y,z |
1_555 |
72 |
26 |
9175 |
711.9 |
1.3 |
0.602 |
14 |
1 |
0 |
0.000 |
7 |
|
N |
69 |
25 |
8873 |
◊ |
M |
x,y,z |
1_555 |
80 |
24 |
9640 |
710.7 |
0.8 |
0.583 |
13 |
0 |
0 |
0.000 |
8 |
|
I |
85 |
26 |
9166 |
◊ |
F |
x,y,z |
1_555 |
72 |
28 |
9688 |
706.8 |
-1.0 |
0.474 |
13 |
1 |
0 |
0.000 |
9 |
|
L |
69 |
25 |
9202 |
◊ |
K |
x,y,z-1 |
1_554 |
82 |
23 |
9184 |
701.2 |
0.3 |
0.470 |
12 |
1 |
0 |
0.000 |
10 |
|
E |
70 |
26 |
10128 |
◊ |
B |
x,y,z |
1_555 |
82 |
25 |
9301 |
701.1 |
0.4 |
0.623 |
14 |
1 |
0 |
0.000 |
11 |
|
A |
83 |
25 |
9175 |
◊ |
J |
x,y,z-1 |
1_554 |
67 |
27 |
9571 |
691.5 |
0.0 |
0.592 |
14 |
1 |
0 |
0.000 |
12 |
|
D |
80 |
26 |
9242 |
◊ |
C |
x,y,z |
1_555 |
66 |
26 |
9051 |
681.1 |
0.0 |
0.579 |
15 |
0 |
0 |
0.000 |
| Average: |
713.0 |
-0.1 |
0.540 |
14 |
0 |
0 |
0.000 |
| 2 |
13 |
|
I |
64 |
26 |
9166 |
◊ |
E |
x,y,z |
1_555 |
79 |
22 |
10128 |
654.9 |
-1.0 |
0.447 |
12 |
1 |
0 |
0.000 |
| 3 |
14 |
|
H |
64 |
24 |
9324 |
◊ |
N |
-x+1,y-1/2,-z |
2_645 |
75 |
21 |
8873 |
631.4 |
-1.3 |
0.482 |
14 |
0 |
0 |
0.000 |
| 4 |
15 |
|
H |
35 |
8 |
9324 |
◊ |
G |
-x+2,y-1/2,-z+1 |
2_746 |
42 |
16 |
9473 |
384.4 |
-2.3 |
0.207 |
3 |
0 |
0 |
0.000 |
| 5 |
16 |
|
K |
26 |
10 |
9184 |
◊ |
B |
x,y,z |
1_555 |
21 |
6 |
9301 |
216.5 |
0.5 |
0.644 |
4 |
1 |
0 |
0.000 |
17 |
|
M |
20 |
5 |
9640 |
◊ |
D |
x-1,y,z-1 |
1_454 |
22 |
9 |
9242 |
196.5 |
0.9 |
0.680 |
3 |
1 |
0 |
0.000 |
| Average: |
206.5 |
0.7 |
0.662 |
4 |
1 |
0 |
0.000 |
| 6 |
18 |
|
J |
23 |
7 |
9571 |
◊ |
F |
x,y,z |
1_555 |
22 |
4 |
9688 |
177.1 |
-2.1 |
0.224 |
1 |
0 |
0 |
0.000 |
| 7 |
19 |
|
L |
18 |
7 |
9202 |
◊ |
E |
x,y,z |
1_555 |
19 |
4 |
10128 |
171.7 |
-1.5 |
0.329 |
4 |
0 |
0 |
0.000 |
| 8 |
20 |
|
J |
19 |
8 |
9571 |
◊ |
I |
x-1,y,z |
1_455 |
19 |
5 |
9166 |
171.4 |
-1.5 |
0.330 |
2 |
0 |
0 |
0.000 |
| 9 |
21 |
|
J |
24 |
10 |
9571 |
◊ |
E |
x,y,z |
1_555 |
18 |
8 |
10128 |
169.1 |
-1.4 |
0.379 |
0 |
0 |
0 |
0.000 |
| 10 |
22 |
|
F |
16 |
7 |
9688 |
◊ |
G |
-x+3,y-1/2,-z+1 |
2_846 |
17 |
6 |
9473 |
145.2 |
-0.7 |
0.435 |
0 |
0 |
0 |
0.000 |
| 11 |
23 |
|
B |
19 |
6 |
9301 |
◊ |
K |
x-1,y,z-1 |
1_454 |
16 |
8 |
9184 |
145.0 |
-1.5 |
0.324 |
0 |
0 |
0 |
0.000 |
24 |
|
M |
12 |
5 |
9640 |
◊ |
D |
x,y,z |
1_555 |
6 |
3 |
9242 |
69.4 |
-0.4 |
0.474 |
0 |
0 |
0 |
0.000 |
| Average: |
107.2 |
-1.0 |
0.399 |
0 |
0 |
0 |
0.000 |
| 12 |
25 |
|
L |
17 |
4 |
9202 |
◊ |
K |
x-1,y,z-1 |
1_454 |
14 |
4 |
9184 |
141.3 |
1.3 |
0.752 |
2 |
2 |
0 |
0.000 |
| 13 |
26 |
|
M |
19 |
5 |
9640 |
◊ |
B |
x,y,z |
1_555 |
20 |
6 |
9301 |
134.0 |
-1.5 |
0.265 |
0 |
0 |
0 |
0.000 |
| 14 |
27 |
|
[EDO]C:301 |
4 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
18 |
8 |
9051 |
110.3 |
3.9 |
0.497 |
8 |
0 |
0 |
0.000 |
28 |
|
[EDO]L:301 |
4 |
1 |
186 |
f |
L |
x,y,z |
1_555 |
17 |
7 |
9202 |
105.9 |
3.6 |
0.470 |
8 |
0 |
0 |
0.000 |
| Average: |
108.1 |
3.7 |
0.484 |
8 |
0 |
0 |
0.000 |
| 15 |
29 |
|
[EDO]J:301 |
4 |
1 |
185 |
◊ |
J |
x,y,z |
1_555 |
16 |
7 |
9571 |
108.8 |
3.9 |
0.496 |
7 |
0 |
0 |
0.000 |
30 |
|
[EDO]G:301 |
4 |
1 |
184 |
◊ |
G |
x,y,z |
1_555 |
16 |
8 |
9473 |
108.0 |
3.7 |
0.485 |
6 |
0 |
0 |
0.000 |
31 |
|
[EDO]I:301 |
4 |
1 |
185 |
◊ |
I |
x,y,z |
1_555 |
16 |
7 |
9166 |
105.7 |
3.6 |
0.466 |
7 |
0 |
0 |
0.000 |
| Average: |
107.5 |
3.7 |
0.482 |
7 |
0 |
0 |
0.000 |
| 16 |
32 |
|
[EDO]N:301 |
4 |
1 |
186 |
f |
N |
x,y,z |
1_555 |
16 |
7 |
8873 |
108.7 |
3.8 |
0.492 |
7 |
0 |
0 |
0.000 |
| 17 |
33 |
|
[EDO]E:301 |
4 |
1 |
185 |
f |
E |
x,y,z |
1_555 |
15 |
7 |
10128 |
108.1 |
3.8 |
0.499 |
8 |
0 |
0 |
0.000 |
34 |
|
[EDO]K:301 |
4 |
1 |
184 |
f |
K |
x,y,z |
1_555 |
17 |
7 |
9184 |
106.0 |
3.7 |
0.483 |
8 |
0 |
0 |
0.000 |
| Average: |
107.0 |
3.7 |
0.491 |
8 |
0 |
0 |
0.000 |
| 18 |
35 |
|
[EDO]H:301 |
4 |
1 |
186 |
f |
H |
x,y,z |
1_555 |
16 |
8 |
9324 |
108.0 |
3.8 |
0.498 |
9 |
0 |
0 |
0.000 |
| 19 |
36 |
|
[EDO]M:301 |
4 |
1 |
185 |
f |
M |
x,y,z |
1_555 |
17 |
7 |
9640 |
107.7 |
3.8 |
0.487 |
7 |
0 |
0 |
0.000 |
| 20 |
37 |
|
[EDO]B:301 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
16 |
7 |
9301 |
107.3 |
3.9 |
0.486 |
6 |
0 |
0 |
0.000 |
| 21 |
38 |
|
[EDO]B:302 |
4 |
1 |
188 |
f |
B |
x,y,z |
1_555 |
18 |
8 |
9301 |
107.2 |
3.0 |
0.461 |
4 |
0 |
0 |
0.000 |
| 22 |
39 |
|
[EDO]F:301 |
4 |
1 |
184 |
◊ |
F |
x,y,z |
1_555 |
15 |
7 |
9688 |
106.9 |
3.8 |
0.497 |
5 |
0 |
0 |
0.000 |
| 23 |
40 |
|
B |
15 |
5 |
9301 |
◊ |
E |
x-1,y,z |
1_455 |
10 |
4 |
10128 |
106.0 |
-2.9 |
0.085 |
0 |
0 |
0 |
0.000 |
| 24 |
41 |
|
[EDO]D:301 |
4 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
15 |
7 |
9242 |
105.9 |
3.8 |
0.480 |
7 |
0 |
0 |
0.000 |
| 25 |
42 |
|
[EDO]A:301 |
4 |
1 |
186 |
◊ |
A |
x,y,z |
1_555 |
16 |
7 |
9175 |
104.5 |
3.6 |
0.492 |
6 |
0 |
0 |
0.000 |
| 26 |
43 |
|
M |
10 |
5 |
9640 |
◊ |
G |
x,y,z |
1_555 |
14 |
4 |
9473 |
93.3 |
-0.2 |
0.515 |
0 |
0 |
0 |
0.000 |
| 27 |
44 |
|
J |
10 |
3 |
9571 |
◊ |
E |
x-1,y,z+1 |
1_456 |
12 |
4 |
10128 |
92.2 |
1.0 |
0.770 |
3 |
0 |
0 |
0.000 |
| 28 |
45 |
|
[EDO]B:303 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
14 |
4 |
9301 |
77.7 |
2.1 |
0.830 |
5 |
0 |
0 |
0.000 |
| 29 |
46 |
|
A |
8 |
2 |
9175 |
x |
A |
x-1,y,z |
1_455 |
9 |
2 |
9175 |
77.6 |
0.3 |
0.638 |
1 |
0 |
0 |
0.000 |
47 |
|
C |
7 |
2 |
9051 |
x |
C |
x-1,y,z |
1_455 |
7 |
2 |
9051 |
55.5 |
0.2 |
0.631 |
0 |
0 |
0 |
0.000 |
| Average: |
66.6 |
0.2 |
0.634 |
1 |
0 |
0 |
0.000 |
| 30 |
48 |
|
F |
12 |
4 |
9688 |
◊ |
N |
-x+1,y-1/2,-z+1 |
2_646 |
13 |
4 |
8873 |
72.2 |
-0.3 |
0.505 |
1 |
0 |
0 |
0.000 |
| 31 |
49 |
|
H |
10 |
3 |
9324 |
◊ |
A |
x-1,y,z |
1_455 |
8 |
2 |
9175 |
70.3 |
0.2 |
0.579 |
0 |
0 |
0 |
0.000 |
50 |
|
C |
1 |
1 |
9051 |
◊ |
D |
x-1,y,z |
1_455 |
1 |
1 |
9242 |
0.5 |
0.0 |
0.641 |
0 |
0 |
0 |
0.000 |
| Average: |
35.4 |
0.1 |
0.610 |
0 |
0 |
0 |
0.000 |
| 32 |
51 |
|
B |
8 |
2 |
9301 |
◊ |
J |
x,y,z-1 |
1_554 |
9 |
5 |
9571 |
65.0 |
0.2 |
0.605 |
0 |
0 |
0 |
0.000 |
| 33 |
52 |
|
H |
6 |
4 |
9324 |
◊ |
F |
x,y,z-1 |
1_554 |
15 |
5 |
9688 |
60.7 |
-0.4 |
0.475 |
0 |
0 |
0 |
0.000 |
| 34 |
53 |
|
N |
6 |
3 |
8873 |
x |
N |
x-1,y,z |
1_455 |
13 |
5 |
8873 |
58.4 |
0.5 |
0.669 |
0 |
0 |
0 |
0.000 |
| 35 |
54 |
|
E |
8 |
3 |
10128 |
◊ |
I |
x-1,y,z |
1_455 |
6 |
2 |
9166 |
45.0 |
-0.8 |
0.328 |
0 |
0 |
0 |
0.000 |
| 36 |
55 |
|
[EDO]B:303 |
3 |
1 |
185 |
◊ |
J |
x,y,z-1 |
1_554 |
6 |
2 |
9571 |
42.1 |
1.4 |
0.818 |
0 |
0 |
0 |
0.000 |
| 37 |
56 |
|
L |
6 |
2 |
9202 |
◊ |
B |
x,y,z |
1_555 |
6 |
4 |
9301 |
39.8 |
-0.2 |
0.490 |
0 |
0 |
0 |
0.000 |
| 38 |
57 |
|
[EDO]A:301 |
4 |
1 |
186 |
f |
H |
x,y,z |
1_555 |
6 |
2 |
9324 |
33.8 |
1.3 |
0.916 |
1 |
0 |
0 |
0.000 |
| 39 |
58 |
|
F |
4 |
1 |
9688 |
f |
[EDO]G:301 |
-x+2,y-1/2,-z+1 |
2_746 |
4 |
1 |
184 |
26.6 |
0.8 |
0.881 |
1 |
0 |
0 |
0.000 |
| 40 |
59 |
|
J |
3 |
1 |
9571 |
◊ |
[EDO]K:301 |
x-1,y,z |
1_455 |
3 |
1 |
184 |
25.2 |
1.0 |
0.912 |
0 |
0 |
0 |
0.000 |
| 41 |
60 |
|
[EDO]I:301 |
4 |
1 |
185 |
f |
E |
x,y,z |
1_555 |
4 |
1 |
10128 |
24.8 |
0.8 |
0.894 |
0 |
0 |
0 |
0.000 |
61 |
|
A |
4 |
1 |
9175 |
f |
[EDO]J:301 |
x,y,z-1 |
1_554 |
4 |
1 |
185 |
23.9 |
0.8 |
0.896 |
0 |
0 |
0 |
0.000 |
| Average: |
24.4 |
0.8 |
0.895 |
0 |
0 |
0 |
0.000 |
| 42 |
62 |
|
[EDO]F:301 |
2 |
1 |
184 |
f |
I |
x,y,z |
1_555 |
3 |
1 |
9166 |
24.0 |
1.0 |
0.908 |
0 |
0 |
0 |
0.000 |
| 43 |
63 |
|
[EDO]L:301 |
4 |
1 |
186 |
◊ |
K |
x,y,z-1 |
1_554 |
4 |
1 |
9184 |
23.6 |
0.9 |
0.890 |
0 |
0 |
0 |
0.000 |
64 |
|
[EDO]M:301 |
3 |
1 |
185 |
◊ |
L |
x-1,y,z |
1_455 |
2 |
1 |
9202 |
20.6 |
0.8 |
0.926 |
0 |
0 |
0 |
0.000 |
| Average: |
22.1 |
0.9 |
0.908 |
0 |
0 |
0 |
0.000 |
| 44 |
65 |
|
[EDO]B:301 |
3 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
4 |
1 |
9051 |
23.2 |
0.6 |
0.873 |
1 |
0 |
0 |
0.000 |
| 45 |
66 |
|
I |
3 |
2 |
9166 |
◊ |
G |
-x+3,y-1/2,-z+1 |
2_846 |
3 |
2 |
9473 |
22.6 |
0.1 |
0.638 |
1 |
0 |
0 |
0.000 |
| 46 |
67 |
|
[EDO]C:301 |
4 |
1 |
185 |
◊ |
D |
x,y,z |
1_555 |
1 |
1 |
9242 |
22.0 |
1.0 |
0.963 |
0 |
0 |
0 |
0.000 |
68 |
|
[EDO]H:301 |
3 |
1 |
186 |
◊ |
N |
-x+1,y-1/2,-z |
2_645 |
1 |
1 |
8873 |
11.0 |
0.5 |
0.923 |
0 |
0 |
0 |
0.000 |
| Average: |
16.5 |
0.7 |
0.943 |
0 |
0 |
0 |
0.000 |
| 47 |
69 |
|
[EDO]D:301 |
4 |
1 |
185 |
◊ |
G |
x,y,z |
1_555 |
2 |
1 |
9473 |
21.7 |
0.8 |
0.933 |
0 |
0 |
0 |
0.000 |
| 48 |
70 |
|
H |
3 |
2 |
9324 |
◊ |
D |
-x+2,y-1/2,-z+1 |
2_746 |
3 |
1 |
9242 |
20.2 |
-0.2 |
0.416 |
0 |
0 |
0 |
0.000 |
| 49 |
71 |
|
[EDO]N:301 |
4 |
1 |
186 |
◊ |
M |
x,y,z |
1_555 |
1 |
1 |
9640 |
20.0 |
0.8 |
0.963 |
0 |
0 |
0 |
0.000 |
| 50 |
72 |
|
[EDO]E:301 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
9301 |
20.0 |
0.9 |
0.960 |
0 |
0 |
0 |
0.000 |
| 51 |
73 |
|
M |
2 |
2 |
9640 |
◊ |
N |
x-1,y,z |
1_455 |
2 |
2 |
8873 |
17.6 |
0.0 |
0.566 |
0 |
0 |
0 |
0.000 |
| 52 |
74 |
|
J |
3 |
1 |
9571 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
9301 |
14.7 |
0.2 |
0.613 |
0 |
0 |
0 |
0.000 |
| 53 |
75 |
|
I |
1 |
1 |
9166 |
◊ |
H |
x,y,z |
1_555 |
1 |
1 |
9324 |
4.7 |
0.0 |
0.490 |
0 |
0 |
0 |
0.000 |
76 |
|
L |
1 |
1 |
9202 |
◊ |
D |
x,y,z |
1_555 |
1 |
1 |
9242 |
0.3 |
0.0 |
0.620 |
0 |
0 |
0 |
0.000 |
| Average: |
2.5 |
0.0 |
0.555 |
0 |
0 |
0 |
0.000 |
|