| ## |
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 |
|
H |
215 |
57 |
12190 |
◊ |
F |
x,y,z |
1_555 |
220 |
60 |
11946 |
2001.8 |
-27.4 |
0.064 |
23 |
1 |
1 |
1.000 |
2 |
|
K |
215 |
57 |
12189 |
◊ |
J |
x,y,z |
1_555 |
225 |
62 |
11963 |
1970.0 |
-29.2 |
0.057 |
19 |
2 |
1 |
1.000 |
3 |
|
D |
214 |
60 |
12227 |
◊ |
C |
x,y,z |
1_555 |
224 |
62 |
12013 |
1962.7 |
-28.1 |
0.048 |
16 |
2 |
1 |
1.000 |
4 |
|
B |
210 |
59 |
12129 |
◊ |
A |
x,y,z |
1_555 |
218 |
62 |
11929 |
1947.7 |
-28.6 |
0.047 |
17 |
1 |
1 |
1.000 |
| Average: |
1970.5 |
-28.3 |
0.054 |
19 |
2 |
1 |
1.000 |
| 2 |
5 |
|
H |
54 |
15 |
12190 |
◊ |
I |
x,y,z |
1_555 |
59 |
18 |
9464 |
526.3 |
0.5 |
0.742 |
13 |
10 |
0 |
0.102 |
6 |
|
B |
53 |
14 |
12129 |
◊ |
E |
x,y,z |
1_555 |
60 |
18 |
9130 |
517.6 |
0.4 |
0.738 |
12 |
10 |
0 |
0.102 |
7 |
|
D |
52 |
14 |
12227 |
◊ |
G |
x,y,z |
1_555 |
60 |
18 |
8956 |
493.7 |
0.2 |
0.736 |
11 |
9 |
0 |
0.102 |
| Average: |
512.6 |
0.3 |
0.738 |
12 |
10 |
0 |
0.102 |
| 3 |
8 |
|
K |
55 |
15 |
12189 |
◊ |
L |
x,y,z |
1_555 |
60 |
18 |
9339 |
525.1 |
0.1 |
0.723 |
13 |
10 |
0 |
0.118 |
| 4 |
9 |
|
H |
38 |
10 |
12190 |
◊ |
D |
-x-3/2,-y,z-1/2 |
2_354 |
36 |
11 |
12227 |
367.7 |
-1.9 |
0.613 |
6 |
0 |
0 |
0.003 |
10 |
|
K |
37 |
11 |
12189 |
◊ |
B |
x,y,z |
1_555 |
39 |
11 |
12129 |
359.2 |
-1.8 |
0.650 |
6 |
0 |
0 |
0.003 |
| Average: |
363.4 |
-1.9 |
0.632 |
6 |
0 |
0 |
0.003 |
| 5 |
11 |
|
J |
43 |
9 |
11963 |
◊ |
L |
x,y,z |
1_555 |
42 |
11 |
9339 |
360.2 |
-2.2 |
0.431 |
8 |
0 |
0 |
0.093 |
| 6 |
12 |
|
A |
42 |
9 |
11929 |
◊ |
E |
x,y,z |
1_555 |
38 |
11 |
9130 |
360.0 |
-2.4 |
0.393 |
9 |
0 |
0 |
0.094 |
13 |
|
C |
42 |
10 |
12013 |
◊ |
G |
x,y,z |
1_555 |
41 |
12 |
8956 |
355.7 |
-2.1 |
0.423 |
8 |
0 |
0 |
0.094 |
14 |
|
F |
41 |
9 |
11946 |
◊ |
I |
x,y,z |
1_555 |
37 |
10 |
9464 |
349.7 |
-2.3 |
0.406 |
8 |
0 |
0 |
0.094 |
| Average: |
355.1 |
-2.3 |
0.407 |
8 |
0 |
0 |
0.094 |
| 7 |
15 |
|
J |
41 |
14 |
11963 |
◊ |
G |
x-1,y,z |
1_455 |
45 |
13 |
8956 |
353.6 |
0.8 |
0.711 |
4 |
3 |
0 |
0.000 |
| 8 |
16 |
|
H |
37 |
10 |
12190 |
◊ |
G |
x,y,z |
1_555 |
39 |
11 |
8956 |
337.2 |
1.0 |
0.752 |
3 |
0 |
0 |
0.000 |
17 |
|
B |
32 |
10 |
12129 |
◊ |
L |
-x-3/2,-y,z-1/2 |
2_354 |
40 |
12 |
9339 |
299.6 |
-0.7 |
0.587 |
3 |
0 |
0 |
0.000 |
18 |
|
D |
28 |
8 |
12227 |
◊ |
I |
x,y,z |
1_555 |
31 |
10 |
9464 |
236.9 |
-1.2 |
0.527 |
2 |
0 |
0 |
0.000 |
| Average: |
291.2 |
-0.3 |
0.622 |
3 |
0 |
0 |
0.000 |
| 9 |
19 |
|
E |
40 |
12 |
9130 |
◊ |
K |
-x-3/2,-y,z-1/2 |
2_354 |
31 |
10 |
12189 |
315.3 |
-0.7 |
0.591 |
2 |
0 |
0 |
0.000 |
| 10 |
20 |
|
E |
38 |
11 |
9130 |
◊ |
F |
-x-1,y-1/2,-z-1/2 |
3_444 |
25 |
11 |
11946 |
273.2 |
-1.1 |
0.487 |
2 |
2 |
0 |
0.000 |
| 11 |
21 |
|
J |
32 |
13 |
11963 |
◊ |
F |
x-1/2,-y+1/2,-z |
4_455 |
33 |
9 |
11946 |
269.1 |
0.3 |
0.697 |
1 |
0 |
0 |
0.000 |
| 12 |
22 |
|
H |
28 |
7 |
12190 |
◊ |
K |
-x-3/2,-y,z-1/2 |
2_354 |
26 |
10 |
12189 |
237.4 |
-0.1 |
0.678 |
5 |
1 |
0 |
0.000 |
23 |
|
D |
28 |
10 |
12227 |
◊ |
B |
x,y,z |
1_555 |
30 |
7 |
12129 |
235.7 |
0.3 |
0.731 |
6 |
1 |
0 |
0.000 |
24 |
|
B |
26 |
9 |
12129 |
◊ |
D |
-x-3/2,-y,z-1/2 |
2_354 |
28 |
9 |
12227 |
230.2 |
0.3 |
0.739 |
6 |
1 |
0 |
0.000 |
| Average: |
234.4 |
0.2 |
0.716 |
6 |
1 |
0 |
0.000 |
| 13 |
25 |
|
K |
24 |
9 |
12189 |
◊ |
C |
x-1,y,z |
1_455 |
24 |
8 |
12013 |
230.2 |
-0.2 |
0.589 |
4 |
1 |
0 |
0.000 |
| 14 |
26 |
|
A |
28 |
9 |
11929 |
◊ |
L |
-x-3/2,-y,z-1/2 |
2_354 |
16 |
6 |
9339 |
216.7 |
2.4 |
0.839 |
7 |
2 |
0 |
0.000 |
27 |
|
F |
22 |
9 |
11946 |
◊ |
G |
x,y,z |
1_555 |
23 |
8 |
8956 |
206.6 |
1.6 |
0.770 |
5 |
2 |
0 |
0.000 |
28 |
|
E |
17 |
6 |
9130 |
◊ |
J |
-x-3/2,-y,z-1/2 |
2_354 |
23 |
9 |
11963 |
198.1 |
2.3 |
0.819 |
6 |
2 |
0 |
0.000 |
29 |
|
C |
11 |
7 |
12013 |
◊ |
I |
x,y,z |
1_555 |
13 |
5 |
9464 |
129.0 |
1.8 |
0.827 |
5 |
1 |
0 |
0.000 |
| Average: |
187.6 |
2.0 |
0.814 |
6 |
2 |
0 |
0.000 |
| 15 |
30 |
|
K |
23 |
5 |
12189 |
◊ |
H |
x,y,z |
1_555 |
23 |
8 |
12190 |
208.9 |
0.3 |
0.733 |
6 |
1 |
0 |
0.000 |
| 16 |
31 |
|
E |
21 |
5 |
9130 |
◊ |
C |
x-1/2,-y-1/2,-z |
4_445 |
21 |
6 |
12013 |
183.8 |
0.3 |
0.621 |
2 |
2 |
0 |
0.000 |
| 17 |
32 |
|
F |
29 |
9 |
11946 |
◊ |
C |
-x-1/2,-y,z-1/2 |
2_454 |
16 |
7 |
12013 |
181.3 |
-1.3 |
0.486 |
1 |
0 |
0 |
0.000 |
| 18 |
33 |
|
A |
20 |
6 |
11929 |
x |
A |
x-1/2,-y-1/2,-z |
4_445 |
19 |
6 |
11929 |
149.7 |
-1.3 |
0.451 |
0 |
0 |
0 |
0.000 |
| 19 |
34 |
|
L |
18 |
5 |
9339 |
◊ |
F |
x-1/2,-y+1/2,-z |
4_455 |
19 |
6 |
11946 |
146.1 |
-1.2 |
0.307 |
1 |
0 |
0 |
0.000 |
| 20 |
35 |
|
B |
16 |
6 |
12129 |
◊ |
J |
x,y,z |
1_555 |
17 |
4 |
11963 |
138.4 |
-1.8 |
0.404 |
0 |
0 |
0 |
0.002 |
36 |
|
K |
14 |
6 |
12189 |
◊ |
A |
x,y,z |
1_555 |
14 |
3 |
11929 |
126.5 |
-1.5 |
0.400 |
0 |
0 |
0 |
0.002 |
37 |
|
H |
15 |
6 |
12190 |
◊ |
C |
-x-3/2,-y,z-1/2 |
2_354 |
13 |
3 |
12013 |
124.7 |
-1.7 |
0.367 |
0 |
0 |
0 |
0.002 |
38 |
|
F |
7 |
2 |
11946 |
◊ |
D |
-x-3/2,-y,z-1/2 |
2_354 |
11 |
5 |
12227 |
76.7 |
-1.2 |
0.379 |
0 |
0 |
0 |
0.002 |
| Average: |
116.6 |
-1.5 |
0.388 |
0 |
0 |
0 |
0.002 |
| 21 |
39 |
|
L |
14 |
6 |
9339 |
◊ |
C |
x-1,y,z |
1_455 |
20 |
9 |
12013 |
132.8 |
-0.8 |
0.475 |
1 |
0 |
0 |
0.000 |
| 22 |
40 |
|
[GOL]B:1 |
5 |
1 |
223 |
f |
B |
x,y,z |
1_555 |
22 |
9 |
12129 |
132.7 |
0.4 |
0.690 |
3 |
0 |
0 |
1.000 |
| 23 |
41 |
|
[GOL]D:227 |
6 |
1 |
222 |
f |
D |
x,y,z |
1_555 |
21 |
9 |
12227 |
131.3 |
0.4 |
0.680 |
5 |
0 |
0 |
0.100 |
| 24 |
42 |
|
E |
12 |
5 |
9130 |
◊ |
L |
-x-3/2,-y,z-1/2 |
2_354 |
12 |
5 |
9339 |
120.0 |
-1.4 |
0.301 |
0 |
0 |
0 |
0.000 |
43 |
|
I |
8 |
4 |
9464 |
◊ |
G |
x,y,z |
1_555 |
7 |
3 |
8956 |
80.1 |
-1.7 |
0.166 |
0 |
0 |
0 |
0.000 |
| Average: |
100.0 |
-1.6 |
0.234 |
0 |
0 |
0 |
0.000 |
| 25 |
44 |
|
[GOL]A:221 |
6 |
1 |
223 |
f |
A |
x,y,z |
1_555 |
18 |
9 |
11929 |
115.8 |
-1.0 |
0.427 |
2 |
0 |
0 |
0.100 |
| 26 |
45 |
|
[GOL]G:6 |
6 |
1 |
223 |
f |
G |
x,y,z |
1_555 |
20 |
6 |
8956 |
109.9 |
0.6 |
0.647 |
3 |
0 |
0 |
0.012 |
| 27 |
46 |
|
[EDO]J:221 |
4 |
1 |
186 |
◊ |
J |
x,y,z |
1_555 |
13 |
7 |
11963 |
102.9 |
3.9 |
0.505 |
3 |
0 |
0 |
0.000 |
| 28 |
47 |
|
J |
14 |
5 |
11963 |
◊ |
I |
x-1,y,z |
1_455 |
12 |
4 |
9464 |
89.8 |
2.0 |
0.841 |
4 |
3 |
0 |
0.000 |
| 29 |
48 |
|
[EDO]J:222 |
4 |
1 |
186 |
f |
J |
x,y,z |
1_555 |
14 |
7 |
11963 |
89.1 |
2.0 |
0.273 |
2 |
0 |
0 |
0.000 |
| 30 |
49 |
|
[EDO]D:2 |
4 |
1 |
184 |
◊ |
D |
x,y,z |
1_555 |
24 |
10 |
12227 |
87.3 |
3.3 |
0.575 |
4 |
0 |
0 |
0.000 |
| 31 |
50 |
|
[GOL]G:5 |
5 |
1 |
223 |
f |
G |
x,y,z |
1_555 |
11 |
6 |
8956 |
81.1 |
-0.1 |
0.581 |
3 |
0 |
0 |
0.022 |
| 32 |
51 |
|
[EDO]C:222 |
4 |
1 |
183 |
f |
C |
x,y,z |
1_555 |
11 |
5 |
12013 |
79.6 |
2.0 |
0.871 |
4 |
0 |
0 |
0.000 |
| 33 |
52 |
|
A |
7 |
3 |
11929 |
◊ |
G |
x-1/2,-y-1/2,-z |
4_445 |
7 |
2 |
8956 |
77.9 |
0.2 |
0.453 |
1 |
0 |
0 |
0.000 |
| 34 |
53 |
|
[EDO]K:227 |
4 |
1 |
185 |
◊ |
K |
x,y,z |
1_555 |
12 |
5 |
12189 |
77.3 |
1.5 |
0.776 |
2 |
0 |
0 |
0.000 |
| 35 |
54 |
|
[EDO]D:228 |
4 |
1 |
185 |
◊ |
D |
x,y,z |
1_555 |
13 |
5 |
12227 |
77.3 |
2.0 |
0.880 |
2 |
0 |
0 |
0.000 |
| 36 |
55 |
|
[EDO]C:221 |
4 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
11 |
5 |
12013 |
76.9 |
1.7 |
0.251 |
3 |
0 |
0 |
0.000 |
| 37 |
56 |
|
[GOL]A:221 |
6 |
1 |
223 |
◊ |
B |
x,y,z |
1_555 |
10 |
5 |
12129 |
74.0 |
1.3 |
0.811 |
4 |
0 |
0 |
0.011 |
| 38 |
57 |
|
[EDO]C:221 |
4 |
1 |
184 |
◊ |
D |
x,y,z |
1_555 |
8 |
5 |
12227 |
71.8 |
2.1 |
0.900 |
2 |
0 |
0 |
0.000 |
| 39 |
58 |
|
[EDO]C:222 |
4 |
1 |
183 |
◊ |
D |
x,y,z |
1_555 |
9 |
4 |
12227 |
67.7 |
2.8 |
0.330 |
1 |
0 |
0 |
0.000 |
| 40 |
59 |
|
G |
10 |
4 |
8956 |
◊ |
L |
-x-3/2,-y,z-1/2 |
2_354 |
7 |
2 |
9339 |
58.8 |
-0.9 |
0.355 |
0 |
0 |
0 |
0.000 |
| 41 |
60 |
|
[EDO]H:227 |
4 |
1 |
186 |
◊ |
H |
x,y,z |
1_555 |
12 |
5 |
12190 |
58.7 |
1.5 |
0.859 |
1 |
0 |
0 |
0.000 |
| 42 |
61 |
|
J |
10 |
6 |
11963 |
◊ |
F |
x-1,y,z |
1_455 |
9 |
3 |
11946 |
56.4 |
1.2 |
0.757 |
0 |
0 |
0 |
0.000 |
| 43 |
62 |
|
[EDO]D:2 |
4 |
1 |
184 |
◊ |
G |
x,y,z |
1_555 |
11 |
4 |
8956 |
55.4 |
1.1 |
0.581 |
1 |
0 |
0 |
0.000 |
| 44 |
63 |
|
[GOL]G:5 |
4 |
1 |
223 |
◊ |
C |
x,y,z |
1_555 |
9 |
2 |
12013 |
52.6 |
-0.4 |
0.483 |
1 |
0 |
0 |
0.013 |
| 45 |
64 |
|
[EDO]D:228 |
3 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
8 |
6 |
12129 |
52.5 |
1.3 |
0.859 |
1 |
0 |
0 |
0.000 |
| 46 |
65 |
|
[GOL]G:5 |
3 |
1 |
223 |
◊ |
D |
x,y,z |
1_555 |
6 |
2 |
12227 |
47.2 |
0.0 |
0.599 |
0 |
0 |
0 |
0.000 |
| 47 |
66 |
|
A |
9 |
6 |
11929 |
◊ |
G |
x-1,y,z |
1_455 |
8 |
5 |
8956 |
44.9 |
1.1 |
0.782 |
0 |
0 |
0 |
0.000 |
| 48 |
67 |
|
[CA]L:500 |
1 |
1 |
85 |
f |
L |
x,y,z |
1_555 |
9 |
5 |
9339 |
34.9 |
-8.0 |
0.000 |
0 |
0 |
0 |
0.131 |
68 |
|
[CA]E:500 |
1 |
1 |
85 |
f |
E |
x,y,z |
1_555 |
11 |
6 |
9130 |
34.7 |
-8.3 |
0.000 |
0 |
0 |
0 |
0.131 |
69 |
|
[CA]I:500 |
1 |
1 |
85 |
f |
I |
x,y,z |
1_555 |
10 |
6 |
9464 |
34.2 |
-8.2 |
0.000 |
0 |
0 |
0 |
0.131 |
70 |
|
[CA]G:500 |
1 |
1 |
85 |
f |
G |
x,y,z |
1_555 |
9 |
6 |
8956 |
34.1 |
-8.2 |
0.000 |
0 |
0 |
0 |
0.131 |
| Average: |
34.5 |
-8.2 |
0.000 |
0 |
0 |
0 |
0.131 |
| 49 |
71 |
|
[GOL]G:6 |
3 |
1 |
223 |
◊ |
D |
x,y,z |
1_555 |
2 |
1 |
12227 |
33.1 |
0.7 |
0.698 |
1 |
0 |
0 |
0.000 |
| 50 |
72 |
|
J |
4 |
2 |
11963 |
◊ |
C |
x-1,y,z |
1_455 |
4 |
1 |
12013 |
32.8 |
0.7 |
0.821 |
1 |
1 |
0 |
0.000 |
| 51 |
73 |
|
[EDO]J:222 |
3 |
1 |
186 |
◊ |
K |
x,y,z |
1_555 |
7 |
3 |
12189 |
32.6 |
1.2 |
0.899 |
0 |
0 |
0 |
0.000 |
| 52 |
74 |
|
K |
5 |
3 |
12189 |
◊ |
G |
x-1,y,z |
1_455 |
4 |
2 |
8956 |
32.4 |
-0.5 |
0.386 |
0 |
0 |
0 |
0.000 |
| 53 |
75 |
|
F |
6 |
2 |
11946 |
◊ |
L |
-x-3/2,-y,z-1/2 |
2_354 |
5 |
3 |
9339 |
29.2 |
0.3 |
0.691 |
0 |
0 |
0 |
0.000 |
| 54 |
76 |
|
E |
6 |
2 |
9130 |
◊ |
I |
-x-3/2,-y,z-1/2 |
2_354 |
2 |
1 |
9464 |
27.5 |
-0.4 |
0.476 |
0 |
0 |
0 |
0.000 |
| 55 |
77 |
|
J |
6 |
5 |
11963 |
◊ |
I |
x-1/2,-y+1/2,-z |
4_455 |
7 |
4 |
9464 |
24.3 |
0.9 |
0.752 |
0 |
0 |
0 |
0.000 |
| 56 |
78 |
|
[CA]L:500 |
1 |
1 |
85 |
◊ |
K |
x,y,z |
1_555 |
3 |
1 |
12189 |
22.7 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.061 |
79 |
|
[CA]I:500 |
1 |
1 |
85 |
◊ |
H |
x,y,z |
1_555 |
3 |
1 |
12190 |
22.4 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.061 |
80 |
|
[CA]E:500 |
1 |
1 |
85 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
12129 |
22.1 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.061 |
81 |
|
[CA]G:500 |
1 |
1 |
85 |
◊ |
D |
x,y,z |
1_555 |
3 |
1 |
12227 |
22.1 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.061 |
| Average: |
22.3 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.061 |
| 57 |
82 |
|
K |
3 |
1 |
12189 |
◊ |
I |
x-1/2,-y+1/2,-z |
4_455 |
3 |
2 |
9464 |
17.1 |
0.1 |
0.683 |
0 |
0 |
0 |
0.000 |
| 58 |
83 |
|
[EDO]H:227 |
2 |
1 |
186 |
f |
K |
x,y,z |
1_555 |
2 |
2 |
12189 |
16.9 |
0.7 |
0.887 |
0 |
0 |
0 |
0.000 |
| 59 |
84 |
|
J |
2 |
2 |
11963 |
◊ |
H |
x-1/2,-y+1/2,-z |
4_455 |
2 |
1 |
12190 |
12.8 |
0.2 |
0.644 |
0 |
0 |
0 |
0.000 |
| 60 |
85 |
|
B |
3 |
3 |
12129 |
◊ |
G |
x-1,y,z |
1_455 |
2 |
1 |
8956 |
8.5 |
0.3 |
0.773 |
0 |
0 |
0 |
0.000 |
| 61 |
86 |
|
[EDO]D:2 |
1 |
1 |
184 |
f |
I |
x,y,z |
1_555 |
2 |
1 |
9464 |
8.2 |
0.2 |
0.863 |
0 |
0 |
0 |
0.000 |
| 62 |
87 |
|
[CA]G:500 |
1 |
1 |
85 |
◊ |
C |
x,y,z |
1_555 |
2 |
1 |
12013 |
6.3 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.013 |
88 |
|
[CA]L:500 |
1 |
1 |
85 |
◊ |
J |
x,y,z |
1_555 |
2 |
1 |
11963 |
5.9 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.013 |
89 |
|
[CA]E:500 |
1 |
1 |
85 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
11929 |
5.8 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.013 |
90 |
|
[CA]I:500 |
1 |
1 |
85 |
◊ |
F |
x,y,z |
1_555 |
2 |
1 |
11946 |
5.7 |
-0.7 |
0.000 |
0 |
0 |
0 |
0.013 |
| Average: |
5.9 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.013 |
| 63 |
91 |
|
[EDO]J:221 |
1 |
1 |
186 |
f |
L |
x,y,z |
1_555 |
3 |
1 |
9339 |
5.8 |
0.0 |
0.760 |
0 |
0 |
0 |
0.000 |
| 64 |
92 |
|
[EDO]K:227 |
1 |
1 |
185 |
f |
J |
x,y,z |
1_555 |
1 |
1 |
11963 |
4.5 |
0.2 |
0.865 |
0 |
0 |
0 |
0.000 |
| 65 |
93 |
|
L |
1 |
1 |
9339 |
◊ |
D |
x-1,y,z |
1_455 |
1 |
1 |
12227 |
0.1 |
0.0 |
0.651 |
0 |
0 |
0 |
0.000 |
|