## |
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 |
|
D |
71 |
19 |
5921 |
◊ |
A |
x,y,z |
1_555 |
70 |
19 |
5906 |
618.9 |
2.0 |
0.703 |
12 |
0 |
0 |
0.000 |
2 |
2 |
|
C |
55 |
10 |
3062 |
◊ |
A |
x,y,z |
1_555 |
55 |
17 |
5906 |
528.3 |
-6.3 |
0.567 |
10 |
0 |
0 |
0.397 |
3 |
|
F |
52 |
10 |
3026 |
◊ |
D |
x,y,z |
1_555 |
54 |
17 |
5921 |
517.1 |
-6.3 |
0.552 |
9 |
0 |
0 |
0.397 |
Average: |
522.7 |
-6.3 |
0.559 |
10 |
0 |
0 |
0.397 |
3 |
4 |
|
C |
54 |
13 |
3062 |
◊ |
B |
x,y,z |
1_555 |
47 |
12 |
2890 |
525.2 |
-6.9 |
0.610 |
25 |
0 |
0 |
1.000 |
4 |
5 |
|
E |
51 |
11 |
2667 |
◊ |
F |
x,y,z |
1_555 |
52 |
13 |
3026 |
497.0 |
-6.0 |
0.664 |
21 |
0 |
0 |
1.000 |
5 |
6 |
|
B |
35 |
7 |
2890 |
◊ |
A |
x,y,z |
1_555 |
35 |
13 |
5906 |
336.1 |
-3.0 |
0.492 |
8 |
0 |
0 |
0.242 |
6 |
7 |
|
E |
33 |
6 |
2667 |
◊ |
D |
x,y,z |
1_555 |
34 |
14 |
5921 |
308.3 |
-3.0 |
0.522 |
8 |
0 |
0 |
0.000 |
7 |
8 |
|
D |
27 |
7 |
5921 |
◊ |
D |
-x,y,-z+2 |
2_557 |
27 |
7 |
5921 |
229.9 |
-1.4 |
0.378 |
9 |
0 |
0 |
0.000 |
8 |
9 |
|
A |
24 |
5 |
5906 |
◊ |
A |
-x,y,-z+2 |
2_557 |
24 |
5 |
5906 |
228.0 |
-4.4 |
0.081 |
1 |
0 |
0 |
0.000 |
9 |
10 |
|
A |
15 |
4 |
5906 |
◊ |
F |
-x+1/2,y-1/2,-z+2 |
4_547 |
15 |
4 |
3026 |
113.8 |
-0.0 |
0.666 |
1 |
0 |
0 |
0.000 |
10 |
11 |
|
B |
14 |
2 |
2890 |
◊ |
B |
-x+1,y,-z+3 |
2_658 |
14 |
2 |
2890 |
111.7 |
-3.8 |
0.365 |
0 |
0 |
0 |
0.000 |
11 |
12 |
|
[EOH]A:303 |
3 |
1 |
172 |
f |
A |
x,y,z |
1_555 |
13 |
8 |
5906 |
105.7 |
3.7 |
0.280 |
3 |
0 |
0 |
0.000 |
12 |
13 |
|
A |
11 |
4 |
5906 |
◊ |
C |
x,y,z-1 |
1_554 |
13 |
3 |
3062 |
94.5 |
-0.6 |
0.537 |
1 |
0 |
0 |
0.000 |
14 |
|
F |
12 |
3 |
3026 |
◊ |
D |
x,y,z-1 |
1_554 |
11 |
4 |
5921 |
88.7 |
-0.8 |
0.541 |
1 |
0 |
0 |
0.000 |
Average: |
91.6 |
-0.7 |
0.539 |
1 |
0 |
0 |
0.000 |
13 |
15 |
|
[EOH]D:301 |
3 |
1 |
172 |
◊ |
D |
x,y,z |
1_555 |
21 |
7 |
5921 |
92.9 |
4.0 |
0.495 |
2 |
0 |
0 |
0.000 |
14 |
16 |
|
C |
11 |
3 |
3062 |
◊ |
D |
x,y,z |
1_555 |
11 |
5 |
5921 |
88.2 |
-3.3 |
0.311 |
1 |
0 |
0 |
0.000 |
17 |
|
F |
10 |
2 |
3026 |
◊ |
A |
x,y,z |
1_555 |
10 |
4 |
5906 |
78.9 |
-3.0 |
0.298 |
1 |
0 |
0 |
0.000 |
Average: |
83.6 |
-3.2 |
0.305 |
1 |
0 |
0 |
0.000 |
15 |
18 |
|
[EOH]E:102 |
3 |
1 |
170 |
◊ |
D |
x,y,z-1 |
1_554 |
16 |
5 |
5921 |
87.9 |
3.6 |
0.313 |
2 |
0 |
0 |
0.000 |
16 |
19 |
|
[EDO]D:304 |
4 |
1 |
184 |
◊ |
D |
x,y,z |
1_555 |
15 |
11 |
5921 |
87.5 |
2.9 |
0.413 |
0 |
0 |
0 |
0.000 |
17 |
20 |
|
[EOH]A:307 |
3 |
1 |
172 |
◊ |
A |
x,y,z |
1_555 |
16 |
7 |
5906 |
86.6 |
2.8 |
0.254 |
1 |
0 |
0 |
0.000 |
18 |
21 |
|
[EOH]D:302 |
3 |
1 |
173 |
◊ |
D |
x,y,z |
1_555 |
13 |
7 |
5921 |
85.5 |
3.2 |
0.164 |
1 |
0 |
0 |
0.000 |
19 |
22 |
|
A |
15 |
4 |
5906 |
◊ |
B |
x,y,z-1 |
1_554 |
9 |
1 |
2890 |
84.8 |
-1.1 |
0.444 |
0 |
0 |
0 |
0.000 |
20 |
23 |
|
A |
7 |
4 |
5906 |
◊ |
E |
-x+1/2,y-1/2,-z+2 |
4_547 |
13 |
3 |
2667 |
83.7 |
-0.8 |
0.456 |
0 |
0 |
0 |
0.000 |
21 |
24 |
|
E |
8 |
1 |
2667 |
◊ |
D |
x,y,z-1 |
1_554 |
13 |
2 |
5921 |
80.1 |
-0.9 |
0.448 |
0 |
0 |
0 |
0.000 |
22 |
25 |
|
A |
13 |
5 |
5906 |
◊ |
[EOH]B:101 |
x,y,z-1 |
1_554 |
3 |
1 |
173 |
80.1 |
3.3 |
0.292 |
1 |
0 |
0 |
0.000 |
23 |
26 |
|
[EDO]F:106 |
4 |
1 |
184 |
◊ |
D |
x,y,z |
1_555 |
16 |
5 |
5921 |
77.0 |
2.6 |
0.276 |
2 |
0 |
0 |
0.000 |
24 |
27 |
|
[EOH]A:304 |
3 |
1 |
171 |
◊ |
A |
x,y,z |
1_555 |
20 |
6 |
5906 |
76.5 |
3.2 |
0.490 |
2 |
0 |
0 |
0.000 |
25 |
28 |
|
[EOH]A:306 |
3 |
1 |
173 |
◊ |
A |
x,y,z |
1_555 |
11 |
3 |
5906 |
75.0 |
2.6 |
0.150 |
1 |
0 |
0 |
0.000 |
26 |
29 |
|
[EOH]A:302 |
3 |
1 |
173 |
◊ |
A |
x,y,z |
1_555 |
14 |
6 |
5906 |
70.0 |
2.5 |
0.143 |
0 |
0 |
0 |
0.000 |
27 |
30 |
|
[EDO]A:310 |
4 |
1 |
184 |
f |
A |
-x,y,-z+2 |
2_557 |
9 |
3 |
5906 |
69.3 |
1.6 |
0.221 |
2 |
0 |
0 |
0.000 |
28 |
31 |
|
[EOH]A:305 |
3 |
1 |
172 |
◊ |
A |
x,y,z |
1_555 |
9 |
4 |
5906 |
64.9 |
2.9 |
0.170 |
3 |
0 |
0 |
0.000 |
29 |
32 |
|
[EDO]A:309 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
11 |
4 |
5906 |
64.7 |
1.3 |
0.721 |
1 |
0 |
0 |
0.000 |
30 |
33 |
|
[EDO]D:304 |
4 |
1 |
184 |
f |
E |
x,y,z |
1_555 |
10 |
2 |
2667 |
61.2 |
0.7 |
0.727 |
1 |
0 |
0 |
0.000 |
31 |
34 |
|
[EOH]A:301 |
3 |
1 |
171 |
◊ |
A |
x,y,z |
1_555 |
12 |
5 |
5906 |
60.5 |
2.5 |
0.300 |
0 |
0 |
0 |
0.000 |
32 |
35 |
|
[EDO]E:103 |
3 |
1 |
185 |
◊ |
E |
x,y,z |
1_555 |
9 |
3 |
2667 |
60.4 |
2.5 |
0.309 |
1 |
0 |
0 |
0.000 |
33 |
36 |
|
[EOH]A:301 |
3 |
1 |
171 |
f |
D |
x,y,z |
1_555 |
11 |
3 |
5921 |
60.3 |
2.0 |
0.151 |
2 |
0 |
0 |
0.000 |
34 |
37 |
|
[EDO]F:106 |
4 |
1 |
184 |
f |
F |
x,y,z |
1_555 |
8 |
2 |
3026 |
60.1 |
0.4 |
0.700 |
3 |
0 |
0 |
0.070 |
35 |
38 |
|
[EOH]F:102 |
3 |
1 |
172 |
◊ |
F |
x,y,z |
1_555 |
10 |
2 |
3026 |
57.6 |
0.7 |
0.000 |
1 |
0 |
0 |
0.000 |
36 |
39 |
|
[EDO]C:101 |
3 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
12 |
3 |
3062 |
57.5 |
1.5 |
0.862 |
2 |
0 |
0 |
0.000 |
37 |
40 |
|
[EDO]F:104 |
4 |
1 |
184 |
◊ |
F |
x,y,z |
1_555 |
11 |
3 |
3026 |
56.6 |
1.5 |
0.827 |
0 |
0 |
0 |
0.000 |
38 |
41 |
|
[EDO]F:104 |
3 |
1 |
184 |
◊ |
D |
x,y,z-1 |
1_554 |
12 |
6 |
5921 |
55.5 |
1.6 |
0.258 |
0 |
0 |
0 |
0.000 |
39 |
42 |
|
[EDO]E:103 |
4 |
1 |
185 |
◊ |
F |
x,y,z |
1_555 |
10 |
3 |
3026 |
55.3 |
1.9 |
0.885 |
0 |
0 |
0 |
0.000 |
40 |
43 |
|
[EOH]A:306 |
3 |
1 |
173 |
f |
C |
x,y,z |
1_555 |
8 |
2 |
3062 |
54.5 |
1.2 |
0.000 |
0 |
0 |
0 |
0.000 |
41 |
44 |
|
[EDO]F:105 |
4 |
1 |
183 |
◊ |
E |
x,y,z |
1_555 |
9 |
3 |
2667 |
54.3 |
3.0 |
0.312 |
0 |
0 |
0 |
0.000 |
42 |
45 |
|
[EOH]D:303 |
3 |
1 |
172 |
f |
F |
x,y,z |
1_555 |
12 |
3 |
3026 |
52.5 |
2.1 |
0.000 |
0 |
0 |
0 |
0.000 |
43 |
46 |
|
[EDO]C:101 |
3 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
11 |
3 |
2890 |
49.7 |
2.1 |
0.860 |
0 |
0 |
0 |
0.000 |
44 |
47 |
|
[EOH]D:303 |
3 |
1 |
172 |
◊ |
E |
x,y,z |
1_555 |
11 |
3 |
2667 |
49.4 |
1.6 |
0.000 |
0 |
0 |
0 |
0.000 |
45 |
48 |
|
[EOH]F:102 |
3 |
1 |
172 |
◊ |
D |
x,y,z-1 |
1_554 |
6 |
2 |
5921 |
48.7 |
1.4 |
0.000 |
0 |
0 |
0 |
0.000 |
46 |
49 |
|
[EDO]A:308 |
3 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
12 |
5 |
5906 |
48.5 |
0.8 |
0.609 |
0 |
0 |
0 |
0.000 |
47 |
50 |
|
[EDO]F:105 |
4 |
1 |
183 |
f |
F |
x,y,z |
1_555 |
7 |
2 |
3026 |
48.4 |
0.2 |
0.700 |
2 |
0 |
0 |
0.053 |
48 |
51 |
|
[EDO]A:310 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
5 |
2 |
5906 |
47.5 |
1.1 |
0.803 |
0 |
0 |
0 |
0.000 |
49 |
52 |
|
[EOH]E:102 |
3 |
1 |
170 |
◊ |
E |
x,y,z |
1_555 |
6 |
1 |
2667 |
45.5 |
0.6 |
0.000 |
0 |
0 |
0 |
0.000 |
50 |
53 |
|
[EDO]F:105 |
4 |
1 |
183 |
◊ |
[EDO]F:104 |
x,y,z |
1_555 |
4 |
1 |
184 |
43.5 |
2.0 |
1.000 |
0 |
0 |
0 |
0.000 |
51 |
54 |
|
[EOH]D:302 |
2 |
1 |
173 |
f |
D |
-x,y,-z+2 |
2_557 |
4 |
2 |
5921 |
43.1 |
1.4 |
0.223 |
0 |
0 |
0 |
0.000 |
52 |
55 |
|
[EOH]B:101 |
3 |
1 |
173 |
f |
B |
x,y,z |
1_555 |
6 |
1 |
2890 |
42.6 |
-0.1 |
0.530 |
0 |
0 |
0 |
0.100 |
53 |
56 |
|
[EDO]A:308 |
3 |
1 |
184 |
◊ |
C |
x,y,z-1 |
1_554 |
8 |
2 |
3062 |
42.5 |
1.3 |
0.854 |
0 |
0 |
0 |
0.000 |
54 |
57 |
|
E |
6 |
2 |
2667 |
◊ |
A |
x,y,z |
1_555 |
5 |
3 |
5906 |
41.4 |
-1.1 |
0.453 |
0 |
0 |
0 |
0.000 |
55 |
58 |
|
[EOH]A:302 |
3 |
1 |
173 |
f |
D |
x,y,z |
1_555 |
5 |
2 |
5921 |
38.7 |
0.6 |
0.489 |
0 |
0 |
0 |
0.000 |
56 |
59 |
|
[EOH]D:303 |
2 |
1 |
172 |
◊ |
D |
x,y,z |
1_555 |
5 |
2 |
5921 |
34.9 |
1.9 |
0.313 |
0 |
0 |
0 |
0.000 |
57 |
60 |
|
C |
4 |
2 |
3062 |
◊ |
D |
-x+1/2,y-1/2,-z+3 |
4_548 |
6 |
2 |
5921 |
34.9 |
0.5 |
0.659 |
0 |
0 |
0 |
0.000 |
58 |
61 |
|
B |
6 |
2 |
2890 |
◊ |
D |
x,y,z |
1_555 |
6 |
2 |
5921 |
34.0 |
-1.0 |
0.459 |
0 |
0 |
0 |
0.000 |
59 |
62 |
|
[EOH]A:305 |
2 |
1 |
172 |
f |
C |
x,y,z |
1_555 |
5 |
2 |
3062 |
32.7 |
-0.5 |
0.610 |
2 |
0 |
0 |
0.101 |
60 |
63 |
|
B |
4 |
1 |
2890 |
◊ |
D |
-x+1/2,y-1/2,-z+3 |
4_548 |
6 |
4 |
5921 |
32.1 |
-1.6 |
0.317 |
1 |
0 |
0 |
0.000 |
61 |
64 |
|
A |
2 |
2 |
5906 |
◊ |
[EOH]F:103 |
-x+1/2,y-1/2,-z+2 |
4_547 |
3 |
1 |
172 |
31.7 |
0.2 |
0.313 |
0 |
0 |
0 |
0.000 |
62 |
65 |
|
A |
6 |
5 |
5906 |
f |
[CA]F:101 |
-x+1/2,y-1/2,-z+2 |
4_547 |
1 |
1 |
85 |
31.3 |
-5.6 |
0.000 |
0 |
0 |
0 |
0.320 |
63 |
66 |
|
[EOH]A:307 |
3 |
1 |
172 |
f |
D |
x,y,z |
1_555 |
2 |
1 |
5921 |
31.0 |
0.3 |
0.325 |
0 |
0 |
0 |
0.000 |
64 |
67 |
|
[EOH]A:302 |
2 |
1 |
173 |
f |
[EOH]A:301 |
x,y,z |
1_555 |
2 |
1 |
171 |
29.8 |
1.4 |
1.000 |
1 |
0 |
0 |
0.000 |
65 |
68 |
|
[EOH]A:305 |
2 |
1 |
172 |
◊ |
D |
x,y,z |
1_555 |
4 |
1 |
5921 |
29.1 |
1.1 |
0.000 |
0 |
0 |
0 |
0.000 |
66 |
69 |
|
[EOH]D:301 |
3 |
1 |
172 |
◊ |
A |
x,y,z |
1_555 |
4 |
1 |
5906 |
27.9 |
0.6 |
0.571 |
0 |
0 |
0 |
0.000 |
67 |
70 |
|
[CA]F:101 |
1 |
1 |
85 |
◊ |
F |
x,y,z |
1_555 |
4 |
2 |
3026 |
27.1 |
-5.5 |
0.000 |
0 |
0 |
0 |
0.000 |
68 |
71 |
|
[EOH]F:103 |
2 |
1 |
172 |
f |
F |
x,y,z |
1_555 |
5 |
1 |
3026 |
27.0 |
-0.4 |
0.619 |
0 |
0 |
0 |
0.026 |
69 |
72 |
|
[EOH]A:305 |
3 |
1 |
172 |
f |
[EOH]A:304 |
x,y,z |
1_555 |
1 |
1 |
171 |
24.5 |
1.6 |
0.577 |
0 |
0 |
0 |
0.000 |
70 |
73 |
|
[EDO]A:308 |
2 |
1 |
184 |
◊ |
B |
x,y,z-1 |
1_554 |
7 |
3 |
2890 |
22.6 |
0.8 |
0.808 |
0 |
0 |
0 |
0.000 |
71 |
74 |
|
[EOH]A:304 |
3 |
1 |
171 |
◊ |
D |
x,y,z |
1_555 |
4 |
1 |
5921 |
22.2 |
0.4 |
0.577 |
0 |
0 |
0 |
0.000 |
72 |
75 |
|
[CA]E:101 |
1 |
1 |
85 |
f |
F |
x,y,z |
1_555 |
8 |
3 |
3026 |
22.2 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.253 |
73 |
76 |
|
[CA]E:101 |
1 |
1 |
85 |
◊ |
E |
x,y,z |
1_555 |
5 |
2 |
2667 |
21.8 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.234 |
74 |
77 |
|
[EDO]F:104 |
2 |
1 |
184 |
f |
E |
x,y,z |
1_555 |
5 |
2 |
2667 |
20.5 |
0.6 |
0.793 |
0 |
0 |
0 |
0.000 |
75 |
78 |
|
[EOH]A:304 |
3 |
1 |
171 |
f |
C |
x,y,z |
1_555 |
3 |
1 |
3062 |
19.8 |
-0.4 |
0.579 |
0 |
0 |
0 |
0.027 |
76 |
79 |
|
[EDO]E:103 |
2 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
2 |
1 |
5921 |
19.3 |
0.4 |
0.812 |
0 |
0 |
0 |
0.000 |
77 |
80 |
|
[EDO]F:106 |
2 |
1 |
184 |
f |
[EOH]D:303 |
x,y,z |
1_555 |
2 |
1 |
172 |
17.1 |
0.9 |
1.000 |
0 |
0 |
0 |
0.000 |
78 |
81 |
|
[EDO]C:101 |
2 |
1 |
185 |
◊ |
D |
-x+1/2,y-1/2,-z+3 |
4_548 |
1 |
1 |
5921 |
16.1 |
0.8 |
0.940 |
0 |
0 |
0 |
0.000 |
79 |
82 |
|
[EOH]D:301 |
3 |
1 |
172 |
f |
F |
x,y,z |
1_555 |
2 |
1 |
3026 |
13.8 |
-0.3 |
0.557 |
0 |
0 |
0 |
0.024 |
80 |
83 |
|
[EDO]A:309 |
2 |
1 |
185 |
◊ |
[CA]F:101 |
-x+1/2,y-1/2,-z+2 |
4_547 |
1 |
1 |
85 |
10.8 |
-1.3 |
0.000 |
0 |
0 |
0 |
0.000 |
81 |
84 |
|
A |
3 |
1 |
5906 |
◊ |
[CA]E:101 |
-x+1/2,y-1/2,-z+2 |
4_547 |
1 |
1 |
85 |
10.3 |
-1.5 |
0.000 |
0 |
0 |
0 |
0.000 |
82 |
85 |
|
[CA]E:101 |
1 |
1 |
85 |
f |
[EOH]D:303 |
x,y,z |
1_555 |
2 |
1 |
172 |
8.8 |
-1.4 |
0.000 |
0 |
0 |
0 |
0.102 |
83 |
86 |
|
A |
2 |
1 |
5906 |
◊ |
D |
-x+1/2,y-1/2,-z+2 |
4_547 |
2 |
2 |
5921 |
8.4 |
0.0 |
0.522 |
0 |
0 |
0 |
0.000 |
84 |
87 |
|
A |
1 |
1 |
5906 |
◊ |
[EOH]D:303 |
-x+1/2,y-1/2,-z+2 |
4_547 |
1 |
1 |
172 |
7.8 |
0.4 |
0.894 |
0 |
0 |
0 |
0.000 |
85 |
88 |
|
C |
4 |
1 |
3062 |
f |
[EOH]E:102 |
-x+1/2,y-1/2,-z+2 |
4_547 |
1 |
1 |
170 |
7.3 |
0.3 |
0.792 |
0 |
0 |
0 |
0.000 |
86 |
89 |
|
C |
1 |
1 |
3062 |
◊ |
E |
-x+1/2,y-1/2,-z+2 |
4_547 |
1 |
1 |
2667 |
5.8 |
-0.6 |
0.180 |
0 |
0 |
0 |
0.000 |
87 |
90 |
|
[EOH]F:102 |
2 |
1 |
172 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
5906 |
3.0 |
0.2 |
0.881 |
0 |
0 |
0 |
0.000 |
88 |
91 |
|
F |
1 |
1 |
3026 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
2890 |
2.9 |
-0.3 |
0.192 |
0 |
0 |
0 |
0.000 |
89 |
92 |
|
E |
2 |
2 |
2667 |
◊ |
E |
-x+1,y,-z+2 |
2_657 |
2 |
2 |
2667 |
1.7 |
-0.2 |
0.349 |
0 |
0 |
0 |
0.000 |
90 |
93 |
|
[EOH]F:102 |
1 |
1 |
172 |
f |
C |
x,y,z-1 |
1_554 |
1 |
1 |
3062 |
1.1 |
-0.0 |
0.543 |
0 |
0 |
0 |
0.001 |
|