| ## |
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 |
307 |
79 |
12251 |
◊ |
A |
x,y,z |
1_555 |
302 |
74 |
11123 |
3153.4 |
-60.3 |
0.002 |
20 |
2 |
0 |
1.000 |
2 |
|
D |
289 |
72 |
11091 |
◊ |
C |
x,y,z |
1_555 |
289 |
73 |
11098 |
2907.9 |
-59.5 |
0.003 |
16 |
1 |
0 |
1.000 |
| Average: |
3030.6 |
-59.9 |
0.003 |
18 |
2 |
0 |
1.000 |
| 2 |
3 |
|
A |
57 |
15 |
11123 |
◊ |
B |
-x+1,y-1/2,-z |
2_645 |
47 |
11 |
12251 |
453.6 |
-0.1 |
0.789 |
3 |
1 |
0 |
0.000 |
| 3 |
4 |
|
A |
49 |
14 |
11123 |
◊ |
B |
-x,y-1/2,-z |
2_545 |
47 |
14 |
12251 |
431.4 |
-4.4 |
0.531 |
5 |
0 |
0 |
0.000 |
| 4 |
5 |
|
D |
41 |
12 |
11091 |
◊ |
C |
-x+1,y-1/2,-z+1 |
2_646 |
45 |
10 |
11098 |
410.5 |
5.3 |
0.972 |
10 |
7 |
0 |
0.000 |
| 5 |
6 |
|
D |
45 |
13 |
11091 |
◊ |
C |
-x,y-1/2,-z+1 |
2_546 |
39 |
12 |
11098 |
372.7 |
-1.8 |
0.719 |
6 |
4 |
0 |
0.000 |
| 6 |
7 |
|
[P6G]B:302 |
19 |
1 |
561 |
f |
B |
x,y,z |
1_555 |
60 |
15 |
12251 |
329.2 |
-0.7 |
0.373 |
2 |
0 |
0 |
1.000 |
| 7 |
8 |
|
[1PE]D:303 |
16 |
1 |
492 |
f |
D |
x,y,z |
1_555 |
59 |
15 |
11091 |
287.7 |
-1.3 |
0.683 |
4 |
0 |
0 |
0.196 |
| 8 |
9 |
|
[1PE]A:304 |
16 |
1 |
471 |
f |
A |
x,y,z |
1_555 |
55 |
12 |
11123 |
278.4 |
-3.9 |
0.471 |
1 |
0 |
0 |
0.179 |
| 9 |
10 |
|
D |
25 |
9 |
11091 |
◊ |
A |
x,y,z |
1_555 |
25 |
10 |
11123 |
265.3 |
-5.6 |
0.139 |
2 |
3 |
0 |
0.099 |
11 |
|
C |
25 |
10 |
11098 |
◊ |
B |
x,y,z |
1_555 |
28 |
9 |
12251 |
239.9 |
-5.8 |
0.121 |
1 |
1 |
0 |
0.099 |
| Average: |
252.6 |
-5.7 |
0.130 |
2 |
2 |
0 |
0.099 |
| 10 |
12 |
|
[PGE]C:301 |
10 |
1 |
338 |
◊ |
C |
x,y,z |
1_555 |
34 |
8 |
11098 |
168.1 |
4.2 |
0.440 |
1 |
0 |
0 |
0.000 |
| 11 |
13 |
|
D |
15 |
4 |
11091 |
◊ |
B |
x,y,z |
1_555 |
14 |
4 |
12251 |
157.8 |
-5.0 |
0.064 |
0 |
0 |
0 |
0.072 |
14 |
|
C |
15 |
5 |
11098 |
◊ |
A |
x,y,z |
1_555 |
16 |
5 |
11123 |
152.8 |
-4.8 |
0.080 |
0 |
0 |
0 |
0.072 |
| Average: |
155.3 |
-4.9 |
0.072 |
0 |
0 |
0 |
0.072 |
| 12 |
15 |
|
[1PE]D:303 |
14 |
1 |
492 |
◊ |
C |
x,y,z |
1_555 |
15 |
5 |
11098 |
128.0 |
-1.7 |
0.421 |
1 |
0 |
0 |
0.037 |
| 13 |
16 |
|
[EDO]C:208 |
4 |
1 |
184 |
◊ |
C |
x,y,z |
1_555 |
22 |
8 |
11098 |
115.8 |
3.3 |
0.501 |
1 |
0 |
0 |
0.000 |
| 14 |
17 |
|
[P6G]B:302 |
12 |
1 |
561 |
◊ |
A |
x,y,z |
1_555 |
15 |
5 |
11123 |
115.0 |
1.8 |
0.489 |
0 |
0 |
0 |
0.000 |
| 15 |
18 |
|
[1PE]A:304 |
10 |
1 |
471 |
◊ |
B |
x,y,z |
1_555 |
19 |
5 |
12251 |
113.9 |
-0.1 |
0.636 |
1 |
0 |
0 |
0.008 |
| 16 |
19 |
|
B |
10 |
3 |
12251 |
◊ |
A |
x-1,y,z |
1_455 |
13 |
2 |
11123 |
106.5 |
0.7 |
0.756 |
0 |
0 |
0 |
0.000 |
| 17 |
20 |
|
[PGE]C:301 |
9 |
1 |
338 |
f |
D |
x,y,z |
1_555 |
15 |
5 |
11091 |
103.9 |
0.9 |
0.133 |
2 |
0 |
0 |
0.000 |
| 18 |
21 |
|
[EDO]C:209 |
4 |
1 |
185 |
◊ |
C |
x,y,z |
1_555 |
12 |
4 |
11098 |
92.5 |
1.6 |
0.238 |
1 |
0 |
0 |
0.000 |
| 19 |
22 |
|
[EDO]A:208 |
4 |
1 |
182 |
◊ |
D |
x,y,z |
1_555 |
20 |
7 |
11091 |
91.3 |
1.9 |
0.460 |
1 |
0 |
0 |
0.000 |
| 20 |
23 |
|
[EDO]A:213 |
4 |
1 |
183 |
◊ |
B |
x,y,z |
1_555 |
19 |
7 |
12251 |
88.0 |
1.9 |
0.431 |
1 |
0 |
0 |
0.000 |
| 21 |
24 |
|
[EDO]B:211 |
4 |
1 |
186 |
◊ |
A |
x,y,z |
1_555 |
13 |
6 |
11123 |
87.6 |
2.8 |
0.536 |
1 |
0 |
0 |
0.000 |
| 22 |
25 |
|
[EDO]A:214 |
4 |
1 |
182 |
◊ |
A |
x,y,z |
1_555 |
20 |
7 |
11123 |
86.6 |
1.5 |
0.440 |
1 |
0 |
0 |
0.000 |
| 23 |
26 |
|
[EDO]B:206 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
10 |
3 |
12251 |
81.3 |
2.0 |
0.254 |
3 |
0 |
0 |
0.000 |
| 24 |
27 |
|
A |
9 |
3 |
11123 |
x |
A |
x-1,y,z |
1_455 |
7 |
3 |
11123 |
80.6 |
-0.2 |
0.644 |
0 |
0 |
0 |
0.000 |
| 25 |
28 |
|
B |
7 |
3 |
12251 |
x |
B |
-x,y-1/2,-z |
2_545 |
9 |
3 |
12251 |
78.7 |
0.9 |
0.628 |
1 |
0 |
0 |
0.000 |
| 26 |
29 |
|
[EDO]D:210 |
4 |
1 |
186 |
◊ |
C |
x,y,z |
1_555 |
12 |
5 |
11098 |
77.7 |
1.9 |
0.270 |
2 |
0 |
0 |
0.000 |
| 27 |
30 |
|
A |
11 |
4 |
11123 |
f |
[EDO]B:207 |
-x+1,y-1/2,-z |
2_645 |
4 |
1 |
184 |
73.6 |
1.7 |
0.270 |
2 |
0 |
0 |
0.000 |
| 28 |
31 |
|
[EDO]B:207 |
4 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
12 |
4 |
12251 |
72.9 |
1.2 |
0.217 |
0 |
0 |
0 |
0.000 |
| 29 |
32 |
|
[EDO]D:210 |
4 |
1 |
186 |
f |
D |
x,y,z |
1_555 |
13 |
5 |
11091 |
72.2 |
1.6 |
0.278 |
3 |
0 |
0 |
0.000 |
| 30 |
33 |
|
[EDO]D:206 |
4 |
1 |
182 |
◊ |
D |
x,y,z |
1_555 |
14 |
5 |
11091 |
69.4 |
1.9 |
0.463 |
1 |
0 |
0 |
0.000 |
| 31 |
34 |
|
[EDO]B:206 |
3 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
12 |
4 |
11123 |
68.6 |
1.8 |
0.285 |
2 |
0 |
0 |
0.000 |
| 32 |
35 |
|
[EDO]D:206 |
4 |
1 |
182 |
f |
C |
x,y,z |
1_555 |
13 |
5 |
11098 |
67.3 |
1.6 |
0.260 |
3 |
0 |
0 |
0.000 |
| 33 |
36 |
|
[EDO]A:207 |
4 |
1 |
180 |
◊ |
B |
x,y,z |
1_555 |
13 |
4 |
12251 |
66.0 |
1.7 |
0.258 |
2 |
0 |
0 |
0.000 |
| 34 |
37 |
|
[EDO]A:207 |
4 |
1 |
180 |
f |
A |
x,y,z |
1_555 |
14 |
4 |
11123 |
65.5 |
1.7 |
0.267 |
2 |
0 |
0 |
0.000 |
| 35 |
38 |
|
[EDO]A:212 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
13 |
7 |
11123 |
61.8 |
1.1 |
0.860 |
2 |
0 |
0 |
0.000 |
| 36 |
39 |
|
C |
6 |
2 |
11098 |
◊ |
D |
x-1,y,z |
1_455 |
6 |
2 |
11091 |
52.3 |
0.9 |
0.830 |
1 |
4 |
0 |
0.000 |
| 37 |
40 |
|
[EDO]B:208 |
4 |
1 |
183 |
◊ |
D |
x,y,z |
1_555 |
4 |
2 |
11091 |
47.5 |
0.8 |
0.661 |
1 |
0 |
0 |
0.000 |
| 38 |
41 |
|
[EDO]A:206 |
4 |
1 |
181 |
◊ |
C |
x,y,z |
1_555 |
5 |
2 |
11098 |
43.6 |
0.7 |
0.699 |
1 |
0 |
0 |
0.000 |
| 39 |
42 |
|
[EDO]B:211 |
2 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
5 |
2 |
12251 |
41.1 |
1.1 |
0.866 |
1 |
0 |
0 |
0.000 |
| 40 |
43 |
|
[EDO]B:208 |
4 |
1 |
183 |
◊ |
B |
x,y,z |
1_555 |
4 |
2 |
12251 |
40.6 |
0.9 |
0.729 |
0 |
0 |
0 |
0.000 |
| 41 |
44 |
|
[EDO]A:206 |
4 |
1 |
181 |
◊ |
A |
x,y,z |
1_555 |
5 |
2 |
11123 |
40.2 |
0.8 |
0.800 |
1 |
0 |
0 |
0.000 |
| 42 |
45 |
|
[EDO]C:209 |
3 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
4 |
1 |
11091 |
37.2 |
1.4 |
0.943 |
1 |
0 |
0 |
0.000 |
| 43 |
46 |
|
[EDO]A:214 |
2 |
1 |
182 |
◊ |
D |
x,y,z |
1_555 |
5 |
2 |
11091 |
36.8 |
0.7 |
0.544 |
1 |
0 |
0 |
0.000 |
| 44 |
47 |
|
[EDO]A:208 |
4 |
1 |
182 |
f |
A |
x,y,z |
1_555 |
5 |
2 |
11123 |
32.5 |
0.1 |
0.599 |
0 |
0 |
0 |
0.000 |
| 45 |
48 |
|
[EDO]B:208 |
2 |
1 |
183 |
◊ |
A |
x,y,z |
1_555 |
6 |
2 |
11123 |
32.0 |
0.6 |
0.439 |
0 |
0 |
0 |
0.000 |
| 46 |
49 |
|
[EDO]B:211 |
3 |
1 |
186 |
◊ |
[EDO]A:212 |
x,y,z |
1_555 |
4 |
1 |
185 |
30.6 |
1.6 |
1.000 |
0 |
0 |
0 |
0.000 |
| 47 |
50 |
|
[EDO]A:213 |
3 |
1 |
183 |
f |
C |
x,y,z |
1_555 |
3 |
2 |
11098 |
30.5 |
0.1 |
0.456 |
0 |
0 |
0 |
0.000 |
| 48 |
51 |
|
[EDO]B:208 |
3 |
1 |
183 |
f |
C |
x,y,z |
1_555 |
4 |
2 |
11098 |
28.9 |
0.3 |
0.558 |
0 |
0 |
0 |
0.000 |
| 49 |
52 |
|
[EDO]A:212 |
3 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
4 |
2 |
12251 |
27.6 |
1.2 |
0.934 |
0 |
0 |
0 |
0.000 |
| 50 |
53 |
|
[EDO]A:213 |
2 |
1 |
183 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
11123 |
27.4 |
0.8 |
0.914 |
1 |
0 |
0 |
0.000 |
| 51 |
54 |
|
[EDO]A:208 |
2 |
1 |
182 |
◊ |
C |
x,y,z |
1_555 |
3 |
1 |
11098 |
27.2 |
0.9 |
0.928 |
0 |
0 |
0 |
0.000 |
| 52 |
55 |
|
[EDO]A:206 |
3 |
1 |
181 |
f |
B |
x,y,z |
1_555 |
5 |
2 |
12251 |
25.5 |
-0.1 |
0.625 |
0 |
0 |
0 |
0.101 |
| 53 |
56 |
|
[EDO]A:214 |
3 |
1 |
182 |
f |
B |
x,y,z |
1_555 |
3 |
1 |
12251 |
25.2 |
0.7 |
0.920 |
1 |
0 |
0 |
0.000 |
| 54 |
57 |
|
[PGE]C:301 |
1 |
1 |
338 |
f |
[EDO]C:208 |
x,y,z |
1_555 |
2 |
1 |
184 |
25.0 |
0.7 |
0.548 |
1 |
0 |
0 |
0.000 |
| 55 |
58 |
|
[EDO]A:206 |
3 |
1 |
181 |
◊ |
D |
x,y,z |
1_555 |
4 |
2 |
11091 |
22.5 |
-0.1 |
0.645 |
0 |
0 |
0 |
0.000 |
| 56 |
59 |
|
[P6G]B:302 |
1 |
1 |
561 |
◊ |
B |
-x,y-1/2,-z |
2_545 |
1 |
1 |
12251 |
21.8 |
-0.1 |
0.272 |
0 |
0 |
0 |
0.000 |
| 57 |
60 |
|
[EDO]B:208 |
3 |
1 |
183 |
◊ |
[EDO]A:214 |
x,y,z |
1_555 |
3 |
1 |
182 |
20.0 |
1.0 |
1.000 |
0 |
0 |
0 |
0.000 |
| 58 |
61 |
|
[EDO]A:213 |
4 |
1 |
183 |
◊ |
[EDO]A:206 |
x,y,z |
1_555 |
2 |
1 |
181 |
19.3 |
0.8 |
1.000 |
0 |
0 |
0 |
0.000 |
| 59 |
62 |
|
[EDO]A:208 |
2 |
1 |
182 |
◊ |
[EDO]A:206 |
x,y,z |
1_555 |
2 |
1 |
181 |
16.2 |
0.8 |
1.000 |
0 |
0 |
0 |
0.000 |
| 60 |
63 |
|
[EDO]B:208 |
2 |
1 |
183 |
◊ |
[EDO]A:206 |
x,y,z |
1_555 |
2 |
1 |
181 |
12.6 |
0.6 |
1.000 |
0 |
0 |
0 |
0.000 |
| 61 |
64 |
|
A |
2 |
1 |
11123 |
◊ |
B |
x-1,y,z |
1_455 |
1 |
1 |
12251 |
4.2 |
-0.0 |
0.676 |
0 |
0 |
0 |
0.000 |
| 62 |
65 |
|
[EDO]C:208 |
1 |
1 |
184 |
f |
D |
x,y,z |
1_555 |
1 |
1 |
11091 |
0.2 |
0.0 |
0.822 |
0 |
0 |
0 |
0.000 |
| 63 |
66 |
|
[EDO]D:206 |
1 |
1 |
182 |
f |
[EDO]B:208 |
x,y,z |
1_555 |
1 |
1 |
183 |
0.1 |
0.0 |
1.000 |
0 |
0 |
0 |
0.000 |
|