## |
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 |
315 |
80 |
16335 |
◊ |
A |
x,y,z |
1_555 |
313 |
79 |
16490 |
2962.1 |
-21.3 |
0.257 |
53 |
10 |
0 |
1.000 |
2 |
|
D |
316 |
81 |
16662 |
◊ |
C |
x,y,z |
1_555 |
319 |
80 |
16316 |
2933.4 |
-21.2 |
0.253 |
52 |
10 |
0 |
1.000 |
Average: |
2947.8 |
-21.3 |
0.255 |
53 |
10 |
0 |
1.000 |
2 |
3 |
|
B |
71 |
21 |
16335 |
◊ |
D |
-x,y-1/2,-z |
2_545 |
80 |
25 |
16662 |
714.5 |
-1.8 |
0.604 |
10 |
1 |
0 |
0.000 |
3 |
4 |
|
D |
73 |
18 |
16662 |
◊ |
A |
x,y,z |
1_555 |
75 |
18 |
16490 |
656.7 |
-10.2 |
0.076 |
5 |
0 |
0 |
0.289 |
5 |
|
C |
71 |
18 |
16316 |
◊ |
B |
x,y,z |
1_555 |
72 |
18 |
16335 |
642.5 |
-9.9 |
0.077 |
4 |
0 |
0 |
0.289 |
Average: |
649.6 |
-10.0 |
0.076 |
5 |
0 |
0 |
0.289 |
4 |
6 |
|
[COA]C:1402 |
40 |
1 |
987 |
◊ |
C |
x,y,z |
1_555 |
64 |
28 |
16316 |
572.7 |
3.7 |
0.340 |
3 |
0 |
0 |
0.000 |
7 |
|
[COA]A:1402 |
39 |
1 |
980 |
◊ |
A |
x,y,z |
1_555 |
65 |
29 |
16490 |
565.1 |
3.6 |
0.359 |
3 |
0 |
0 |
0.000 |
8 |
|
[COA]D:1400 |
39 |
1 |
972 |
◊ |
D |
x,y,z |
1_555 |
63 |
29 |
16662 |
563.1 |
3.8 |
0.337 |
3 |
0 |
0 |
0.000 |
9 |
|
[COA]B:1401 |
40 |
1 |
980 |
◊ |
B |
x,y,z |
1_555 |
62 |
28 |
16335 |
562.4 |
3.7 |
0.351 |
4 |
0 |
0 |
0.000 |
Average: |
565.8 |
3.7 |
0.347 |
3 |
0 |
0 |
0.000 |
5 |
10 |
|
C |
23 |
8 |
16316 |
◊ |
A |
x,y,z |
1_555 |
23 |
8 |
16490 |
220.8 |
-1.5 |
0.445 |
4 |
0 |
0 |
0.080 |
11 |
|
D |
22 |
8 |
16662 |
◊ |
B |
x,y,z |
1_555 |
22 |
8 |
16335 |
218.4 |
-1.6 |
0.423 |
4 |
0 |
0 |
0.080 |
Average: |
219.6 |
-1.6 |
0.434 |
4 |
0 |
0 |
0.080 |
6 |
12 |
|
A |
17 |
4 |
16490 |
x |
A |
x-1,y,z |
1_455 |
26 |
10 |
16490 |
186.3 |
-2.5 |
0.296 |
2 |
0 |
0 |
0.000 |
13 |
|
C |
26 |
9 |
16316 |
x |
C |
x-1,y,z |
1_455 |
17 |
4 |
16316 |
185.8 |
-2.6 |
0.282 |
2 |
0 |
0 |
0.000 |
Average: |
186.0 |
-2.5 |
0.289 |
2 |
0 |
0 |
0.000 |
7 |
14 |
|
B |
11 |
4 |
16335 |
◊ |
A |
x,y,z-1 |
1_554 |
16 |
5 |
16490 |
127.7 |
0.4 |
0.694 |
2 |
1 |
0 |
0.000 |
8 |
15 |
|
[EDO]A:1400 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
23 |
8 |
16490 |
116.1 |
3.4 |
0.448 |
4 |
0 |
0 |
0.000 |
9 |
16 |
|
[EDO]C:1401 |
4 |
1 |
184 |
◊ |
C |
x,y,z |
1_555 |
23 |
8 |
16316 |
115.6 |
3.4 |
0.456 |
4 |
0 |
0 |
0.000 |
10 |
17 |
|
[EDO]D:1399 |
4 |
1 |
184 |
f |
D |
x,y,z |
1_555 |
21 |
8 |
16662 |
114.7 |
3.4 |
0.452 |
4 |
0 |
0 |
0.000 |
11 |
18 |
|
[EDO]B:1399 |
4 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
21 |
8 |
16335 |
114.5 |
3.4 |
0.458 |
4 |
0 |
0 |
0.000 |
12 |
19 |
|
[EDO]C:1400 |
4 |
1 |
184 |
◊ |
C |
x,y,z |
1_555 |
16 |
8 |
16316 |
107.7 |
3.8 |
0.664 |
5 |
0 |
0 |
0.000 |
13 |
20 |
|
[EDO]D:1397 |
4 |
1 |
184 |
◊ |
D |
x,y,z |
1_555 |
19 |
7 |
16662 |
103.5 |
3.2 |
0.627 |
2 |
0 |
0 |
0.000 |
21 |
|
[EDO]A:1398 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
17 |
6 |
16490 |
101.7 |
3.2 |
0.442 |
2 |
0 |
0 |
0.000 |
Average: |
102.6 |
3.2 |
0.534 |
2 |
0 |
0 |
0.000 |
14 |
22 |
|
[EDO]B:1400 |
4 |
1 |
183 |
◊ |
B |
x,y,z |
1_555 |
17 |
6 |
16335 |
101.4 |
3.1 |
0.453 |
2 |
0 |
0 |
0.000 |
15 |
23 |
|
[EDO]C:1397 |
4 |
1 |
184 |
◊ |
C |
x,y,z |
1_555 |
17 |
6 |
16316 |
100.1 |
3.0 |
0.608 |
3 |
0 |
0 |
0.000 |
16 |
24 |
|
A |
7 |
2 |
16490 |
◊ |
C |
-x+1,y-1/2,-z+1 |
2_646 |
12 |
6 |
16316 |
96.9 |
2.1 |
0.898 |
3 |
2 |
0 |
0.000 |
17 |
25 |
|
[EDO]A:1401 |
4 |
1 |
182 |
f |
A |
x,y,z |
1_555 |
16 |
5 |
16490 |
89.2 |
1.7 |
0.237 |
2 |
0 |
0 |
0.000 |
18 |
26 |
|
[EDO]D:1398 |
4 |
1 |
185 |
◊ |
C |
x,y,z |
1_555 |
15 |
4 |
16316 |
82.4 |
2.9 |
0.486 |
0 |
0 |
0 |
0.000 |
27 |
|
[EDO]B:1398 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
15 |
4 |
16490 |
80.9 |
2.9 |
0.478 |
0 |
0 |
0 |
0.000 |
Average: |
81.7 |
2.9 |
0.482 |
0 |
0 |
0 |
0.000 |
19 |
28 |
|
[EDO]C:1399 |
4 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
14 |
4 |
16316 |
80.1 |
1.3 |
0.712 |
1 |
0 |
0 |
0.000 |
20 |
29 |
|
[EDO]C:1399 |
4 |
1 |
185 |
◊ |
D |
x,y,z |
1_555 |
18 |
5 |
16662 |
78.4 |
2.6 |
0.471 |
0 |
0 |
0 |
0.000 |
21 |
30 |
|
[EDO]A:1397 |
4 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
15 |
4 |
16335 |
77.9 |
2.9 |
0.477 |
0 |
0 |
0 |
0.000 |
22 |
31 |
|
[EDO]D:1398 |
4 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
11 |
4 |
16662 |
73.9 |
1.2 |
0.739 |
1 |
0 |
0 |
0.000 |
32 |
|
[EDO]B:1398 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
11 |
4 |
16335 |
72.9 |
1.2 |
0.752 |
1 |
0 |
0 |
0.000 |
Average: |
73.4 |
1.2 |
0.745 |
1 |
0 |
0 |
0.000 |
23 |
33 |
|
[EDO]A:1397 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
13 |
4 |
16490 |
73.0 |
1.3 |
0.728 |
1 |
0 |
0 |
0.000 |
24 |
34 |
|
[EDO]C:1398 |
4 |
1 |
181 |
f |
C |
x,y,z |
1_555 |
4 |
2 |
16316 |
60.3 |
1.0 |
0.595 |
2 |
0 |
0 |
0.000 |
25 |
35 |
|
[EDO]A:1399 |
4 |
1 |
182 |
f |
A |
x,y,z |
1_555 |
4 |
2 |
16490 |
57.1 |
0.8 |
0.650 |
2 |
0 |
0 |
0.002 |
26 |
36 |
|
C |
7 |
4 |
16316 |
◊ |
[EDO]C:1398 |
x-1,y,z |
1_455 |
3 |
1 |
181 |
55.9 |
2.0 |
0.264 |
0 |
0 |
0 |
0.000 |
27 |
37 |
|
[EDO]A:1399 |
3 |
1 |
182 |
◊ |
A |
x-1,y,z |
1_455 |
7 |
4 |
16490 |
55.9 |
2.0 |
0.271 |
0 |
0 |
0 |
0.000 |
28 |
38 |
|
D |
6 |
4 |
16662 |
◊ |
B |
x-1,y,z |
1_455 |
7 |
4 |
16335 |
46.2 |
0.9 |
0.809 |
0 |
0 |
0 |
0.000 |
29 |
39 |
|
[COA]A:1402 |
7 |
1 |
980 |
f |
D |
x,y,z |
1_555 |
3 |
1 |
16662 |
39.6 |
-0.4 |
0.208 |
0 |
0 |
0 |
0.027 |
40 |
|
[COA]C:1402 |
7 |
1 |
987 |
f |
B |
x,y,z |
1_555 |
3 |
1 |
16335 |
38.9 |
-0.4 |
0.199 |
0 |
0 |
0 |
0.027 |
41 |
|
[COA]B:1401 |
7 |
1 |
980 |
f |
C |
x,y,z |
1_555 |
3 |
1 |
16316 |
38.6 |
-0.5 |
0.210 |
0 |
0 |
0 |
0.027 |
42 |
|
[COA]D:1400 |
7 |
1 |
972 |
f |
A |
x,y,z |
1_555 |
3 |
1 |
16490 |
35.1 |
-0.4 |
0.235 |
0 |
0 |
0 |
0.027 |
Average: |
38.1 |
-0.4 |
0.213 |
0 |
0 |
0 |
0.027 |
30 |
43 |
|
[EDO]C:1397 |
2 |
1 |
184 |
f |
D |
x,y,z |
1_555 |
5 |
2 |
16662 |
37.0 |
0.9 |
0.841 |
1 |
0 |
0 |
0.000 |
31 |
44 |
|
[EDO]B:1400 |
2 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
5 |
2 |
16490 |
34.8 |
0.8 |
0.811 |
1 |
0 |
0 |
0.000 |
32 |
45 |
|
D |
7 |
3 |
16662 |
x |
D |
x-1,y,z |
1_455 |
3 |
2 |
16662 |
31.0 |
0.9 |
0.766 |
0 |
0 |
0 |
0.000 |
46 |
|
B |
3 |
2 |
16335 |
x |
B |
x-1,y,z |
1_455 |
7 |
3 |
16335 |
25.6 |
0.8 |
0.795 |
0 |
0 |
0 |
0.000 |
Average: |
28.3 |
0.8 |
0.780 |
0 |
0 |
0 |
0.000 |
33 |
47 |
|
[EDO]A:1398 |
3 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
5 |
2 |
16335 |
30.8 |
0.7 |
0.827 |
1 |
0 |
0 |
0.000 |
48 |
|
[EDO]D:1397 |
3 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
4 |
2 |
16316 |
30.1 |
0.6 |
0.823 |
1 |
0 |
0 |
0.000 |
Average: |
30.5 |
0.6 |
0.825 |
1 |
0 |
0 |
0.000 |
34 |
49 |
|
A |
2 |
2 |
16490 |
f |
[EDO]C:1400 |
-x+1,y-1/2,-z+1 |
2_646 |
1 |
1 |
184 |
7.6 |
0.2 |
0.887 |
0 |
0 |
0 |
0.000 |
35 |
50 |
|
B |
2 |
1 |
16335 |
◊ |
C |
-x,y-1/2,-z |
2_545 |
2 |
1 |
16316 |
6.1 |
-0.1 |
0.524 |
0 |
0 |
0 |
0.000 |
36 |
51 |
|
A |
2 |
2 |
16490 |
◊ |
C |
-x,y-1/2,-z+1 |
2_546 |
3 |
2 |
16316 |
5.9 |
0.1 |
0.683 |
0 |
0 |
0 |
0.000 |
37 |
52 |
|
[COA]A:1402 |
2 |
1 |
980 |
f |
[EDO]A:1400 |
x,y,z |
1_555 |
2 |
1 |
185 |
5.7 |
0.2 |
0.646 |
0 |
0 |
0 |
0.000 |
38 |
53 |
|
[COA]C:1402 |
2 |
1 |
987 |
f |
[EDO]C:1401 |
x,y,z |
1_555 |
1 |
1 |
184 |
4.4 |
0.1 |
0.639 |
0 |
0 |
0 |
0.000 |
39 |
54 |
|
[COA]B:1401 |
1 |
1 |
980 |
f |
[EDO]B:1399 |
x,y,z |
1_555 |
1 |
1 |
184 |
1.6 |
0.1 |
0.668 |
0 |
0 |
0 |
0.000 |
|