| ## |
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 |
367 |
108 |
20544 |
◊ |
G |
x,y,z |
1_555 |
362 |
107 |
20396 |
3673.5 |
-35.5 |
0.168 |
60 |
19 |
0 |
1.000 |
2 |
|
D |
356 |
105 |
20297 |
◊ |
C |
x,y,z |
1_555 |
357 |
105 |
20321 |
3670.1 |
-34.8 |
0.214 |
58 |
21 |
0 |
1.000 |
3 |
|
B |
361 |
106 |
20134 |
◊ |
A |
x,y,z |
1_555 |
363 |
105 |
20167 |
3654.4 |
-36.5 |
0.169 |
55 |
20 |
0 |
1.000 |
4 |
|
F |
357 |
106 |
20314 |
◊ |
E |
x,y,z |
1_555 |
356 |
105 |
20313 |
3643.8 |
-34.7 |
0.189 |
59 |
24 |
0 |
1.000 |
| Average: |
3660.4 |
-35.4 |
0.185 |
58 |
21 |
0 |
1.000 |
| 2 |
5 |
|
C |
104 |
28 |
20321 |
◊ |
A |
x,y,z |
1_555 |
102 |
28 |
20167 |
954.9 |
-14.0 |
0.120 |
2 |
6 |
0 |
0.979 |
6 |
|
G |
101 |
26 |
20396 |
◊ |
E |
x,y,z |
1_555 |
103 |
27 |
20313 |
936.7 |
-13.3 |
0.163 |
1 |
7 |
0 |
0.979 |
7 |
|
H |
101 |
26 |
20544 |
◊ |
F |
x,y,z |
1_555 |
100 |
26 |
20314 |
935.5 |
-14.2 |
0.099 |
0 |
4 |
0 |
0.979 |
8 |
|
D |
99 |
26 |
20297 |
◊ |
B |
x,y,z |
1_555 |
100 |
26 |
20134 |
932.6 |
-14.3 |
0.128 |
1 |
5 |
0 |
0.979 |
| Average: |
939.9 |
-14.0 |
0.128 |
1 |
6 |
0 |
0.979 |
| 3 |
9 |
|
D |
95 |
31 |
20297 |
◊ |
A |
x,y,z |
1_555 |
90 |
29 |
20167 |
888.2 |
-10.0 |
0.279 |
6 |
4 |
0 |
0.146 |
10 |
|
H |
95 |
31 |
20544 |
◊ |
E |
x,y,z |
1_555 |
90 |
29 |
20313 |
886.1 |
-9.8 |
0.288 |
5 |
4 |
0 |
0.146 |
11 |
|
G |
90 |
29 |
20396 |
◊ |
F |
x,y,z |
1_555 |
91 |
30 |
20314 |
865.8 |
-9.2 |
0.285 |
6 |
4 |
0 |
0.146 |
12 |
|
C |
87 |
29 |
20321 |
◊ |
B |
x,y,z |
1_555 |
91 |
30 |
20134 |
865.7 |
-9.6 |
0.290 |
6 |
4 |
0 |
0.146 |
| Average: |
876.5 |
-9.7 |
0.285 |
6 |
4 |
0 |
0.146 |
| 4 |
13 |
|
F |
64 |
20 |
20314 |
◊ |
A |
x,y,z |
1_555 |
65 |
20 |
20167 |
563.5 |
-3.6 |
0.537 |
7 |
0 |
0 |
0.000 |
14 |
|
E |
58 |
17 |
20313 |
◊ |
B |
x,y,z |
1_555 |
59 |
21 |
20134 |
519.3 |
-4.0 |
0.506 |
5 |
2 |
0 |
0.000 |
| Average: |
541.4 |
-3.8 |
0.522 |
6 |
1 |
0 |
0.000 |
| 5 |
15 |
|
A |
58 |
21 |
20167 |
◊ |
G |
-x+1/2,y-1/2,-z |
4_545 |
52 |
17 |
20396 |
497.9 |
0.9 |
0.841 |
5 |
0 |
0 |
0.000 |
16 |
|
D |
49 |
15 |
20297 |
◊ |
F |
x-1/2,y-1/2,z |
3_445 |
49 |
15 |
20314 |
441.5 |
-1.7 |
0.674 |
3 |
0 |
0 |
0.000 |
17 |
|
B |
48 |
15 |
20134 |
◊ |
H |
x-1/2,y-1/2,z |
3_445 |
51 |
14 |
20544 |
435.8 |
-1.2 |
0.669 |
5 |
2 |
0 |
0.000 |
18 |
|
G |
48 |
17 |
20396 |
◊ |
A |
x-1/2,y+1/2,z |
3_455 |
49 |
17 |
20167 |
422.7 |
2.8 |
0.917 |
6 |
4 |
0 |
0.000 |
| Average: |
449.5 |
0.2 |
0.775 |
5 |
2 |
0 |
0.000 |
| 6 |
19 |
|
E |
51 |
15 |
20313 |
◊ |
C |
x-1/2,y+1/2,z |
3_455 |
59 |
21 |
20321 |
491.3 |
-0.9 |
0.753 |
6 |
1 |
0 |
0.000 |
20 |
|
C |
50 |
16 |
20321 |
◊ |
E |
-x+1/2,y-1/2,-z |
4_545 |
54 |
19 |
20313 |
432.2 |
-1.2 |
0.724 |
5 |
2 |
0 |
0.000 |
| Average: |
461.7 |
-1.1 |
0.738 |
6 |
2 |
0 |
0.000 |
| 7 |
21 |
|
C |
35 |
12 |
20321 |
◊ |
G |
x,y-1,z |
1_545 |
33 |
9 |
20396 |
333.5 |
-3.3 |
0.322 |
4 |
0 |
0 |
0.000 |
| 8 |
22 |
|
B |
30 |
8 |
20134 |
◊ |
H |
-x+1/2,y-1/2,-z+1 |
4_546 |
36 |
11 |
20544 |
258.0 |
1.5 |
0.844 |
4 |
4 |
0 |
0.000 |
| 9 |
23 |
|
[UN1]F:602 |
11 |
1 |
318 |
f |
F |
x,y,z |
1_555 |
36 |
14 |
20314 |
225.1 |
0.6 |
0.506 |
8 |
0 |
0 |
0.382 |
24 |
|
[UN1]H:603 |
11 |
1 |
317 |
f |
H |
x,y,z |
1_555 |
35 |
14 |
20544 |
222.1 |
0.8 |
0.506 |
9 |
0 |
0 |
0.382 |
25 |
|
[UN1]E:602 |
11 |
1 |
319 |
f |
E |
x,y,z |
1_555 |
35 |
13 |
20313 |
220.6 |
0.8 |
0.515 |
7 |
0 |
0 |
0.382 |
26 |
|
[UN1]A:602 |
11 |
1 |
319 |
f |
A |
x,y,z |
1_555 |
34 |
12 |
20167 |
220.3 |
0.9 |
0.491 |
9 |
0 |
0 |
0.382 |
27 |
|
[UN1]D:602 |
11 |
1 |
316 |
f |
D |
x,y,z |
1_555 |
36 |
14 |
20297 |
219.8 |
0.7 |
0.510 |
8 |
0 |
0 |
0.382 |
28 |
|
[UN1]C:602 |
11 |
1 |
317 |
f |
C |
x,y,z |
1_555 |
35 |
14 |
20321 |
219.4 |
0.5 |
0.518 |
8 |
0 |
0 |
0.382 |
29 |
|
[UN1]G:602 |
11 |
1 |
319 |
f |
G |
x,y,z |
1_555 |
34 |
14 |
20396 |
219.2 |
0.6 |
0.516 |
9 |
0 |
0 |
0.382 |
30 |
|
[UN1]B:602 |
11 |
1 |
316 |
f |
B |
x,y,z |
1_555 |
34 |
14 |
20134 |
218.4 |
0.5 |
0.529 |
8 |
0 |
0 |
0.382 |
| Average: |
220.6 |
0.7 |
0.512 |
8 |
0 |
0 |
0.382 |
| 10 |
31 |
|
[PG4]H:601 |
13 |
1 |
407 |
◊ |
H |
x,y,z |
1_555 |
32 |
10 |
20544 |
215.0 |
7.8 |
0.503 |
8 |
0 |
0 |
0.000 |
| 11 |
32 |
|
[PG4]E:601 |
13 |
1 |
406 |
◊ |
E |
x,y,z |
1_555 |
31 |
10 |
20313 |
209.6 |
6.2 |
0.406 |
4 |
0 |
0 |
0.000 |
| 12 |
33 |
|
[PGE]A:601 |
10 |
1 |
337 |
f |
A |
x,y,z |
1_555 |
30 |
10 |
20167 |
185.5 |
6.7 |
0.448 |
2 |
0 |
0 |
0.000 |
| 13 |
34 |
|
[PGE]D:601 |
10 |
1 |
339 |
f |
D |
x,y,z |
1_555 |
29 |
10 |
20297 |
184.5 |
6.0 |
0.371 |
5 |
0 |
0 |
0.000 |
| 14 |
35 |
|
[PGE]G:601 |
10 |
1 |
335 |
◊ |
G |
x,y,z |
1_555 |
27 |
8 |
20396 |
182.2 |
6.4 |
0.459 |
3 |
0 |
0 |
0.000 |
| 15 |
36 |
|
[PGE]B:601 |
10 |
1 |
335 |
◊ |
B |
x,y,z |
1_555 |
29 |
10 |
20134 |
181.0 |
5.8 |
0.363 |
5 |
0 |
0 |
0.000 |
37 |
|
[PGE]F:601 |
10 |
1 |
333 |
◊ |
F |
x,y,z |
1_555 |
26 |
10 |
20314 |
180.0 |
5.8 |
0.382 |
4 |
0 |
0 |
0.000 |
| Average: |
180.5 |
5.8 |
0.372 |
5 |
0 |
0 |
0.000 |
| 16 |
38 |
|
[PGE]C:601 |
10 |
1 |
333 |
◊ |
C |
x,y,z |
1_555 |
29 |
9 |
20321 |
177.3 |
4.7 |
0.292 |
5 |
0 |
0 |
0.000 |
| 17 |
39 |
|
[PGE]H:602 |
10 |
1 |
333 |
◊ |
H |
x,y,z |
1_555 |
25 |
10 |
20544 |
153.5 |
3.0 |
0.194 |
0 |
0 |
0 |
0.000 |
| 18 |
40 |
|
B |
11 |
4 |
20134 |
◊ |
G |
x-1/2,y-1/2,z |
3_445 |
9 |
5 |
20396 |
84.7 |
0.1 |
0.693 |
0 |
0 |
0 |
0.000 |
41 |
|
C |
10 |
5 |
20321 |
◊ |
F |
x-1/2,y-1/2,z |
3_445 |
10 |
4 |
20314 |
83.2 |
0.9 |
0.807 |
2 |
0 |
0 |
0.000 |
42 |
|
B |
4 |
2 |
20134 |
◊ |
G |
-x+1/2,y-1/2,-z |
4_545 |
4 |
3 |
20396 |
26.3 |
-0.2 |
0.576 |
0 |
0 |
0 |
0.000 |
| Average: |
64.7 |
0.2 |
0.692 |
1 |
0 |
0 |
0.000 |
| 19 |
43 |
|
B |
9 |
5 |
20134 |
f |
[PGE]H:602 |
-x+1/2,y-1/2,-z+1 |
4_546 |
4 |
1 |
333 |
40.1 |
1.4 |
0.314 |
0 |
0 |
0 |
0.000 |
| 20 |
44 |
|
D |
3 |
2 |
20297 |
◊ |
F |
-x+1/2,y-1/2,-z+1 |
4_546 |
5 |
3 |
20314 |
27.2 |
-0.2 |
0.454 |
0 |
0 |
0 |
0.000 |
| 21 |
45 |
|
E |
2 |
1 |
20313 |
◊ |
D |
x-1/2,y+1/2,z |
3_455 |
2 |
1 |
20297 |
26.9 |
-0.0 |
0.396 |
0 |
0 |
0 |
0.000 |
| 22 |
46 |
|
[UN1]G:602 |
1 |
1 |
319 |
◊ |
H |
x,y,z |
1_555 |
3 |
1 |
20544 |
12.0 |
0.1 |
0.461 |
0 |
0 |
0 |
0.000 |
47 |
|
[UN1]D:602 |
1 |
1 |
316 |
◊ |
C |
x,y,z |
1_555 |
3 |
1 |
20321 |
11.6 |
0.1 |
0.461 |
0 |
0 |
0 |
0.000 |
48 |
|
[UN1]C:602 |
1 |
1 |
317 |
◊ |
D |
x,y,z |
1_555 |
3 |
1 |
20297 |
11.5 |
0.2 |
0.464 |
0 |
0 |
0 |
0.000 |
49 |
|
[UN1]A:602 |
1 |
1 |
319 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
20134 |
11.1 |
0.1 |
0.464 |
0 |
0 |
0 |
0.000 |
50 |
|
[UN1]E:602 |
1 |
1 |
319 |
◊ |
F |
x,y,z |
1_555 |
3 |
1 |
20314 |
11.0 |
0.1 |
0.461 |
0 |
0 |
0 |
0.000 |
51 |
|
[UN1]B:602 |
1 |
1 |
316 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
20167 |
10.7 |
0.1 |
0.457 |
0 |
0 |
0 |
0.000 |
52 |
|
[UN1]F:602 |
1 |
1 |
318 |
◊ |
E |
x,y,z |
1_555 |
3 |
1 |
20313 |
10.2 |
0.1 |
0.462 |
0 |
0 |
0 |
0.000 |
| Average: |
11.2 |
0.1 |
0.461 |
0 |
0 |
0 |
0.000 |
| 23 |
53 |
|
[UN1]H:603 |
1 |
1 |
317 |
◊ |
G |
x,y,z |
1_555 |
3 |
1 |
20396 |
11.5 |
0.1 |
0.459 |
0 |
0 |
0 |
0.000 |
| 24 |
54 |
|
F |
2 |
1 |
20314 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
20134 |
11.5 |
0.5 |
0.848 |
0 |
0 |
0 |
0.000 |
| 25 |
55 |
|
H |
2 |
2 |
20544 |
◊ |
A |
x-1/2,y+1/2,z |
3_455 |
2 |
2 |
20167 |
7.5 |
0.2 |
0.763 |
0 |
0 |
0 |
0.000 |
| 26 |
56 |
|
E |
1 |
1 |
20313 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
20167 |
6.4 |
0.4 |
0.863 |
0 |
0 |
0 |
0.000 |
| 27 |
57 |
|
B |
1 |
1 |
20134 |
◊ |
G |
-x+1/2,y-1/2,-z+1 |
4_546 |
1 |
1 |
20396 |
6.0 |
0.3 |
0.864 |
0 |
0 |
0 |
0.000 |
| 28 |
58 |
|
[PG4]H:601 |
2 |
1 |
407 |
f |
G |
x,y,z |
1_555 |
2 |
2 |
20396 |
3.7 |
0.1 |
0.321 |
0 |
0 |
0 |
0.000 |
| 29 |
59 |
|
[PGE]C:601 |
1 |
1 |
333 |
f |
D |
x,y,z |
1_555 |
1 |
1 |
20297 |
3.6 |
0.1 |
0.335 |
0 |
0 |
0 |
0.000 |
| 30 |
60 |
|
[PGE]B:601 |
2 |
1 |
335 |
f |
A |
x,y,z |
1_555 |
2 |
2 |
20167 |
3.2 |
0.0 |
0.315 |
0 |
0 |
0 |
0.000 |
61 |
|
[PGE]F:601 |
2 |
1 |
333 |
f |
E |
x,y,z |
1_555 |
2 |
2 |
20313 |
3.1 |
0.1 |
0.321 |
0 |
0 |
0 |
0.000 |
| Average: |
3.2 |
0.1 |
0.318 |
0 |
0 |
0 |
0.000 |
| 31 |
62 |
|
[PGE]G:601 |
1 |
1 |
335 |
f |
H |
x,y,z |
1_555 |
1 |
1 |
20544 |
2.2 |
0.0 |
0.365 |
0 |
0 |
0 |
0.000 |
| 32 |
63 |
|
D |
1 |
1 |
20297 |
◊ |
G |
-x+1/2,y-1/2,-z+1 |
4_546 |
1 |
1 |
20396 |
1.6 |
0.1 |
0.756 |
0 |
0 |
0 |
0.000 |
| 33 |
64 |
|
[PG4]E:601 |
1 |
1 |
406 |
f |
F |
x,y,z |
1_555 |
1 |
1 |
20314 |
1.3 |
0.0 |
0.382 |
0 |
0 |
0 |
0.000 |
|