## |
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 |
214 |
56 |
13323 |
◊ |
C |
x,y,z |
1_555 |
213 |
55 |
13140 |
2057.6 |
-20.6 |
0.393 |
29 |
2 |
0 |
0.566 |
2 |
|
B |
205 |
54 |
13398 |
◊ |
A |
x,y,z |
1_555 |
212 |
55 |
13295 |
2042.9 |
-17.3 |
0.454 |
28 |
2 |
0 |
0.566 |
3 |
|
F |
206 |
53 |
13027 |
◊ |
E |
x,y,z |
1_555 |
211 |
57 |
13200 |
2022.4 |
-19.2 |
0.450 |
25 |
2 |
0 |
0.566 |
Average: |
2041.0 |
-19.1 |
0.432 |
27 |
2 |
0 |
0.566 |
2 |
4 |
|
[D16]B:401 |
32 |
1 |
689 |
f |
B |
x,y,z |
1_555 |
66 |
24 |
13398 |
473.9 |
-3.2 |
0.409 |
1 |
0 |
0 |
0.168 |
5 |
|
[D16]F:401 |
31 |
1 |
688 |
f |
F |
x,y,z |
1_555 |
63 |
20 |
13027 |
420.9 |
-4.8 |
0.324 |
1 |
0 |
0 |
0.168 |
6 |
|
[D16]A:401 |
31 |
1 |
697 |
f |
A |
x,y,z |
1_555 |
59 |
22 |
13295 |
415.3 |
-4.8 |
0.281 |
1 |
0 |
0 |
0.168 |
Average: |
436.7 |
-4.3 |
0.338 |
1 |
0 |
0 |
0.168 |
3 |
7 |
|
[D16]E:401 |
32 |
1 |
683 |
f |
E |
x,y,z |
1_555 |
61 |
23 |
13200 |
455.1 |
-5.1 |
0.287 |
2 |
0 |
0 |
0.180 |
8 |
|
[D16]D:401 |
32 |
1 |
695 |
f |
D |
x,y,z |
1_555 |
63 |
22 |
13323 |
451.3 |
-5.1 |
0.311 |
3 |
0 |
0 |
0.180 |
9 |
|
[D16]C:401 |
32 |
1 |
674 |
f |
C |
x,y,z |
1_555 |
65 |
23 |
13140 |
443.5 |
-4.2 |
0.394 |
3 |
0 |
0 |
0.180 |
Average: |
450.0 |
-4.8 |
0.331 |
3 |
0 |
0 |
0.180 |
4 |
10 |
|
A |
41 |
11 |
13295 |
◊ |
B |
x-1,y,z |
1_455 |
42 |
11 |
13398 |
431.3 |
-0.1 |
0.749 |
8 |
0 |
0 |
0.000 |
11 |
|
F |
44 |
12 |
13027 |
◊ |
E |
x-1,y,z |
1_455 |
46 |
12 |
13200 |
391.6 |
-0.7 |
0.698 |
11 |
3 |
0 |
0.000 |
Average: |
411.5 |
-0.4 |
0.723 |
10 |
2 |
0 |
0.000 |
5 |
12 |
|
E |
27 |
6 |
13200 |
◊ |
D |
x-1,y-1,z |
1_445 |
29 |
8 |
13323 |
261.7 |
-2.7 |
0.457 |
2 |
1 |
0 |
0.000 |
6 |
13 |
|
E |
28 |
9 |
13200 |
◊ |
D |
x,y,z |
1_555 |
26 |
7 |
13323 |
254.4 |
-2.9 |
0.377 |
1 |
0 |
0 |
0.000 |
7 |
14 |
|
[UFP]D:402 |
20 |
1 |
451 |
f |
D |
x,y,z |
1_555 |
35 |
16 |
13323 |
246.6 |
-2.9 |
0.447 |
11 |
0 |
0 |
0.261 |
15 |
|
[UFP]F:402 |
20 |
1 |
448 |
f |
F |
x,y,z |
1_555 |
34 |
16 |
13027 |
243.9 |
-2.8 |
0.452 |
11 |
0 |
0 |
0.261 |
16 |
|
[UFP]A:402 |
21 |
1 |
453 |
f |
A |
x,y,z |
1_555 |
31 |
15 |
13295 |
241.6 |
-3.0 |
0.404 |
12 |
0 |
0 |
0.261 |
17 |
|
[UFP]B:402 |
20 |
1 |
454 |
f |
B |
x,y,z |
1_555 |
34 |
16 |
13398 |
240.0 |
-1.1 |
0.650 |
10 |
0 |
0 |
0.261 |
18 |
|
[UFP]E:402 |
20 |
1 |
451 |
f |
E |
x,y,z |
1_555 |
34 |
17 |
13200 |
236.3 |
-3.4 |
0.379 |
12 |
0 |
0 |
0.261 |
19 |
|
[UFP]C:402 |
20 |
1 |
449 |
f |
C |
x,y,z |
1_555 |
30 |
15 |
13140 |
232.6 |
-1.2 |
0.655 |
11 |
0 |
0 |
0.261 |
Average: |
240.2 |
-2.4 |
0.498 |
11 |
0 |
0 |
0.261 |
8 |
20 |
|
B |
27 |
6 |
13398 |
◊ |
D |
x,y-1,z |
1_545 |
25 |
7 |
13323 |
241.9 |
-1.6 |
0.523 |
1 |
0 |
0 |
0.000 |
9 |
21 |
|
C |
21 |
7 |
13140 |
◊ |
B |
x,y,z |
1_555 |
21 |
5 |
13398 |
214.0 |
-2.7 |
0.378 |
1 |
0 |
0 |
0.000 |
10 |
22 |
|
B |
24 |
8 |
13398 |
◊ |
C |
x,y-1,z |
1_545 |
23 |
9 |
13140 |
209.4 |
-2.6 |
0.416 |
2 |
0 |
0 |
0.000 |
11 |
23 |
|
C |
23 |
11 |
13140 |
◊ |
A |
x,y,z |
1_555 |
26 |
12 |
13295 |
201.5 |
1.0 |
0.810 |
2 |
0 |
0 |
0.000 |
12 |
24 |
|
A |
21 |
8 |
13295 |
◊ |
F |
x,y,z-1 |
1_554 |
18 |
7 |
13027 |
170.3 |
0.1 |
0.704 |
1 |
0 |
0 |
0.000 |
25 |
|
F |
16 |
6 |
13027 |
◊ |
A |
x-1,y,z+1 |
1_456 |
16 |
5 |
13295 |
125.6 |
-1.5 |
0.447 |
0 |
0 |
0 |
0.000 |
Average: |
148.0 |
-0.7 |
0.576 |
1 |
0 |
0 |
0.000 |
13 |
26 |
|
F |
19 |
7 |
13027 |
◊ |
D |
x-1,y-1,z |
1_445 |
17 |
8 |
13323 |
105.7 |
0.3 |
0.714 |
0 |
0 |
0 |
0.000 |
14 |
27 |
|
[EDO]B:403 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
15 |
8 |
13398 |
98.0 |
2.4 |
0.290 |
1 |
0 |
0 |
0.000 |
15 |
28 |
|
[UFP]E:402 |
14 |
1 |
451 |
f |
[D16]E:401 |
x,y,z |
1_555 |
14 |
1 |
683 |
92.2 |
1.1 |
0.632 |
0 |
0 |
0 |
0.000 |
29 |
|
[UFP]D:402 |
14 |
1 |
451 |
f |
[D16]D:401 |
x,y,z |
1_555 |
14 |
1 |
695 |
92.1 |
1.4 |
0.662 |
0 |
0 |
0 |
0.000 |
30 |
|
[UFP]C:402 |
14 |
1 |
449 |
f |
[D16]C:401 |
x,y,z |
1_555 |
14 |
1 |
674 |
90.7 |
1.0 |
0.604 |
0 |
0 |
0 |
0.000 |
Average: |
91.7 |
1.2 |
0.633 |
0 |
0 |
0 |
0.000 |
16 |
31 |
|
[EDO]C:403 |
4 |
1 |
185 |
◊ |
C |
x,y,z |
1_555 |
15 |
7 |
13140 |
92.2 |
1.6 |
0.253 |
1 |
0 |
0 |
0.000 |
17 |
32 |
|
[UFP]B:402 |
14 |
1 |
454 |
f |
[D16]B:401 |
x,y,z |
1_555 |
14 |
1 |
689 |
91.8 |
1.4 |
0.634 |
0 |
0 |
0 |
0.000 |
33 |
|
[UFP]A:402 |
13 |
1 |
453 |
f |
[D16]A:401 |
x,y,z |
1_555 |
14 |
1 |
697 |
91.6 |
1.6 |
0.664 |
0 |
0 |
0 |
0.000 |
Average: |
91.7 |
1.5 |
0.649 |
0 |
0 |
0 |
0.000 |
18 |
34 |
|
E |
13 |
6 |
13200 |
◊ |
C |
x,y,z |
1_555 |
12 |
5 |
13140 |
90.7 |
-0.2 |
0.692 |
1 |
0 |
0 |
0.000 |
19 |
35 |
|
[UFP]F:402 |
14 |
1 |
448 |
f |
[D16]F:401 |
x,y,z |
1_555 |
14 |
1 |
688 |
90.6 |
1.2 |
0.638 |
0 |
0 |
0 |
0.000 |
20 |
36 |
|
[EDO]A:403 |
4 |
1 |
183 |
◊ |
A |
x,y,z |
1_555 |
19 |
8 |
13295 |
89.0 |
2.6 |
0.485 |
2 |
0 |
0 |
0.000 |
21 |
37 |
|
[UFP]E:402 |
9 |
1 |
451 |
◊ |
F |
x,y,z |
1_555 |
13 |
3 |
13027 |
88.4 |
-2.4 |
0.331 |
4 |
0 |
0 |
0.150 |
38 |
|
[UFP]D:402 |
9 |
1 |
451 |
◊ |
C |
x,y,z |
1_555 |
13 |
3 |
13140 |
88.4 |
-2.3 |
0.345 |
4 |
0 |
0 |
0.150 |
39 |
|
[UFP]C:402 |
8 |
1 |
449 |
◊ |
D |
x,y,z |
1_555 |
13 |
2 |
13323 |
86.7 |
-2.1 |
0.332 |
7 |
0 |
0 |
0.150 |
40 |
|
[UFP]F:402 |
8 |
1 |
448 |
◊ |
E |
x,y,z |
1_555 |
11 |
2 |
13200 |
86.4 |
-2.0 |
0.351 |
3 |
0 |
0 |
0.150 |
41 |
|
[UFP]B:402 |
8 |
1 |
454 |
◊ |
A |
x,y,z |
1_555 |
12 |
2 |
13295 |
86.3 |
-2.3 |
0.325 |
4 |
0 |
0 |
0.150 |
42 |
|
[UFP]A:402 |
9 |
1 |
453 |
◊ |
B |
x,y,z |
1_555 |
14 |
2 |
13398 |
84.5 |
-2.1 |
0.358 |
4 |
0 |
0 |
0.150 |
Average: |
86.8 |
-2.2 |
0.340 |
4 |
0 |
0 |
0.150 |
22 |
43 |
|
[D16]F:401 |
4 |
1 |
688 |
◊ |
A |
x-1,y,z+1 |
1_456 |
10 |
5 |
13295 |
49.8 |
1.1 |
0.700 |
2 |
0 |
0 |
0.000 |
23 |
44 |
|
C |
8 |
3 |
13140 |
◊ |
F |
x,y,z-1 |
1_554 |
5 |
2 |
13027 |
48.7 |
0.3 |
0.762 |
0 |
0 |
0 |
0.000 |
24 |
45 |
|
[D16]A:401 |
3 |
1 |
697 |
◊ |
F |
x,y,z-1 |
1_554 |
10 |
4 |
13027 |
48.6 |
0.5 |
0.696 |
0 |
0 |
0 |
0.000 |
25 |
46 |
|
[EDO]B:403 |
3 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
7 |
4 |
13295 |
42.4 |
0.3 |
0.599 |
0 |
0 |
0 |
0.000 |
26 |
47 |
|
A |
6 |
2 |
13295 |
◊ |
D |
x,y-1,z-1 |
1_544 |
6 |
2 |
13323 |
32.7 |
-0.2 |
0.546 |
0 |
0 |
0 |
0.000 |
27 |
48 |
|
E |
2 |
2 |
13200 |
◊ |
B |
x-1,y,z |
1_455 |
2 |
2 |
13398 |
21.7 |
-0.1 |
0.435 |
0 |
0 |
0 |
0.000 |
28 |
49 |
|
[EDO]A:403 |
1 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
1 |
1 |
13398 |
14.8 |
0.4 |
0.958 |
0 |
0 |
0 |
0.000 |
29 |
50 |
|
[D16]C:401 |
1 |
1 |
674 |
◊ |
D |
x,y,z |
1_555 |
1 |
1 |
13323 |
8.9 |
-0.0 |
0.522 |
0 |
0 |
0 |
0.000 |
51 |
|
[D16]E:401 |
1 |
1 |
683 |
◊ |
F |
x,y,z |
1_555 |
1 |
1 |
13027 |
7.1 |
0.1 |
0.569 |
0 |
0 |
0 |
0.000 |
52 |
|
[D16]D:401 |
1 |
1 |
695 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
13140 |
5.0 |
0.1 |
0.583 |
0 |
0 |
0 |
0.000 |
Average: |
7.0 |
0.1 |
0.558 |
0 |
0 |
0 |
0.000 |
30 |
53 |
|
[D16]F:401 |
1 |
1 |
688 |
◊ |
E |
x,y,z |
1_555 |
1 |
1 |
13200 |
6.8 |
0.1 |
0.564 |
0 |
0 |
0 |
0.000 |
31 |
54 |
|
B |
2 |
1 |
13398 |
f |
[EDO]C:403 |
x,y-1,z |
1_545 |
1 |
1 |
185 |
6.7 |
0.1 |
0.659 |
0 |
0 |
0 |
0.000 |
32 |
55 |
|
[D16]B:401 |
1 |
1 |
689 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
13295 |
6.3 |
0.1 |
0.587 |
0 |
0 |
0 |
0.000 |
56 |
|
[D16]A:401 |
1 |
1 |
697 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
13398 |
4.5 |
0.1 |
0.601 |
0 |
0 |
0 |
0.000 |
Average: |
5.4 |
0.1 |
0.594 |
0 |
0 |
0 |
0.000 |
33 |
57 |
|
[D16]C:401 |
1 |
1 |
674 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
13295 |
4.1 |
-0.0 |
0.435 |
0 |
0 |
0 |
0.000 |
|