| ## |
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 |
228 |
61 |
16192 |
◊ |
C |
x,y,z |
1_555 |
227 |
63 |
16454 |
2249.3 |
-25.7 |
0.063 |
35 |
4 |
0 |
0.712 |
2 |
|
C |
220 |
59 |
16454 |
◊ |
A |
x,y,z |
1_555 |
221 |
64 |
16544 |
2152.3 |
-28.4 |
0.039 |
31 |
2 |
0 |
0.712 |
3 |
|
B |
215 |
62 |
16136 |
◊ |
A |
x,y,z |
1_555 |
221 |
56 |
16544 |
2151.9 |
-26.1 |
0.062 |
29 |
3 |
0 |
0.712 |
4 |
|
D |
209 |
63 |
16192 |
◊ |
B |
x,y,z |
1_555 |
204 |
53 |
16136 |
2054.6 |
-25.4 |
0.052 |
29 |
4 |
0 |
0.712 |
| Average: |
2152.0 |
-26.4 |
0.054 |
31 |
3 |
0 |
0.712 |
| 2 |
5 |
|
C |
75 |
23 |
16454 |
◊ |
B |
x-1,y-1,z-1 |
1_444 |
70 |
23 |
16136 |
669.4 |
4.2 |
0.866 |
8 |
3 |
0 |
0.000 |
| 3 |
6 |
|
C |
38 |
11 |
16454 |
◊ |
B |
x-1,y,z |
1_455 |
44 |
13 |
16136 |
359.3 |
-1.4 |
0.590 |
2 |
1 |
0 |
0.000 |
| 4 |
7 |
|
[IMP]D:500 |
22 |
1 |
496 |
f |
D |
x,y,z |
1_555 |
48 |
27 |
16192 |
318.3 |
-5.9 |
0.438 |
11 |
0 |
0 |
0.190 |
8 |
|
[IMP]A:501 |
22 |
1 |
498 |
f |
A |
x,y,z |
1_555 |
51 |
27 |
16544 |
317.1 |
-5.7 |
0.445 |
11 |
0 |
0 |
0.190 |
9 |
|
[IMP]B:500 |
22 |
1 |
498 |
f |
B |
x,y,z |
1_555 |
47 |
25 |
16136 |
315.9 |
-6.2 |
0.414 |
11 |
0 |
0 |
0.190 |
10 |
|
[IMP]C:500 |
22 |
1 |
500 |
f |
C |
x,y,z |
1_555 |
48 |
26 |
16454 |
315.1 |
-6.0 |
0.405 |
11 |
0 |
0 |
0.190 |
| Average: |
316.6 |
-6.0 |
0.426 |
11 |
0 |
0 |
0.190 |
| 5 |
11 |
|
C |
37 |
9 |
16454 |
◊ |
A |
x-1,y-1,z |
1_445 |
25 |
9 |
16544 |
290.5 |
-1.4 |
0.552 |
1 |
0 |
0 |
0.000 |
| 6 |
12 |
|
[8KY]C:501 |
25 |
1 |
627 |
f |
C |
x,y,z |
1_555 |
35 |
14 |
16454 |
287.2 |
-2.3 |
0.315 |
5 |
0 |
0 |
0.072 |
13 |
|
[8KY]A:502 |
27 |
1 |
624 |
f |
A |
x,y,z |
1_555 |
37 |
14 |
16544 |
280.1 |
-2.7 |
0.289 |
4 |
0 |
0 |
0.072 |
14 |
|
[8KY]B:501 |
26 |
1 |
624 |
f |
D |
x,y,z |
1_555 |
38 |
15 |
16192 |
279.5 |
-2.6 |
0.285 |
3 |
0 |
0 |
0.072 |
15 |
|
[8KY]A:503 |
26 |
1 |
619 |
f |
B |
x,y,z |
1_555 |
39 |
14 |
16136 |
272.5 |
-2.2 |
0.298 |
3 |
0 |
0 |
0.072 |
| Average: |
279.8 |
-2.5 |
0.297 |
4 |
0 |
0 |
0.072 |
| 7 |
16 |
|
D |
30 |
11 |
16192 |
◊ |
A |
x,y-1,z |
1_545 |
32 |
12 |
16544 |
258.8 |
1.0 |
0.688 |
1 |
1 |
0 |
0.000 |
| 8 |
17 |
|
C |
25 |
9 |
16454 |
◊ |
D |
x-1,y,z-1 |
1_454 |
31 |
9 |
16192 |
258.7 |
0.8 |
0.757 |
2 |
3 |
0 |
0.000 |
18 |
|
A |
33 |
9 |
16544 |
◊ |
B |
x-1,y,z-1 |
1_454 |
27 |
10 |
16136 |
253.4 |
0.2 |
0.722 |
2 |
2 |
0 |
0.000 |
| Average: |
256.0 |
0.5 |
0.740 |
2 |
3 |
0 |
0.000 |
| 9 |
19 |
|
A |
26 |
8 |
16544 |
◊ |
D |
x-1,y,z-1 |
1_454 |
24 |
9 |
16192 |
213.8 |
3.7 |
0.931 |
4 |
5 |
0 |
0.000 |
| 10 |
20 |
|
A |
22 |
8 |
16544 |
◊ |
B |
x-1,y,z |
1_455 |
28 |
10 |
16136 |
212.5 |
0.8 |
0.772 |
2 |
0 |
0 |
0.000 |
| 11 |
21 |
|
A |
29 |
10 |
16544 |
◊ |
D |
x,y,z-1 |
1_554 |
20 |
7 |
16192 |
196.8 |
-3.0 |
0.265 |
1 |
0 |
0 |
0.000 |
| 12 |
22 |
|
D |
29 |
9 |
16192 |
◊ |
B |
x-1,y-1,z |
1_445 |
29 |
10 |
16136 |
191.2 |
1.6 |
0.813 |
0 |
0 |
0 |
0.000 |
| 13 |
23 |
|
C |
22 |
7 |
16454 |
◊ |
A |
x,y-1,z |
1_545 |
18 |
5 |
16544 |
187.5 |
2.4 |
0.882 |
1 |
6 |
0 |
0.000 |
| 14 |
24 |
|
[8KY]A:503 |
12 |
1 |
619 |
◊ |
A |
x,y,z |
1_555 |
24 |
7 |
16544 |
152.0 |
-3.9 |
0.359 |
0 |
0 |
0 |
0.051 |
25 |
|
[8KY]B:501 |
11 |
1 |
624 |
◊ |
B |
x,y,z |
1_555 |
23 |
7 |
16136 |
149.8 |
-3.8 |
0.348 |
0 |
0 |
0 |
0.051 |
26 |
|
[8KY]A:502 |
11 |
1 |
624 |
◊ |
C |
x,y,z |
1_555 |
22 |
7 |
16454 |
147.9 |
-4.0 |
0.334 |
0 |
0 |
0 |
0.051 |
| Average: |
149.9 |
-3.9 |
0.347 |
0 |
0 |
0 |
0.051 |
| 15 |
27 |
|
[8KY]C:501 |
12 |
1 |
627 |
◊ |
D |
x,y,z |
1_555 |
23 |
7 |
16192 |
145.0 |
-4.0 |
0.351 |
0 |
0 |
0 |
0.018 |
| 16 |
28 |
|
[8KY]A:502 |
6 |
1 |
624 |
f |
[IMP]A:501 |
x,y,z |
1_555 |
12 |
1 |
498 |
56.1 |
3.3 |
0.737 |
0 |
0 |
0 |
0.000 |
29 |
|
[8KY]C:501 |
6 |
1 |
627 |
f |
[IMP]C:500 |
x,y,z |
1_555 |
12 |
1 |
500 |
55.5 |
3.2 |
0.737 |
0 |
0 |
0 |
0.000 |
30 |
|
[8KY]A:503 |
6 |
1 |
619 |
f |
[IMP]B:500 |
x,y,z |
1_555 |
12 |
1 |
498 |
55.5 |
3.3 |
0.733 |
0 |
0 |
0 |
0.000 |
31 |
|
[8KY]B:501 |
6 |
1 |
624 |
f |
[IMP]D:500 |
x,y,z |
1_555 |
11 |
1 |
496 |
53.0 |
3.1 |
0.738 |
0 |
0 |
0 |
0.000 |
| Average: |
55.0 |
3.2 |
0.736 |
0 |
0 |
0 |
0.000 |
| 17 |
32 |
|
D |
5 |
3 |
16192 |
◊ |
B |
x,y-1,z |
1_545 |
5 |
2 |
16136 |
35.1 |
0.2 |
0.639 |
0 |
0 |
0 |
0.000 |
| 18 |
33 |
|
C |
5 |
1 |
16454 |
◊ |
B |
x-1,y-1,z |
1_445 |
5 |
1 |
16136 |
35.0 |
0.2 |
0.708 |
0 |
0 |
0 |
0.000 |
| 19 |
34 |
|
[IMP]C:500 |
1 |
1 |
500 |
◊ |
D |
x,y,z |
1_555 |
2 |
1 |
16192 |
12.6 |
-0.8 |
0.309 |
0 |
0 |
0 |
0.014 |
35 |
|
[IMP]B:500 |
1 |
1 |
498 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
16544 |
12.2 |
-0.8 |
0.272 |
0 |
0 |
0 |
0.014 |
36 |
|
[IMP]D:500 |
1 |
1 |
496 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
16136 |
12.1 |
-0.8 |
0.325 |
0 |
0 |
0 |
0.014 |
37 |
|
[IMP]A:501 |
1 |
1 |
498 |
◊ |
C |
x,y,z |
1_555 |
2 |
1 |
16454 |
12.1 |
-0.8 |
0.303 |
0 |
0 |
0 |
0.014 |
| Average: |
12.3 |
-0.8 |
0.302 |
0 |
0 |
0 |
0.014 |
|