## |
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 |
91 |
27 |
15521 |
◊ |
A |
x,y,z |
1_555 |
86 |
27 |
14402 |
908.1 |
-16.0 |
0.071 |
7 |
4 |
0 |
0.721 |
2 |
|
C |
84 |
27 |
14554 |
◊ |
B |
x,y,z |
1_555 |
91 |
27 |
15521 |
857.3 |
-15.1 |
0.066 |
6 |
3 |
0 |
0.721 |
3 |
|
C |
87 |
25 |
14554 |
◊ |
A |
x,y,z |
1_555 |
73 |
22 |
14402 |
806.3 |
-13.8 |
0.105 |
7 |
4 |
0 |
0.721 |
Average: |
857.2 |
-14.9 |
0.080 |
7 |
4 |
0 |
0.721 |
2 |
4 |
|
B |
58 |
15 |
15521 |
◊ |
B |
-x+1,y,-z+1 |
2_656 |
57 |
15 |
15521 |
497.0 |
-11.1 |
0.062 |
2 |
0 |
0 |
0.130 |
5 |
|
C |
56 |
17 |
14554 |
◊ |
A |
-x+1/2,y-1/2,-z |
4_545 |
52 |
15 |
14402 |
462.6 |
-10.0 |
0.096 |
1 |
0 |
0 |
0.130 |
Average: |
479.8 |
-10.6 |
0.079 |
2 |
0 |
0 |
0.130 |
3 |
6 |
|
[C8E]C:507 |
21 |
1 |
632 |
f |
C |
x,y,z |
1_555 |
46 |
16 |
14554 |
321.4 |
-2.2 |
0.223 |
0 |
0 |
0 |
0.035 |
4 |
7 |
|
[LDA]B:502 |
15 |
1 |
518 |
f |
B |
x,y,z |
1_555 |
53 |
21 |
15521 |
279.6 |
3.3 |
0.516 |
0 |
0 |
0 |
0.000 |
5 |
8 |
|
[C8E]C:508 |
21 |
1 |
641 |
f |
C |
x,y,z |
1_555 |
34 |
14 |
14554 |
277.0 |
-2.0 |
0.183 |
1 |
0 |
0 |
0.038 |
6 |
9 |
|
C |
29 |
10 |
14554 |
◊ |
B |
x,y,z-1 |
1_554 |
31 |
8 |
15521 |
268.5 |
-0.8 |
0.741 |
4 |
0 |
0 |
0.000 |
7 |
10 |
|
[LDA]C:503 |
14 |
1 |
511 |
f |
C |
x,y,z |
1_555 |
54 |
22 |
14554 |
268.0 |
3.3 |
0.572 |
0 |
0 |
0 |
0.000 |
8 |
11 |
|
[LDA]A:502 |
15 |
1 |
513 |
f |
A |
x,y,z |
1_555 |
43 |
19 |
14402 |
244.8 |
1.9 |
0.429 |
0 |
0 |
0 |
0.000 |
9 |
12 |
|
B |
23 |
9 |
15521 |
◊ |
A |
-x+1/2,y-1/2,-z+1 |
4_546 |
30 |
10 |
14402 |
235.2 |
3.2 |
0.938 |
2 |
2 |
0 |
0.000 |
10 |
13 |
|
[LDA]C:501 |
14 |
1 |
527 |
◊ |
C |
x,y,z |
1_555 |
28 |
12 |
14554 |
232.4 |
0.2 |
0.178 |
0 |
0 |
0 |
0.000 |
11 |
14 |
|
[C8E]A:503 |
14 |
1 |
472 |
◊ |
A |
x,y,z |
1_555 |
42 |
13 |
14402 |
213.4 |
3.2 |
0.284 |
0 |
0 |
0 |
0.000 |
12 |
15 |
|
[LDA]A:501 |
13 |
1 |
514 |
◊ |
B |
x,y,z |
1_555 |
34 |
10 |
15521 |
210.6 |
1.4 |
0.373 |
0 |
0 |
0 |
0.000 |
13 |
16 |
|
[C8E]C:508 |
16 |
1 |
641 |
◊ |
B |
x,y,z |
1_555 |
28 |
10 |
15521 |
210.6 |
2.0 |
0.281 |
0 |
0 |
0 |
0.000 |
14 |
17 |
|
[LDA]B:501 |
12 |
1 |
437 |
◊ |
B |
x,y,z |
1_555 |
39 |
10 |
15521 |
191.5 |
1.8 |
0.176 |
0 |
0 |
0 |
0.000 |
15 |
18 |
|
[C8E]C:504 |
14 |
1 |
477 |
◊ |
A |
-x+1/2,y-1/2,-z |
4_545 |
24 |
8 |
14402 |
188.5 |
1.7 |
0.157 |
0 |
0 |
0 |
0.000 |
16 |
19 |
|
[LDA]C:502 |
14 |
1 |
518 |
◊ |
A |
-x+1/2,y-1/2,-z |
4_545 |
23 |
9 |
14402 |
177.9 |
1.1 |
0.265 |
0 |
0 |
0 |
0.000 |
17 |
20 |
|
[C8E]C:507 |
8 |
1 |
632 |
◊ |
A |
x,y,z |
1_555 |
22 |
9 |
14402 |
146.2 |
3.8 |
0.473 |
0 |
0 |
0 |
0.000 |
18 |
21 |
|
[LDA]B:501 |
12 |
1 |
437 |
◊ |
B |
-x+1,y,-z+1 |
2_656 |
19 |
9 |
15521 |
136.9 |
3.3 |
0.166 |
0 |
0 |
0 |
0.000 |
19 |
22 |
|
[LDA]A:501 |
11 |
1 |
514 |
f |
A |
x,y,z |
1_555 |
15 |
7 |
14402 |
136.5 |
0.4 |
0.265 |
0 |
0 |
0 |
0.000 |
20 |
23 |
|
[LDA]C:502 |
13 |
1 |
518 |
f |
C |
x,y,z |
1_555 |
21 |
5 |
14554 |
135.0 |
0.5 |
0.246 |
0 |
0 |
0 |
0.000 |
21 |
24 |
|
[C8E]C:505 |
10 |
1 |
405 |
◊ |
C |
x,y,z |
1_555 |
19 |
5 |
14554 |
134.8 |
3.8 |
0.198 |
0 |
0 |
0 |
0.000 |
22 |
25 |
|
C |
17 |
6 |
14554 |
f |
[C8E]A:503 |
-x+1/2,y-1/2,-z |
4_545 |
14 |
1 |
472 |
133.2 |
0.7 |
0.060 |
0 |
0 |
0 |
0.000 |
23 |
26 |
|
[LDA]C:501 |
10 |
1 |
527 |
f |
A |
-x+1/2,y-1/2,-z |
4_545 |
16 |
6 |
14402 |
133.1 |
-0.6 |
0.127 |
0 |
0 |
0 |
0.013 |
24 |
27 |
|
[C8E]C:506 |
7 |
1 |
299 |
◊ |
C |
x,y,z |
1_555 |
28 |
10 |
14554 |
126.1 |
3.6 |
0.000 |
0 |
0 |
0 |
0.000 |
25 |
28 |
|
[C8E]C:504 |
10 |
1 |
477 |
◊ |
C |
x,y,z |
1_555 |
15 |
4 |
14554 |
106.1 |
1.5 |
0.177 |
0 |
0 |
0 |
0.000 |
26 |
29 |
|
[C8E]C:505 |
9 |
1 |
405 |
f |
[C8E]C:504 |
x,y,z |
1_555 |
10 |
1 |
477 |
65.4 |
2.5 |
0.022 |
0 |
0 |
0 |
0.000 |
27 |
30 |
|
[C8E]C:506 |
5 |
1 |
299 |
◊ |
A |
-x+1/2,y-1/2,-z |
4_545 |
10 |
3 |
14402 |
64.3 |
1.1 |
0.485 |
0 |
0 |
0 |
0.000 |
28 |
31 |
|
[LDA]B:501 |
5 |
1 |
437 |
f |
[LDA]B:501 |
-x+1,y,-z+1 |
2_656 |
5 |
1 |
437 |
51.6 |
1.3 |
0.069 |
0 |
0 |
0 |
0.000 |
29 |
32 |
|
[NA]B:504 |
1 |
1 |
125 |
◊ |
C |
x,y,z |
1_555 |
9 |
3 |
14554 |
51.1 |
-6.3 |
0.000 |
0 |
0 |
0 |
0.244 |
33 |
|
[NA]A:504 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
7 |
2 |
14402 |
50.5 |
-6.4 |
0.000 |
0 |
0 |
0 |
0.244 |
34 |
|
[NA]B:503 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
8 |
3 |
15521 |
49.7 |
-6.1 |
0.000 |
0 |
0 |
0 |
0.244 |
Average: |
50.4 |
-6.3 |
0.000 |
0 |
0 |
0 |
0.244 |
30 |
35 |
|
[NA]B:503 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
9 |
3 |
14402 |
49.2 |
-6.5 |
0.000 |
0 |
0 |
0 |
0.246 |
36 |
|
[NA]B:504 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
9 |
3 |
15521 |
48.8 |
-6.2 |
0.000 |
0 |
0 |
0 |
0.246 |
37 |
|
[NA]A:504 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
9 |
3 |
14554 |
48.6 |
-6.2 |
0.000 |
0 |
0 |
0 |
0.246 |
Average: |
48.9 |
-6.3 |
0.000 |
0 |
0 |
0 |
0.246 |
31 |
38 |
|
[LDA]C:501 |
5 |
1 |
527 |
◊ |
[C8E]A:503 |
-x+1/2,y-1/2,-z |
4_545 |
4 |
1 |
472 |
44.8 |
3.0 |
0.343 |
0 |
0 |
0 |
0.000 |
32 |
39 |
|
[C8E]C:506 |
5 |
1 |
299 |
f |
[C8E]C:504 |
x,y,z |
1_555 |
3 |
1 |
477 |
38.1 |
2.5 |
0.681 |
0 |
0 |
0 |
0.000 |
33 |
40 |
|
[LDA]C:502 |
3 |
1 |
518 |
◊ |
[LDA]C:501 |
x,y,z |
1_555 |
5 |
1 |
527 |
35.6 |
-0.1 |
0.167 |
0 |
0 |
0 |
0.000 |
34 |
41 |
|
[C8E]C:505 |
2 |
1 |
405 |
f |
B |
x,y,z-1 |
1_554 |
6 |
4 |
15521 |
35.5 |
-0.6 |
0.119 |
0 |
0 |
0 |
0.013 |
35 |
42 |
|
[C8E]C:506 |
5 |
1 |
299 |
◊ |
[C8E]A:503 |
-x+1/2,y-1/2,-z |
4_545 |
4 |
1 |
472 |
31.9 |
1.8 |
0.426 |
0 |
0 |
0 |
0.000 |
36 |
43 |
|
[C8E]C:506 |
2 |
1 |
299 |
◊ |
[LDA]C:501 |
x,y,z |
1_555 |
1 |
1 |
527 |
25.6 |
0.2 |
0.516 |
0 |
0 |
0 |
0.000 |
37 |
44 |
|
[C8E]C:504 |
2 |
1 |
477 |
f |
B |
x,y,z-1 |
1_554 |
4 |
3 |
15521 |
20.3 |
-0.2 |
0.338 |
0 |
0 |
0 |
0.004 |
|