## |
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 |
428 |
113 |
24818 |
◊ |
C |
x,y,z |
1_555 |
439 |
116 |
24546 |
4171.4 |
-43.9 |
0.028 |
53 |
31 |
0 |
0.463 |
2 |
|
B |
431 |
113 |
24397 |
◊ |
A |
x,y,z |
1_555 |
432 |
112 |
25108 |
4171.1 |
-41.7 |
0.033 |
56 |
30 |
0 |
0.463 |
Average: |
4171.3 |
-42.8 |
0.031 |
55 |
31 |
0 |
0.463 |
2 |
3 |
|
C |
68 |
21 |
24546 |
◊ |
A |
-y+1,x-y,z+2/3 |
2_655 |
65 |
19 |
25108 |
598.6 |
-1.8 |
0.592 |
7 |
3 |
0 |
0.000 |
4 |
|
C |
57 |
19 |
24546 |
◊ |
A |
-y,x-y,z+2/3 |
2_555 |
50 |
16 |
25108 |
486.2 |
-2.2 |
0.534 |
8 |
2 |
0 |
0.000 |
Average: |
542.4 |
-2.0 |
0.563 |
8 |
3 |
0 |
0.000 |
3 |
5 |
|
D |
52 |
18 |
24818 |
◊ |
B |
x,y,z |
1_555 |
54 |
20 |
24397 |
486.2 |
1.3 |
0.769 |
4 |
1 |
0 |
0.000 |
4 |
6 |
|
A |
45 |
13 |
25108 |
◊ |
C |
-y,x-y,z-1/3 |
2_554 |
43 |
12 |
24546 |
397.8 |
-4.6 |
0.243 |
0 |
0 |
0 |
0.000 |
7 |
|
A |
47 |
13 |
25108 |
◊ |
C |
-y+1,x-y,z-1/3 |
2_654 |
44 |
11 |
24546 |
393.6 |
-4.5 |
0.172 |
1 |
0 |
0 |
0.000 |
Average: |
395.7 |
-4.5 |
0.208 |
1 |
0 |
0 |
0.000 |
5 |
8 |
|
[ATP]D:603 |
29 |
1 |
577 |
f |
D |
x,y,z |
1_555 |
63 |
23 |
24818 |
383.1 |
1.1 |
0.744 |
9 |
0 |
0 |
0.037 |
9 |
|
[ATP]C:603 |
30 |
1 |
579 |
f |
C |
x,y,z |
1_555 |
59 |
23 |
24546 |
380.4 |
1.2 |
0.747 |
9 |
0 |
0 |
0.037 |
10 |
|
[ATP]B:603 |
29 |
1 |
576 |
f |
B |
x,y,z |
1_555 |
63 |
24 |
24397 |
379.7 |
1.0 |
0.724 |
8 |
0 |
0 |
0.037 |
11 |
|
[ATP]A:603 |
30 |
1 |
579 |
f |
A |
x,y,z |
1_555 |
61 |
24 |
25108 |
378.3 |
1.0 |
0.744 |
9 |
0 |
0 |
0.037 |
Average: |
380.4 |
1.1 |
0.740 |
9 |
0 |
0 |
0.037 |
6 |
12 |
|
A |
18 |
5 |
25108 |
◊ |
D |
x,y,z-1 |
1_554 |
19 |
6 |
24818 |
167.2 |
-1.4 |
0.347 |
1 |
0 |
0 |
0.000 |
13 |
|
B |
18 |
6 |
24397 |
◊ |
C |
x,y,z-1 |
1_554 |
18 |
5 |
24546 |
163.3 |
-1.3 |
0.332 |
1 |
0 |
0 |
0.000 |
Average: |
165.3 |
-1.3 |
0.339 |
1 |
0 |
0 |
0.000 |
7 |
14 |
|
B |
15 |
6 |
24397 |
◊ |
D |
-y,x-y-1,z-1/3 |
2_544 |
16 |
6 |
24818 |
150.7 |
-0.0 |
0.619 |
4 |
0 |
0 |
0.000 |
8 |
15 |
|
B |
5 |
2 |
24397 |
◊ |
A |
-y+1,x-y,z-1/3 |
2_654 |
7 |
2 |
25108 |
68.9 |
0.7 |
0.713 |
1 |
2 |
0 |
0.000 |
16 |
|
C |
7 |
2 |
24546 |
◊ |
D |
-y,x-y,z-1/3 |
2_554 |
8 |
3 |
24818 |
62.2 |
-0.5 |
0.341 |
0 |
0 |
0 |
0.000 |
Average: |
65.5 |
0.1 |
0.527 |
1 |
1 |
0 |
0.000 |
9 |
17 |
|
C |
4 |
2 |
24546 |
x |
C |
-y,x-y,z-1/3 |
2_554 |
8 |
4 |
24546 |
51.4 |
1.0 |
0.705 |
0 |
0 |
0 |
0.000 |
18 |
|
A |
6 |
2 |
25108 |
x |
A |
-y+1,x-y,z-1/3 |
2_654 |
6 |
2 |
25108 |
35.9 |
-0.1 |
0.530 |
0 |
0 |
0 |
0.000 |
Average: |
43.6 |
0.5 |
0.618 |
0 |
0 |
0 |
0.000 |
10 |
19 |
|
[CA]B:607 |
1 |
1 |
85 |
f |
B |
x,y,z |
1_555 |
7 |
4 |
24397 |
37.3 |
-5.3 |
0.000 |
0 |
0 |
0 |
0.066 |
20 |
|
[CA]D:607 |
1 |
1 |
85 |
f |
D |
x,y,z |
1_555 |
7 |
4 |
24818 |
36.1 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.066 |
21 |
|
[CA]C:607 |
1 |
1 |
85 |
f |
C |
x,y,z |
1_555 |
7 |
4 |
24546 |
33.9 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.066 |
22 |
|
[CA]A:607 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
6 |
3 |
25108 |
32.9 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.066 |
Average: |
35.1 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.066 |
11 |
23 |
|
[CA]C:608 |
1 |
1 |
85 |
f |
C |
x,y,z |
1_555 |
10 |
5 |
24546 |
36.3 |
-5.6 |
0.000 |
0 |
0 |
0 |
0.072 |
24 |
|
[CA]D:608 |
1 |
1 |
85 |
f |
D |
x,y,z |
1_555 |
9 |
4 |
24818 |
36.1 |
-5.6 |
0.000 |
0 |
0 |
0 |
0.072 |
25 |
|
[CA]B:608 |
1 |
1 |
85 |
f |
B |
x,y,z |
1_555 |
10 |
4 |
24397 |
35.3 |
-5.6 |
0.000 |
0 |
0 |
0 |
0.072 |
26 |
|
[CA]A:608 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
12 |
5 |
25108 |
35.2 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.072 |
Average: |
35.7 |
-5.5 |
0.000 |
0 |
0 |
0 |
0.072 |
12 |
27 |
|
[CA]A:607 |
1 |
1 |
85 |
f |
[ATP]A:603 |
x,y,z |
1_555 |
3 |
1 |
579 |
36.0 |
-7.6 |
0.000 |
0 |
0 |
0 |
0.096 |
28 |
|
[CA]C:607 |
1 |
1 |
85 |
f |
[ATP]C:603 |
x,y,z |
1_555 |
3 |
1 |
579 |
35.9 |
-7.5 |
0.000 |
0 |
0 |
0 |
0.096 |
29 |
|
[CA]D:607 |
1 |
1 |
85 |
f |
[ATP]D:603 |
x,y,z |
1_555 |
5 |
1 |
577 |
34.8 |
-7.4 |
0.000 |
0 |
0 |
0 |
0.096 |
30 |
|
[CA]B:607 |
1 |
1 |
85 |
f |
[ATP]B:603 |
x,y,z |
1_555 |
4 |
1 |
576 |
34.7 |
-7.2 |
0.000 |
0 |
0 |
0 |
0.096 |
Average: |
35.4 |
-7.4 |
0.000 |
0 |
0 |
0 |
0.096 |
13 |
31 |
|
[CA]C:606 |
1 |
1 |
85 |
f |
C |
x,y,z |
1_555 |
7 |
5 |
24546 |
30.4 |
-6.3 |
0.000 |
0 |
0 |
0 |
0.081 |
32 |
|
[CA]B:606 |
1 |
1 |
85 |
f |
B |
x,y,z |
1_555 |
7 |
5 |
24397 |
30.3 |
-6.2 |
0.000 |
0 |
0 |
0 |
0.081 |
33 |
|
[CA]D:606 |
1 |
1 |
85 |
f |
D |
x,y,z |
1_555 |
6 |
4 |
24818 |
30.3 |
-6.1 |
0.000 |
0 |
0 |
0 |
0.081 |
34 |
|
[CA]A:606 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
8 |
5 |
25108 |
29.9 |
-6.2 |
0.000 |
0 |
0 |
0 |
0.081 |
Average: |
30.2 |
-6.2 |
0.000 |
0 |
0 |
0 |
0.081 |
14 |
35 |
|
[CA]C:608 |
1 |
1 |
85 |
f |
[ATP]C:603 |
x,y,z |
1_555 |
4 |
1 |
579 |
30.4 |
-5.7 |
0.000 |
0 |
0 |
0 |
0.073 |
36 |
|
[CA]A:608 |
1 |
1 |
85 |
f |
[ATP]A:603 |
x,y,z |
1_555 |
3 |
1 |
579 |
30.1 |
-5.7 |
0.000 |
0 |
0 |
0 |
0.073 |
37 |
|
[CA]B:608 |
1 |
1 |
85 |
f |
[ATP]B:603 |
x,y,z |
1_555 |
3 |
1 |
576 |
30.0 |
-5.6 |
0.000 |
0 |
0 |
0 |
0.073 |
38 |
|
[CA]D:608 |
1 |
1 |
85 |
f |
[ATP]D:603 |
x,y,z |
1_555 |
2 |
1 |
577 |
29.7 |
-5.6 |
0.000 |
0 |
0 |
0 |
0.073 |
Average: |
30.0 |
-5.6 |
0.000 |
0 |
0 |
0 |
0.073 |
15 |
39 |
|
[CA]D:606 |
1 |
1 |
85 |
f |
[ATP]D:603 |
x,y,z |
1_555 |
4 |
1 |
577 |
29.2 |
-6.3 |
0.000 |
0 |
0 |
0 |
0.080 |
40 |
|
[CA]C:606 |
1 |
1 |
85 |
f |
[ATP]C:603 |
x,y,z |
1_555 |
4 |
1 |
579 |
29.1 |
-6.2 |
0.000 |
0 |
0 |
0 |
0.080 |
41 |
|
[CA]A:606 |
1 |
1 |
85 |
f |
[ATP]A:603 |
x,y,z |
1_555 |
4 |
1 |
579 |
28.8 |
-6.1 |
0.000 |
0 |
0 |
0 |
0.080 |
42 |
|
[CA]B:606 |
1 |
1 |
85 |
f |
[ATP]B:603 |
x,y,z |
1_555 |
5 |
1 |
576 |
28.7 |
-6.2 |
0.000 |
0 |
0 |
0 |
0.080 |
Average: |
28.9 |
-6.2 |
0.000 |
0 |
0 |
0 |
0.080 |
16 |
43 |
|
C |
2 |
1 |
24546 |
◊ |
B |
-y,x-y,z+2/3 |
2_555 |
3 |
2 |
24397 |
27.4 |
0.2 |
0.548 |
0 |
1 |
0 |
0.000 |
44 |
|
D |
3 |
2 |
24818 |
◊ |
A |
-y+1,x-y,z+2/3 |
2_655 |
4 |
1 |
25108 |
26.9 |
-0.5 |
0.360 |
0 |
0 |
0 |
0.000 |
Average: |
27.2 |
-0.1 |
0.454 |
0 |
1 |
0 |
0.000 |
17 |
45 |
|
B |
4 |
2 |
24397 |
◊ |
D |
x,y,z-1 |
1_554 |
4 |
2 |
24818 |
20.2 |
-0.4 |
0.468 |
0 |
0 |
0 |
0.000 |
18 |
46 |
|
[CA]A:608 |
1 |
1 |
85 |
f |
[CA]A:606 |
x,y,z |
1_555 |
1 |
1 |
85 |
10.2 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.020 |
19 |
47 |
|
[CA]B:608 |
1 |
1 |
85 |
f |
[CA]B:606 |
x,y,z |
1_555 |
1 |
1 |
85 |
9.5 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.018 |
20 |
48 |
|
[CA]C:608 |
1 |
1 |
85 |
f |
[CA]C:606 |
x,y,z |
1_555 |
1 |
1 |
85 |
9.3 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.018 |
21 |
49 |
|
[CA]D:608 |
1 |
1 |
85 |
f |
[CA]D:606 |
x,y,z |
1_555 |
1 |
1 |
85 |
9.2 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.018 |
|