## |
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 |
364 |
97 |
21552 |
◊ |
A |
x,y,z |
1_555 |
353 |
96 |
21343 |
3404.1 |
-54.9 |
0.000 |
25 |
4 |
0 |
0.422 |
2 |
|
D |
359 |
98 |
21470 |
◊ |
C |
x,y,z |
1_555 |
353 |
98 |
21506 |
3399.9 |
-53.8 |
0.000 |
24 |
4 |
0 |
0.422 |
Average: |
3402.0 |
-54.4 |
0.000 |
25 |
4 |
0 |
0.422 |
2 |
3 |
|
D |
175 |
49 |
21470 |
◊ |
A |
x,y,z |
1_555 |
174 |
49 |
21343 |
1653.4 |
-12.8 |
0.345 |
32 |
8 |
0 |
0.218 |
4 |
|
C |
172 |
50 |
21506 |
◊ |
B |
x,y,z |
1_555 |
176 |
51 |
21552 |
1651.0 |
-13.0 |
0.329 |
30 |
6 |
0 |
0.218 |
Average: |
1652.2 |
-12.9 |
0.337 |
31 |
7 |
0 |
0.218 |
3 |
5 |
|
A |
63 |
18 |
21343 |
◊ |
D |
x,y-1,z+1 |
1_546 |
61 |
17 |
21470 |
542.4 |
2.1 |
0.886 |
4 |
1 |
0 |
0.000 |
6 |
|
B |
65 |
19 |
21552 |
◊ |
C |
x,y-1,z+1 |
1_546 |
62 |
17 |
21506 |
537.7 |
1.5 |
0.837 |
4 |
2 |
0 |
0.000 |
Average: |
540.1 |
1.8 |
0.862 |
4 |
2 |
0 |
0.000 |
4 |
7 |
|
D |
51 |
17 |
21470 |
◊ |
B |
x,y,z |
1_555 |
51 |
17 |
21552 |
525.6 |
2.5 |
0.900 |
12 |
10 |
0 |
0.021 |
8 |
|
C |
51 |
17 |
21506 |
◊ |
A |
x,y,z |
1_555 |
50 |
17 |
21343 |
522.2 |
2.5 |
0.904 |
12 |
10 |
0 |
0.021 |
Average: |
523.9 |
2.5 |
0.902 |
12 |
10 |
0 |
0.021 |
5 |
9 |
|
[D7K]A:601 |
36 |
1 |
784 |
f |
A |
x,y,z |
1_555 |
68 |
23 |
21343 |
455.8 |
-6.7 |
0.344 |
15 |
0 |
0 |
0.206 |
10 |
|
[D7K]B:602 |
35 |
1 |
784 |
f |
B |
x,y,z |
1_555 |
65 |
23 |
21552 |
454.5 |
-6.0 |
0.393 |
16 |
0 |
0 |
0.206 |
11 |
|
[D7K]C:604 |
34 |
1 |
781 |
f |
C |
x,y,z |
1_555 |
66 |
23 |
21506 |
450.1 |
-6.4 |
0.342 |
16 |
0 |
0 |
0.206 |
12 |
|
[D7K]D:603 |
35 |
1 |
781 |
f |
D |
x,y,z |
1_555 |
65 |
23 |
21470 |
448.8 |
-6.3 |
0.349 |
16 |
0 |
0 |
0.206 |
Average: |
452.3 |
-6.3 |
0.357 |
16 |
0 |
0 |
0.206 |
6 |
13 |
|
C |
24 |
8 |
21506 |
◊ |
A |
x-1,y+1,z |
1_465 |
25 |
6 |
21343 |
206.7 |
-0.8 |
0.553 |
1 |
0 |
0 |
0.000 |
14 |
|
B |
24 |
6 |
21552 |
◊ |
D |
x-1,y,z+1 |
1_456 |
26 |
7 |
21470 |
201.6 |
-0.4 |
0.604 |
1 |
0 |
0 |
0.000 |
Average: |
204.1 |
-0.6 |
0.578 |
1 |
0 |
0 |
0.000 |
7 |
15 |
|
A |
26 |
6 |
21343 |
◊ |
C |
x,y-1,z |
1_545 |
20 |
8 |
21506 |
205.2 |
-0.3 |
0.661 |
4 |
0 |
0 |
0.000 |
16 |
|
D |
11 |
4 |
21470 |
◊ |
B |
x,y,z-1 |
1_554 |
18 |
5 |
21552 |
132.4 |
-0.7 |
0.510 |
2 |
0 |
0 |
0.000 |
Average: |
168.8 |
-0.5 |
0.586 |
3 |
0 |
0 |
0.000 |
8 |
17 |
|
[D7K]B:602 |
19 |
1 |
784 |
◊ |
A |
x,y,z |
1_555 |
25 |
12 |
21343 |
196.7 |
-0.7 |
0.373 |
3 |
0 |
0 |
0.025 |
18 |
|
[D7K]A:601 |
19 |
1 |
784 |
◊ |
B |
x,y,z |
1_555 |
25 |
12 |
21552 |
196.2 |
0.6 |
0.661 |
2 |
0 |
0 |
0.025 |
19 |
|
[D7K]D:603 |
19 |
1 |
781 |
◊ |
C |
x,y,z |
1_555 |
27 |
12 |
21506 |
194.4 |
-0.6 |
0.409 |
3 |
0 |
0 |
0.025 |
20 |
|
[D7K]C:604 |
19 |
1 |
781 |
◊ |
D |
x,y,z |
1_555 |
25 |
12 |
21470 |
194.2 |
-0.6 |
0.391 |
3 |
0 |
0 |
0.025 |
Average: |
195.4 |
-0.3 |
0.459 |
3 |
0 |
0 |
0.025 |
9 |
21 |
|
[PEG]C:716 |
7 |
1 |
256 |
◊ |
C |
x,y,z |
1_555 |
19 |
8 |
21506 |
127.0 |
1.9 |
0.251 |
0 |
0 |
0 |
0.000 |
10 |
22 |
|
C |
12 |
6 |
21506 |
◊ |
D |
x-1,y,z |
1_455 |
14 |
6 |
21470 |
119.7 |
1.5 |
0.868 |
2 |
4 |
0 |
0.000 |
11 |
23 |
|
[PEG]C:715 |
7 |
1 |
259 |
f |
C |
x,y,z |
1_555 |
20 |
5 |
21506 |
118.7 |
2.6 |
0.306 |
1 |
0 |
0 |
0.000 |
12 |
24 |
|
[PEG]D:718 |
7 |
1 |
260 |
f |
D |
x,y,z |
1_555 |
19 |
5 |
21470 |
117.4 |
4.1 |
0.493 |
2 |
0 |
0 |
0.000 |
13 |
25 |
|
A |
12 |
5 |
21343 |
x |
A |
x-1,y,z |
1_455 |
14 |
6 |
21343 |
115.9 |
1.1 |
0.837 |
3 |
2 |
0 |
0.000 |
26 |
|
B |
12 |
4 |
21552 |
x |
B |
x-1,y,z |
1_455 |
12 |
4 |
21552 |
112.3 |
0.6 |
0.764 |
1 |
0 |
0 |
0.000 |
Average: |
114.1 |
0.8 |
0.801 |
2 |
1 |
0 |
0.000 |
14 |
27 |
|
D |
15 |
5 |
21470 |
◊ |
C |
x,y-1,z |
1_545 |
12 |
5 |
21506 |
100.5 |
-0.4 |
0.537 |
1 |
0 |
0 |
0.000 |
28 |
|
D |
8 |
4 |
21470 |
◊ |
C |
x,y,z-1 |
1_554 |
7 |
3 |
21506 |
50.3 |
-0.1 |
0.529 |
0 |
0 |
0 |
0.000 |
Average: |
75.4 |
-0.3 |
0.533 |
1 |
0 |
0 |
0.000 |
15 |
29 |
|
[PO4]A:712 |
5 |
1 |
189 |
f |
A |
x,y,z |
1_555 |
12 |
5 |
21343 |
76.1 |
-4.8 |
0.772 |
1 |
0 |
0 |
0.040 |
16 |
30 |
|
[PO4]C:714 |
5 |
1 |
188 |
f |
B |
x,y,z |
1_555 |
12 |
5 |
21552 |
75.2 |
-4.7 |
0.751 |
1 |
0 |
0 |
0.034 |
17 |
31 |
|
[PO4]C:713 |
5 |
1 |
188 |
f |
C |
x,y,z |
1_555 |
15 |
5 |
21506 |
74.7 |
-4.8 |
0.777 |
1 |
0 |
0 |
0.035 |
18 |
32 |
|
[CL]B:703 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
9 |
7 |
21552 |
71.6 |
-11.7 |
0.000 |
0 |
0 |
0 |
0.180 |
33 |
|
[CL]A:710 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
10 |
8 |
21343 |
70.8 |
-11.6 |
0.000 |
0 |
0 |
0 |
0.180 |
34 |
|
[CL]D:706 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
10 |
8 |
21470 |
70.6 |
-11.7 |
0.000 |
0 |
0 |
0 |
0.180 |
35 |
|
[CL]C:707 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
10 |
8 |
21506 |
70.3 |
-11.8 |
0.000 |
0 |
0 |
0 |
0.180 |
Average: |
70.8 |
-11.7 |
0.000 |
0 |
0 |
0 |
0.180 |
19 |
36 |
|
[CL]B:708 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
11 |
5 |
21552 |
65.4 |
-9.4 |
0.000 |
0 |
0 |
0 |
0.063 |
20 |
37 |
|
[PO4]C:713 |
5 |
1 |
188 |
◊ |
B |
x,y,z |
1_555 |
6 |
3 |
21552 |
63.7 |
-3.4 |
0.854 |
2 |
0 |
0 |
0.029 |
21 |
38 |
|
[PO4]A:712 |
5 |
1 |
189 |
◊ |
D |
x,y,z |
1_555 |
7 |
3 |
21470 |
63.6 |
-4.0 |
0.638 |
2 |
0 |
0 |
0.038 |
22 |
39 |
|
[PO4]C:714 |
5 |
1 |
188 |
◊ |
C |
x,y,z |
1_555 |
6 |
3 |
21506 |
60.6 |
-4.0 |
0.578 |
2 |
0 |
0 |
0.033 |
23 |
40 |
|
[PEG]C:716 |
5 |
1 |
256 |
f |
A |
x-1,y+1,z |
1_465 |
6 |
2 |
21343 |
59.9 |
2.1 |
0.382 |
1 |
0 |
0 |
0.000 |
24 |
41 |
|
[CL]B:702 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
9 |
4 |
21506 |
50.1 |
-6.8 |
0.000 |
0 |
0 |
0 |
0.101 |
42 |
|
[CL]B:701 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
7 |
3 |
21552 |
50.0 |
-6.6 |
0.000 |
0 |
0 |
0 |
0.101 |
43 |
|
[CL]A:704 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
7 |
3 |
21343 |
49.8 |
-6.6 |
0.000 |
0 |
0 |
0 |
0.101 |
44 |
|
[CL]A:705 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
8 |
3 |
21470 |
49.1 |
-6.5 |
0.000 |
0 |
0 |
0 |
0.101 |
Average: |
49.7 |
-6.6 |
0.000 |
0 |
0 |
0 |
0.101 |
25 |
45 |
|
[CL]C:711 |
1 |
1 |
125 |
◊ |
C |
x,y,z |
1_555 |
9 |
4 |
21506 |
47.6 |
-6.1 |
0.000 |
0 |
0 |
0 |
0.073 |
46 |
|
[CL]C:711 |
1 |
1 |
125 |
◊ |
D |
x,y,z |
1_555 |
8 |
4 |
21470 |
47.5 |
-6.1 |
0.000 |
0 |
0 |
0 |
0.073 |
47 |
|
[CL]A:709 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
9 |
4 |
21552 |
47.4 |
-6.1 |
0.000 |
0 |
0 |
0 |
0.073 |
48 |
|
[CL]A:709 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
8 |
4 |
21343 |
47.0 |
-6.0 |
0.000 |
0 |
0 |
0 |
0.073 |
Average: |
47.4 |
-6.1 |
0.000 |
0 |
0 |
0 |
0.073 |
26 |
49 |
|
[CL]A:704 |
1 |
1 |
125 |
◊ |
D |
x,y,z |
1_555 |
8 |
3 |
21470 |
47.3 |
-5.5 |
0.000 |
0 |
0 |
0 |
0.085 |
50 |
|
[CL]A:705 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
8 |
3 |
21343 |
46.9 |
-5.6 |
0.000 |
0 |
0 |
0 |
0.085 |
51 |
|
[CL]B:702 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
8 |
3 |
21552 |
46.0 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.085 |
52 |
|
[CL]B:701 |
1 |
1 |
125 |
◊ |
C |
x,y,z |
1_555 |
8 |
3 |
21506 |
45.8 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.085 |
Average: |
46.5 |
-5.5 |
0.000 |
0 |
0 |
0 |
0.085 |
27 |
53 |
|
[MG]D:608 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
10 |
8 |
21470 |
38.9 |
-6.0 |
0.000 |
0 |
0 |
0 |
0.092 |
54 |
|
[MG]A:605 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
10 |
8 |
21343 |
38.8 |
-6.0 |
0.000 |
0 |
0 |
0 |
0.092 |
55 |
|
[MG]C:607 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
11 |
8 |
21506 |
38.6 |
-6.0 |
0.000 |
0 |
0 |
0 |
0.092 |
56 |
|
[MG]B:606 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
10 |
8 |
21552 |
38.3 |
-5.9 |
0.000 |
0 |
0 |
0 |
0.092 |
Average: |
38.6 |
-6.0 |
0.000 |
0 |
0 |
0 |
0.092 |
28 |
57 |
|
[MG]D:608 |
1 |
1 |
98 |
f |
[D7K]D:603 |
x,y,z |
1_555 |
4 |
1 |
781 |
30.9 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.076 |
58 |
|
[MG]B:606 |
1 |
1 |
98 |
f |
[D7K]B:602 |
x,y,z |
1_555 |
3 |
1 |
784 |
30.9 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.076 |
59 |
|
[MG]C:607 |
1 |
1 |
98 |
f |
[D7K]C:604 |
x,y,z |
1_555 |
4 |
1 |
781 |
30.9 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.076 |
60 |
|
[MG]A:605 |
1 |
1 |
98 |
f |
[D7K]A:601 |
x,y,z |
1_555 |
4 |
1 |
784 |
30.9 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.076 |
Average: |
30.9 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.076 |
29 |
61 |
|
B |
2 |
1 |
21552 |
◊ |
D |
x,y-1,z+1 |
1_546 |
1 |
1 |
21470 |
23.4 |
-0.7 |
0.113 |
0 |
0 |
0 |
0.000 |
62 |
|
A |
2 |
1 |
21343 |
◊ |
C |
x,y-1,z+1 |
1_546 |
2 |
1 |
21506 |
22.4 |
-0.7 |
0.172 |
0 |
0 |
0 |
0.000 |
Average: |
22.9 |
-0.7 |
0.142 |
0 |
0 |
0 |
0.000 |
30 |
63 |
|
[PO4]C:714 |
3 |
1 |
188 |
◊ |
B |
x-1,y,z |
1_455 |
1 |
1 |
21552 |
19.1 |
-0.7 |
0.952 |
0 |
0 |
0 |
0.000 |
31 |
64 |
|
C |
1 |
1 |
21506 |
x |
C |
x-1,y,z |
1_455 |
2 |
1 |
21506 |
13.5 |
0.2 |
0.755 |
0 |
0 |
0 |
0.000 |
65 |
|
D |
1 |
1 |
21470 |
x |
D |
x-1,y,z |
1_455 |
1 |
1 |
21470 |
5.7 |
0.2 |
0.825 |
0 |
0 |
0 |
0.000 |
Average: |
9.6 |
0.2 |
0.790 |
0 |
0 |
0 |
0.000 |
32 |
66 |
|
A |
1 |
1 |
21343 |
◊ |
[PO4]A:712 |
x-1,y,z |
1_455 |
2 |
1 |
189 |
12.9 |
-0.5 |
0.915 |
0 |
0 |
0 |
0.000 |
|