## |
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 |
|
C |
219 |
62 |
22538 |
◊ |
A |
x,y,z |
1_555 |
214 |
62 |
22606 |
2052.0 |
-4.3 |
0.498 |
26 |
7 |
0 |
0.224 |
2 |
|
D |
224 |
63 |
22756 |
◊ |
B |
x,y,z |
1_555 |
207 |
56 |
22526 |
1997.6 |
-3.4 |
0.509 |
29 |
6 |
0 |
0.224 |
Average: |
2024.8 |
-3.9 |
0.503 |
28 |
7 |
0 |
0.224 |
2 |
3 |
|
C |
193 |
50 |
22538 |
◊ |
B |
x,y,z |
1_555 |
193 |
49 |
22526 |
1762.4 |
-11.7 |
0.182 |
22 |
0 |
0 |
0.263 |
4 |
|
D |
197 |
50 |
22756 |
◊ |
A |
x,y,z |
1_555 |
190 |
48 |
22606 |
1761.5 |
-9.8 |
0.244 |
23 |
0 |
0 |
0.263 |
Average: |
1761.9 |
-10.7 |
0.213 |
23 |
0 |
0 |
0.263 |
3 |
5 |
|
B |
49 |
13 |
22526 |
◊ |
A |
x,y,z |
1_555 |
49 |
13 |
22606 |
427.5 |
-2.4 |
0.394 |
3 |
6 |
0 |
0.043 |
6 |
|
D |
48 |
15 |
22756 |
◊ |
C |
x,y,z |
1_555 |
50 |
15 |
22538 |
424.0 |
-3.2 |
0.320 |
1 |
6 |
0 |
0.043 |
Average: |
425.7 |
-2.8 |
0.357 |
2 |
6 |
0 |
0.043 |
4 |
7 |
|
[DCP]D:702 |
27 |
1 |
572 |
f |
D |
x,y,z |
1_555 |
58 |
21 |
22756 |
390.9 |
0.7 |
0.662 |
12 |
0 |
0 |
0.124 |
8 |
|
[DCP]B:701 |
27 |
1 |
572 |
f |
B |
x,y,z |
1_555 |
55 |
21 |
22526 |
390.5 |
1.3 |
0.694 |
13 |
0 |
0 |
0.124 |
9 |
|
[DCP]C:704 |
28 |
1 |
574 |
f |
C |
x,y,z |
1_555 |
56 |
21 |
22538 |
388.4 |
1.3 |
0.694 |
13 |
0 |
0 |
0.124 |
10 |
|
[DCP]A:702 |
28 |
1 |
574 |
f |
A |
x,y,z |
1_555 |
56 |
22 |
22606 |
386.9 |
0.6 |
0.669 |
13 |
0 |
0 |
0.124 |
Average: |
389.2 |
1.0 |
0.680 |
13 |
0 |
0 |
0.124 |
5 |
11 |
|
D |
40 |
13 |
22756 |
x |
D |
-x+1,y-1/2,-z+1 |
2_646 |
33 |
8 |
22756 |
369.4 |
-4.3 |
0.127 |
2 |
0 |
0 |
0.000 |
6 |
12 |
|
B |
30 |
9 |
22526 |
◊ |
A |
x,y,z-1 |
1_554 |
30 |
10 |
22606 |
288.7 |
2.1 |
0.693 |
4 |
4 |
0 |
0.000 |
7 |
13 |
|
[DGT]C:703 |
25 |
1 |
583 |
f |
C |
x,y,z |
1_555 |
34 |
13 |
22538 |
223.4 |
-0.0 |
0.466 |
4 |
0 |
0 |
0.056 |
14 |
|
[DGT]C:702 |
25 |
1 |
586 |
f |
B |
x,y,z |
1_555 |
35 |
13 |
22526 |
222.3 |
-0.6 |
0.433 |
4 |
0 |
0 |
0.056 |
15 |
|
[DGT]A:704 |
25 |
1 |
583 |
f |
D |
x,y,z |
1_555 |
37 |
13 |
22756 |
220.4 |
-0.1 |
0.457 |
4 |
0 |
0 |
0.056 |
16 |
|
[DGT]A:701 |
25 |
1 |
583 |
f |
A |
x,y,z |
1_555 |
33 |
13 |
22606 |
218.2 |
-0.2 |
0.483 |
4 |
0 |
0 |
0.056 |
Average: |
221.1 |
-0.2 |
0.460 |
4 |
0 |
0 |
0.056 |
8 |
17 |
|
[DGT]C:703 |
20 |
1 |
583 |
◊ |
B |
x,y,z |
1_555 |
24 |
10 |
22526 |
203.9 |
2.8 |
0.697 |
8 |
0 |
0 |
0.017 |
18 |
|
[DGT]C:702 |
21 |
1 |
586 |
◊ |
C |
x,y,z |
1_555 |
24 |
10 |
22538 |
203.3 |
2.9 |
0.705 |
8 |
0 |
0 |
0.017 |
19 |
|
[DGT]A:704 |
19 |
1 |
583 |
◊ |
A |
x,y,z |
1_555 |
25 |
10 |
22606 |
202.7 |
2.8 |
0.702 |
8 |
0 |
0 |
0.017 |
20 |
|
[DGT]A:701 |
19 |
1 |
583 |
◊ |
D |
x,y,z |
1_555 |
25 |
11 |
22756 |
201.3 |
2.9 |
0.730 |
8 |
0 |
0 |
0.017 |
Average: |
202.8 |
2.9 |
0.709 |
8 |
0 |
0 |
0.017 |
9 |
21 |
|
[DGT]D:701 |
24 |
1 |
616 |
f |
B |
x,y,z |
1_555 |
23 |
10 |
22526 |
190.2 |
-1.7 |
0.275 |
3 |
0 |
0 |
0.083 |
22 |
|
[DGT]B:702 |
24 |
1 |
617 |
f |
D |
x,y,z |
1_555 |
24 |
9 |
22756 |
189.2 |
0.1 |
0.545 |
2 |
0 |
0 |
0.083 |
23 |
|
[DGT]A:703 |
23 |
1 |
614 |
f |
C |
x,y,z |
1_555 |
24 |
9 |
22538 |
188.9 |
-1.9 |
0.261 |
3 |
0 |
0 |
0.083 |
24 |
|
[DGT]C:701 |
24 |
1 |
617 |
f |
A |
x,y,z |
1_555 |
21 |
9 |
22606 |
188.9 |
-1.7 |
0.272 |
4 |
0 |
0 |
0.083 |
Average: |
189.3 |
-1.3 |
0.338 |
3 |
0 |
0 |
0.083 |
10 |
25 |
|
[DGT]A:703 |
21 |
1 |
614 |
◊ |
A |
x,y,z |
1_555 |
21 |
8 |
22606 |
188.1 |
1.8 |
0.650 |
9 |
0 |
0 |
0.054 |
26 |
|
[DGT]C:701 |
21 |
1 |
617 |
◊ |
C |
x,y,z |
1_555 |
21 |
8 |
22538 |
187.4 |
1.9 |
0.669 |
9 |
0 |
0 |
0.054 |
27 |
|
[DGT]B:702 |
21 |
1 |
617 |
◊ |
B |
x,y,z |
1_555 |
21 |
8 |
22526 |
186.2 |
2.0 |
0.690 |
8 |
0 |
0 |
0.054 |
28 |
|
[DGT]D:701 |
20 |
1 |
616 |
◊ |
D |
x,y,z |
1_555 |
21 |
8 |
22756 |
186.0 |
1.5 |
0.663 |
7 |
0 |
0 |
0.054 |
Average: |
186.9 |
1.8 |
0.668 |
8 |
0 |
0 |
0.054 |
11 |
29 |
|
C |
23 |
9 |
22538 |
◊ |
D |
x-1,y,z-1 |
1_454 |
20 |
6 |
22756 |
177.5 |
1.6 |
0.706 |
1 |
0 |
0 |
0.000 |
12 |
30 |
|
C |
16 |
6 |
22538 |
◊ |
A |
-x,y-1/2,-z+1 |
2_546 |
15 |
6 |
22606 |
149.0 |
0.7 |
0.663 |
2 |
3 |
0 |
0.000 |
13 |
31 |
|
C |
16 |
6 |
22538 |
◊ |
B |
x-1,y,z |
1_455 |
22 |
8 |
22526 |
146.0 |
0.4 |
0.646 |
0 |
0 |
0 |
0.000 |
14 |
32 |
|
[DGT]B:702 |
16 |
1 |
617 |
◊ |
A |
x,y,z |
1_555 |
15 |
5 |
22606 |
111.8 |
0.1 |
0.481 |
1 |
0 |
0 |
0.000 |
33 |
|
[DGT]C:701 |
14 |
1 |
617 |
◊ |
D |
x,y,z |
1_555 |
16 |
5 |
22756 |
106.1 |
0.8 |
0.579 |
1 |
0 |
0 |
0.000 |
34 |
|
[DGT]D:701 |
13 |
1 |
616 |
◊ |
C |
x,y,z |
1_555 |
16 |
5 |
22538 |
105.4 |
0.7 |
0.590 |
1 |
0 |
0 |
0.000 |
35 |
|
[DGT]A:703 |
14 |
1 |
614 |
◊ |
B |
x,y,z |
1_555 |
17 |
5 |
22526 |
104.9 |
0.7 |
0.563 |
1 |
0 |
0 |
0.000 |
Average: |
107.1 |
0.6 |
0.553 |
1 |
0 |
0 |
0.001 |
15 |
36 |
|
A |
9 |
5 |
22606 |
x |
A |
-x,y-1/2,-z+1 |
2_546 |
15 |
5 |
22606 |
98.3 |
-0.8 |
0.412 |
0 |
0 |
0 |
0.000 |
16 |
37 |
|
[DGT]D:701 |
12 |
1 |
616 |
f |
[DGT]C:702 |
x,y,z |
1_555 |
13 |
1 |
586 |
90.3 |
-0.9 |
0.375 |
0 |
0 |
0 |
0.026 |
38 |
|
[DGT]C:701 |
12 |
1 |
617 |
f |
[DGT]A:701 |
x,y,z |
1_555 |
11 |
1 |
583 |
89.4 |
-1.0 |
0.365 |
0 |
0 |
0 |
0.026 |
39 |
|
[DGT]A:703 |
11 |
1 |
614 |
f |
[DGT]C:703 |
x,y,z |
1_555 |
11 |
1 |
583 |
89.1 |
-1.0 |
0.355 |
0 |
0 |
0 |
0.026 |
40 |
|
[DGT]B:702 |
12 |
1 |
617 |
f |
[DGT]A:704 |
x,y,z |
1_555 |
12 |
1 |
583 |
88.1 |
-1.0 |
0.360 |
0 |
0 |
0 |
0.026 |
Average: |
89.2 |
-1.0 |
0.363 |
0 |
0 |
0 |
0.026 |
17 |
41 |
|
A |
5 |
1 |
22606 |
◊ |
B |
x-1,y,z |
1_455 |
6 |
2 |
22526 |
62.1 |
-0.4 |
0.437 |
1 |
1 |
0 |
0.000 |
18 |
42 |
|
C |
7 |
2 |
22538 |
◊ |
B |
-x,y-1/2,-z |
2_545 |
6 |
3 |
22526 |
42.8 |
0.8 |
0.759 |
0 |
0 |
0 |
0.000 |
19 |
43 |
|
A |
4 |
1 |
22606 |
◊ |
D |
x-1,y,z |
1_455 |
3 |
1 |
22756 |
42.2 |
0.9 |
0.838 |
0 |
0 |
0 |
0.000 |
20 |
44 |
|
[MG]B:704 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
9 |
6 |
22526 |
42.2 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.107 |
45 |
|
[MG]C:706 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
10 |
6 |
22538 |
41.6 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.107 |
46 |
|
[MG]A:705 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
9 |
6 |
22606 |
41.5 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.107 |
47 |
|
[MG]D:703 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
10 |
6 |
22756 |
40.8 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.107 |
Average: |
41.5 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.107 |
21 |
48 |
|
[MG]C:706 |
1 |
1 |
98 |
f |
[DCP]C:704 |
x,y,z |
1_555 |
5 |
1 |
574 |
39.2 |
-5.5 |
0.000 |
0 |
0 |
0 |
0.144 |
49 |
|
[MG]D:703 |
1 |
1 |
98 |
f |
[DCP]D:702 |
x,y,z |
1_555 |
4 |
1 |
572 |
39.1 |
-5.6 |
0.000 |
0 |
0 |
0 |
0.144 |
50 |
|
[MG]A:705 |
1 |
1 |
98 |
f |
[DCP]A:702 |
x,y,z |
1_555 |
4 |
1 |
574 |
38.7 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.144 |
51 |
|
[MG]B:704 |
1 |
1 |
98 |
f |
[DCP]B:701 |
x,y,z |
1_555 |
5 |
1 |
572 |
38.7 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.144 |
Average: |
38.9 |
-5.5 |
0.000 |
0 |
0 |
0 |
0.144 |
22 |
52 |
|
[DGT]A:704 |
4 |
1 |
583 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
22526 |
34.9 |
1.1 |
0.659 |
2 |
0 |
0 |
0.000 |
53 |
|
[DGT]A:701 |
4 |
1 |
583 |
◊ |
C |
x,y,z |
1_555 |
2 |
1 |
22538 |
34.3 |
1.3 |
0.686 |
2 |
0 |
0 |
0.000 |
54 |
|
[DGT]C:703 |
4 |
1 |
583 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
22606 |
30.3 |
1.4 |
0.662 |
2 |
0 |
0 |
0.000 |
55 |
|
[DGT]C:702 |
5 |
1 |
586 |
◊ |
D |
x,y,z |
1_555 |
3 |
1 |
22756 |
28.9 |
1.1 |
0.623 |
2 |
0 |
0 |
0.000 |
Average: |
32.1 |
1.2 |
0.657 |
2 |
0 |
0 |
0.000 |
23 |
56 |
|
[MG]B:703 |
1 |
1 |
98 |
f |
[DGT]C:703 |
x,y,z |
1_555 |
5 |
1 |
583 |
32.2 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.119 |
57 |
|
[MG]C:705 |
1 |
1 |
98 |
f |
[DGT]A:701 |
x,y,z |
1_555 |
5 |
1 |
583 |
31.5 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.119 |
58 |
|
[MG]A:706 |
1 |
1 |
98 |
f |
[DGT]A:704 |
x,y,z |
1_555 |
5 |
1 |
583 |
31.5 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.119 |
59 |
|
[MG]C:707 |
1 |
1 |
98 |
f |
[DGT]C:702 |
x,y,z |
1_555 |
5 |
1 |
586 |
31.1 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.119 |
Average: |
31.6 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.119 |
24 |
60 |
|
[MG]C:705 |
1 |
1 |
98 |
f |
[DGT]C:701 |
x,y,z |
1_555 |
3 |
1 |
617 |
27.3 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.093 |
61 |
|
[MG]B:703 |
1 |
1 |
98 |
f |
[DGT]A:703 |
x,y,z |
1_555 |
2 |
1 |
614 |
27.3 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.093 |
62 |
|
[MG]A:706 |
1 |
1 |
98 |
f |
[DGT]B:702 |
x,y,z |
1_555 |
4 |
1 |
617 |
27.2 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.093 |
63 |
|
[MG]C:707 |
1 |
1 |
98 |
f |
[DGT]D:701 |
x,y,z |
1_555 |
3 |
1 |
616 |
27.2 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.093 |
Average: |
27.3 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.093 |
25 |
64 |
|
[MG]A:706 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
22526 |
14.8 |
-0.7 |
0.000 |
0 |
0 |
0 |
0.014 |
65 |
|
[MG]C:705 |
1 |
1 |
98 |
◊ |
C |
x,y,z |
1_555 |
2 |
1 |
22538 |
13.6 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.014 |
66 |
|
[MG]C:707 |
1 |
1 |
98 |
◊ |
D |
x,y,z |
1_555 |
2 |
1 |
22756 |
12.2 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.014 |
67 |
|
[MG]B:703 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
22606 |
10.3 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.014 |
Average: |
12.7 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.014 |
26 |
68 |
|
[MG]B:703 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
4 |
1 |
22526 |
14.7 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.014 |
69 |
|
[MG]A:706 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
4 |
1 |
22606 |
14.5 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.014 |
70 |
|
[MG]C:707 |
1 |
1 |
98 |
◊ |
C |
x,y,z |
1_555 |
3 |
1 |
22538 |
13.1 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.014 |
71 |
|
[MG]C:705 |
1 |
1 |
98 |
◊ |
D |
x,y,z |
1_555 |
2 |
1 |
22756 |
12.8 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.014 |
Average: |
13.8 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.014 |
27 |
72 |
|
C |
2 |
1 |
22538 |
◊ |
A |
x,y,z-1 |
1_554 |
2 |
1 |
22606 |
8.3 |
0.2 |
0.722 |
0 |
0 |
0 |
0.000 |
28 |
73 |
|
[MG]C:707 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
2 |
2 |
22526 |
7.6 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.015 |
74 |
|
[MG]C:705 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
2 |
2 |
22606 |
5.2 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.015 |
75 |
|
[MG]B:703 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
2 |
2 |
22538 |
4.5 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.015 |
76 |
|
[MG]A:706 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
2 |
2 |
22756 |
3.8 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.015 |
Average: |
5.3 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.015 |
|