| ## |
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 |
202 |
62 |
22516 |
◊ |
A |
x,y,z |
1_555 |
198 |
58 |
22161 |
1864.2 |
-1.3 |
0.585 |
28 |
12 |
0 |
0.293 |
2 |
|
D |
194 |
59 |
22369 |
◊ |
B |
x,y,z |
1_555 |
193 |
58 |
22305 |
1821.1 |
-3.0 |
0.531 |
26 |
9 |
0 |
0.293 |
| Average: |
1842.7 |
-2.1 |
0.558 |
27 |
11 |
0 |
0.293 |
| 2 |
3 |
|
C |
187 |
46 |
22516 |
◊ |
B |
x,y,z |
1_555 |
190 |
47 |
22305 |
1731.1 |
-10.3 |
0.212 |
22 |
0 |
0 |
0.376 |
4 |
|
D |
186 |
47 |
22369 |
◊ |
A |
x,y,z |
1_555 |
186 |
48 |
22161 |
1720.5 |
-11.0 |
0.180 |
23 |
0 |
0 |
0.376 |
| Average: |
1725.8 |
-10.6 |
0.196 |
23 |
0 |
0 |
0.376 |
| 3 |
5 |
|
[DGT]D:703 |
31 |
1 |
621 |
cf |
D |
x,y,z |
1_555 |
61 |
25 |
22369 |
434.3 |
-0.7 |
0.549 |
13 |
0 |
0 |
0.117 |
6 |
|
[DGT]C:703 |
30 |
1 |
599 |
f |
C |
x,y,z |
1_555 |
61 |
25 |
22516 |
425.5 |
-0.8 |
0.516 |
12 |
0 |
0 |
0.117 |
| Average: |
429.9 |
-0.8 |
0.533 |
13 |
0 |
0 |
0.117 |
| 4 |
7 |
|
B |
46 |
14 |
22305 |
◊ |
A |
x,y,z |
1_555 |
49 |
13 |
22161 |
412.1 |
-1.9 |
0.412 |
2 |
6 |
0 |
0.039 |
8 |
|
D |
46 |
14 |
22369 |
◊ |
C |
x,y,z |
1_555 |
43 |
13 |
22516 |
396.0 |
-0.6 |
0.542 |
3 |
5 |
0 |
0.039 |
| Average: |
404.0 |
-1.3 |
0.477 |
3 |
6 |
0 |
0.039 |
| 5 |
9 |
|
[DGT]B:701 |
30 |
1 |
581 |
f |
B |
x,y,z |
1_555 |
57 |
21 |
22305 |
411.0 |
-1.2 |
0.520 |
11 |
0 |
0 |
0.095 |
10 |
|
[DGT]A:701 |
29 |
1 |
570 |
f |
A |
x,y,z |
1_555 |
51 |
21 |
22161 |
376.9 |
-0.8 |
0.544 |
9 |
0 |
0 |
0.095 |
| Average: |
394.0 |
-1.0 |
0.532 |
10 |
0 |
0 |
0.095 |
| 6 |
11 |
|
D |
45 |
13 |
22369 |
x |
D |
-x+1,y-1/2,-z+1 |
2_646 |
38 |
10 |
22369 |
399.3 |
-2.9 |
0.307 |
3 |
0 |
0 |
0.000 |
| 7 |
12 |
|
B |
43 |
13 |
22305 |
◊ |
A |
x,y,z-1 |
1_554 |
39 |
12 |
22161 |
342.4 |
2.8 |
0.776 |
5 |
6 |
0 |
0.000 |
| 8 |
13 |
|
C |
26 |
10 |
22516 |
◊ |
D |
x-1,y,z-1 |
1_454 |
31 |
11 |
22369 |
252.9 |
3.5 |
0.874 |
3 |
3 |
0 |
0.000 |
| 9 |
14 |
|
[DGT]D:704 |
25 |
1 |
583 |
f |
D |
x,y,z |
1_555 |
31 |
12 |
22369 |
219.6 |
-0.4 |
0.403 |
3 |
0 |
0 |
0.058 |
15 |
|
[DGT]B:704 |
24 |
1 |
578 |
f |
C |
x,y,z |
1_555 |
31 |
12 |
22516 |
219.5 |
0.5 |
0.493 |
4 |
0 |
0 |
0.058 |
16 |
|
[DGT]C:702 |
25 |
1 |
572 |
f |
B |
x,y,z |
1_555 |
31 |
12 |
22305 |
214.7 |
-0.7 |
0.377 |
3 |
0 |
0 |
0.058 |
17 |
|
[DGT]A:703 |
25 |
1 |
577 |
f |
A |
x,y,z |
1_555 |
30 |
12 |
22161 |
208.6 |
0.1 |
0.447 |
3 |
0 |
0 |
0.058 |
| Average: |
215.6 |
-0.1 |
0.430 |
3 |
0 |
0 |
0.058 |
| 10 |
18 |
|
[DGT]B:704 |
21 |
1 |
578 |
◊ |
B |
x,y,z |
1_555 |
23 |
10 |
22305 |
203.8 |
3.3 |
0.738 |
6 |
0 |
0 |
0.000 |
19 |
|
[DGT]C:702 |
21 |
1 |
572 |
◊ |
C |
x,y,z |
1_555 |
24 |
10 |
22516 |
200.7 |
3.4 |
0.722 |
6 |
0 |
0 |
0.000 |
20 |
|
[DGT]A:703 |
20 |
1 |
577 |
◊ |
D |
x,y,z |
1_555 |
24 |
10 |
22369 |
199.5 |
3.3 |
0.732 |
7 |
0 |
0 |
0.000 |
21 |
|
[DGT]D:704 |
20 |
1 |
583 |
◊ |
A |
x,y,z |
1_555 |
24 |
10 |
22161 |
199.4 |
3.3 |
0.709 |
6 |
0 |
0 |
0.000 |
| Average: |
200.8 |
3.3 |
0.725 |
6 |
0 |
0 |
0.000 |
| 11 |
22 |
|
[DGT]D:702 |
25 |
1 |
622 |
f |
B |
x,y,z |
1_555 |
30 |
10 |
22305 |
201.0 |
0.6 |
0.560 |
3 |
0 |
0 |
0.066 |
23 |
|
[DGT]A:704 |
25 |
1 |
616 |
f |
C |
x,y,z |
1_555 |
27 |
10 |
22516 |
198.3 |
-0.9 |
0.401 |
4 |
0 |
0 |
0.066 |
24 |
|
[DGT]A:702 |
25 |
1 |
614 |
f |
A |
x,y,z |
1_555 |
29 |
10 |
22161 |
197.3 |
0.5 |
0.546 |
3 |
0 |
0 |
0.066 |
25 |
|
[DGT]B:705 |
25 |
1 |
620 |
f |
D |
x,y,z |
1_555 |
26 |
10 |
22369 |
195.0 |
-0.2 |
0.491 |
3 |
0 |
0 |
0.066 |
| Average: |
197.9 |
0.0 |
0.500 |
3 |
0 |
0 |
0.066 |
| 12 |
26 |
|
[DGT]B:705 |
22 |
1 |
620 |
◊ |
B |
x,y,z |
1_555 |
21 |
7 |
22305 |
186.3 |
2.4 |
0.655 |
7 |
0 |
0 |
0.051 |
27 |
|
[DGT]A:704 |
22 |
1 |
616 |
◊ |
A |
x,y,z |
1_555 |
20 |
7 |
22161 |
179.4 |
2.1 |
0.662 |
7 |
0 |
0 |
0.051 |
28 |
|
[DGT]D:702 |
22 |
1 |
622 |
◊ |
D |
x,y,z |
1_555 |
19 |
7 |
22369 |
179.0 |
1.0 |
0.611 |
8 |
0 |
0 |
0.051 |
29 |
|
[DGT]A:702 |
21 |
1 |
614 |
◊ |
C |
x,y,z |
1_555 |
20 |
7 |
22516 |
176.6 |
1.1 |
0.628 |
6 |
0 |
0 |
0.051 |
| Average: |
180.3 |
1.7 |
0.639 |
7 |
0 |
0 |
0.051 |
| 13 |
30 |
|
C |
13 |
6 |
22516 |
◊ |
A |
-x,y-1/2,-z+1 |
2_546 |
17 |
5 |
22161 |
118.7 |
-0.6 |
0.446 |
0 |
0 |
0 |
0.000 |
| 14 |
31 |
|
[DGT]D:702 |
14 |
1 |
622 |
◊ |
C |
x,y,z |
1_555 |
16 |
5 |
22516 |
113.6 |
0.9 |
0.610 |
1 |
0 |
0 |
0.000 |
32 |
|
[DGT]B:705 |
14 |
1 |
620 |
◊ |
A |
x,y,z |
1_555 |
15 |
5 |
22161 |
111.1 |
0.9 |
0.607 |
1 |
0 |
0 |
0.000 |
33 |
|
[DGT]A:702 |
14 |
1 |
614 |
◊ |
D |
x,y,z |
1_555 |
17 |
5 |
22369 |
109.2 |
0.7 |
0.585 |
1 |
0 |
0 |
0.000 |
34 |
|
[DGT]A:704 |
14 |
1 |
616 |
◊ |
B |
x,y,z |
1_555 |
15 |
5 |
22305 |
108.8 |
0.7 |
0.585 |
1 |
0 |
0 |
0.000 |
| Average: |
110.7 |
0.8 |
0.597 |
1 |
0 |
0 |
0.000 |
| 15 |
35 |
|
C |
11 |
5 |
22516 |
◊ |
B |
x-1,y,z |
1_455 |
13 |
5 |
22305 |
112.2 |
2.6 |
0.873 |
3 |
1 |
0 |
0.000 |
| 16 |
36 |
|
[DGT]D:704 |
10 |
1 |
583 |
f |
[DGT]B:705 |
x,y,z |
1_555 |
13 |
1 |
620 |
91.8 |
-1.0 |
0.347 |
0 |
0 |
0 |
0.035 |
37 |
|
[DGT]C:702 |
12 |
1 |
572 |
f |
[DGT]D:702 |
x,y,z |
1_555 |
12 |
1 |
622 |
90.2 |
-0.8 |
0.349 |
0 |
0 |
0 |
0.035 |
38 |
|
[DGT]A:703 |
13 |
1 |
577 |
f |
[DGT]A:702 |
x,y,z |
1_555 |
12 |
1 |
614 |
90.1 |
-0.9 |
0.345 |
0 |
0 |
0 |
0.035 |
39 |
|
[DGT]B:704 |
13 |
1 |
578 |
f |
[DGT]A:704 |
x,y,z |
1_555 |
12 |
1 |
616 |
89.6 |
-0.9 |
0.350 |
0 |
0 |
0 |
0.035 |
| Average: |
90.4 |
-0.9 |
0.348 |
0 |
0 |
0 |
0.035 |
| 17 |
40 |
|
A |
5 |
2 |
22161 |
x |
A |
-x,y-1/2,-z+1 |
2_546 |
13 |
3 |
22161 |
84.3 |
-1.8 |
0.070 |
0 |
0 |
0 |
0.000 |
| 18 |
41 |
|
A |
11 |
4 |
22161 |
◊ |
B |
x-1,y,z |
1_455 |
6 |
2 |
22305 |
76.9 |
-0.5 |
0.480 |
0 |
0 |
0 |
0.000 |
| 19 |
42 |
|
C |
5 |
3 |
22516 |
◊ |
B |
-x,y-1/2,-z |
2_545 |
7 |
3 |
22305 |
55.5 |
1.5 |
0.801 |
0 |
0 |
0 |
0.000 |
| 20 |
43 |
|
[MG]B:702 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
4 |
4 |
22305 |
43.2 |
-5.6 |
0.000 |
0 |
0 |
0 |
0.086 |
| 21 |
44 |
|
A |
6 |
2 |
22161 |
◊ |
D |
x-1,y,z |
1_455 |
3 |
1 |
22369 |
38.2 |
1.5 |
0.891 |
1 |
0 |
0 |
0.000 |
| 22 |
45 |
|
[DGT]A:703 |
5 |
1 |
577 |
◊ |
C |
x,y,z |
1_555 |
2 |
1 |
22516 |
34.3 |
1.4 |
0.659 |
1 |
0 |
0 |
0.000 |
46 |
|
[DGT]D:704 |
6 |
1 |
583 |
◊ |
B |
x,y,z |
1_555 |
3 |
2 |
22305 |
33.8 |
1.4 |
0.633 |
1 |
0 |
0 |
0.000 |
47 |
|
[DGT]B:704 |
5 |
1 |
578 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
22161 |
32.5 |
1.4 |
0.654 |
2 |
0 |
0 |
0.000 |
48 |
|
[DGT]C:702 |
5 |
1 |
572 |
◊ |
D |
x,y,z |
1_555 |
2 |
1 |
22369 |
31.7 |
1.4 |
0.626 |
1 |
0 |
0 |
0.000 |
| Average: |
33.1 |
1.4 |
0.643 |
1 |
0 |
0 |
0.000 |
| 23 |
49 |
|
[MG]B:702 |
1 |
1 |
98 |
f |
[DGT]B:701 |
x,y,z |
1_555 |
7 |
1 |
581 |
32.2 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.057 |
| 24 |
50 |
|
[MG]D:701 |
1 |
1 |
98 |
f |
[DGT]A:703 |
x,y,z |
1_555 |
5 |
1 |
577 |
32.1 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.172 |
51 |
|
[MG]B:703 |
1 |
1 |
98 |
f |
[DGT]B:704 |
x,y,z |
1_555 |
5 |
1 |
578 |
31.8 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.172 |
52 |
|
[MG]C:701 |
1 |
1 |
98 |
f |
[DGT]C:702 |
x,y,z |
1_555 |
5 |
1 |
572 |
31.7 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.172 |
53 |
|
[MG]A:705 |
1 |
1 |
98 |
f |
[DGT]D:704 |
x,y,z |
1_555 |
5 |
1 |
583 |
31.2 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.172 |
| Average: |
31.7 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.172 |
| 25 |
54 |
|
[MG]C:701 |
1 |
1 |
98 |
f |
[DGT]D:702 |
x,y,z |
1_555 |
2 |
1 |
622 |
27.5 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.135 |
55 |
|
[MG]D:701 |
1 |
1 |
98 |
f |
[DGT]A:702 |
x,y,z |
1_555 |
4 |
1 |
614 |
27.4 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.135 |
56 |
|
[MG]A:705 |
1 |
1 |
98 |
f |
[DGT]B:705 |
x,y,z |
1_555 |
4 |
1 |
620 |
26.9 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.135 |
57 |
|
[MG]B:703 |
1 |
1 |
98 |
f |
[DGT]A:704 |
x,y,z |
1_555 |
4 |
1 |
616 |
26.6 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.135 |
| Average: |
27.1 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.135 |
| 26 |
58 |
|
[MG]B:703 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
22305 |
19.4 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.030 |
59 |
|
[MG]D:701 |
1 |
1 |
98 |
◊ |
D |
x,y,z |
1_555 |
3 |
1 |
22369 |
19.1 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.030 |
60 |
|
[MG]C:701 |
1 |
1 |
98 |
◊ |
C |
x,y,z |
1_555 |
3 |
1 |
22516 |
17.7 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.030 |
61 |
|
[MG]A:705 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
22161 |
17.5 |
-0.7 |
0.000 |
0 |
0 |
0 |
0.030 |
| Average: |
18.4 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.030 |
| 27 |
62 |
|
[MG]A:705 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
22305 |
12.7 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.020 |
63 |
|
[MG]C:701 |
1 |
1 |
98 |
◊ |
D |
x,y,z |
1_555 |
2 |
1 |
22369 |
12.1 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.020 |
64 |
|
[MG]D:701 |
1 |
1 |
98 |
◊ |
C |
x,y,z |
1_555 |
2 |
1 |
22516 |
11.5 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.020 |
65 |
|
[MG]B:703 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
22161 |
11.2 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.020 |
| Average: |
11.9 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.020 |
| 28 |
66 |
|
C |
1 |
1 |
22516 |
◊ |
A |
x,y,z-1 |
1_554 |
1 |
1 |
22161 |
12.6 |
0.9 |
0.946 |
0 |
0 |
0 |
0.000 |
| 29 |
67 |
|
[MG]A:705 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
1 |
1 |
22369 |
2.8 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.007 |
68 |
|
[MG]B:703 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
1 |
1 |
22516 |
2.1 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.007 |
69 |
|
[MG]C:701 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
1 |
1 |
22305 |
1.8 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.007 |
70 |
|
[MG]D:701 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
1 |
1 |
22161 |
0.7 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.007 |
| Average: |
1.9 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.007 |
|