## |
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 |
221 |
64 |
22344 |
◊ |
A |
x,y,z |
1_555 |
221 |
60 |
22511 |
2090.6 |
-2.4 |
0.575 |
29 |
10 |
0 |
0.345 |
2 |
|
D |
220 |
60 |
22463 |
◊ |
B |
x,y,z |
1_555 |
218 |
60 |
22441 |
2062.3 |
-6.9 |
0.372 |
25 |
7 |
0 |
0.345 |
Average: |
2076.5 |
-4.6 |
0.473 |
27 |
9 |
0 |
0.345 |
2 |
3 |
|
D |
196 |
52 |
22463 |
◊ |
A |
x,y,z |
1_555 |
203 |
53 |
22511 |
1807.7 |
-7.5 |
0.326 |
22 |
1 |
0 |
0.371 |
4 |
|
C |
197 |
52 |
22344 |
◊ |
B |
x,y,z |
1_555 |
198 |
52 |
22441 |
1794.4 |
-9.3 |
0.272 |
24 |
0 |
0 |
0.371 |
Average: |
1801.1 |
-8.4 |
0.299 |
23 |
1 |
0 |
0.371 |
3 |
5 |
|
B |
55 |
18 |
22441 |
◊ |
A |
x,y,z |
1_555 |
57 |
19 |
22511 |
474.8 |
0.4 |
0.622 |
3 |
4 |
0 |
0.022 |
6 |
|
D |
50 |
15 |
22463 |
◊ |
C |
x,y,z |
1_555 |
48 |
16 |
22344 |
436.1 |
0.3 |
0.625 |
4 |
6 |
0 |
0.022 |
Average: |
455.5 |
0.3 |
0.623 |
4 |
5 |
0 |
0.022 |
4 |
7 |
|
D |
44 |
13 |
22463 |
x |
D |
-x+1,y-1/2,-z |
2_645 |
37 |
11 |
22463 |
424.7 |
-3.1 |
0.264 |
6 |
1 |
0 |
0.000 |
5 |
8 |
|
B |
29 |
9 |
22441 |
◊ |
A |
x,y,z-1 |
1_554 |
30 |
8 |
22511 |
270.9 |
0.7 |
0.643 |
1 |
2 |
0 |
0.000 |
6 |
9 |
|
C |
28 |
11 |
22344 |
◊ |
B |
x-1,y,z |
1_455 |
32 |
10 |
22441 |
258.0 |
-1.8 |
0.280 |
1 |
0 |
0 |
0.000 |
7 |
10 |
|
C |
25 |
9 |
22344 |
◊ |
D |
x-1,y,z-1 |
1_454 |
31 |
12 |
22463 |
226.8 |
2.5 |
0.718 |
1 |
2 |
0 |
0.000 |
8 |
11 |
|
[GTP]B:702 |
25 |
1 |
589 |
f |
C |
x,y,z |
1_555 |
36 |
13 |
22344 |
212.0 |
0.0 |
0.603 |
6 |
0 |
0 |
0.091 |
12 |
|
[GTP]C:704 |
26 |
1 |
580 |
f |
B |
x,y,z |
1_555 |
32 |
12 |
22441 |
211.5 |
-0.5 |
0.563 |
4 |
0 |
0 |
0.091 |
13 |
|
[GTP]D:701 |
25 |
1 |
591 |
f |
A |
x,y,z |
1_555 |
33 |
13 |
22511 |
203.7 |
-0.4 |
0.560 |
3 |
0 |
0 |
0.091 |
14 |
|
[GTP]A:703 |
25 |
1 |
586 |
f |
D |
x,y,z |
1_555 |
34 |
12 |
22463 |
200.3 |
-0.5 |
0.546 |
3 |
0 |
0 |
0.091 |
Average: |
206.9 |
-0.4 |
0.568 |
4 |
0 |
0 |
0.091 |
9 |
15 |
|
[GTP]B:702 |
21 |
1 |
589 |
◊ |
B |
x,y,z |
1_555 |
25 |
10 |
22441 |
208.1 |
0.6 |
0.632 |
6 |
0 |
0 |
0.070 |
16 |
|
[GTP]D:701 |
22 |
1 |
591 |
◊ |
D |
x,y,z |
1_555 |
26 |
12 |
22463 |
204.0 |
0.9 |
0.667 |
5 |
0 |
0 |
0.070 |
17 |
|
[GTP]C:704 |
21 |
1 |
580 |
◊ |
C |
x,y,z |
1_555 |
27 |
11 |
22344 |
200.7 |
0.9 |
0.672 |
6 |
0 |
0 |
0.070 |
18 |
|
[GTP]A:703 |
21 |
1 |
586 |
◊ |
A |
x,y,z |
1_555 |
23 |
11 |
22511 |
196.0 |
-0.1 |
0.504 |
4 |
0 |
0 |
0.070 |
Average: |
202.2 |
0.6 |
0.619 |
5 |
0 |
0 |
0.070 |
10 |
19 |
|
[DTP]A:701 |
25 |
1 |
610 |
f |
C |
x,y,z |
1_555 |
26 |
11 |
22344 |
190.1 |
1.1 |
0.561 |
4 |
0 |
0 |
0.045 |
20 |
|
[DTP]D:702 |
23 |
1 |
605 |
f |
B |
x,y,z |
1_555 |
31 |
12 |
22441 |
189.1 |
-0.4 |
0.390 |
3 |
0 |
0 |
0.045 |
21 |
|
[DTP]C:701 |
23 |
1 |
600 |
f |
A |
x,y,z |
1_555 |
26 |
11 |
22511 |
188.0 |
1.4 |
0.594 |
2 |
0 |
0 |
0.045 |
22 |
|
[DTP]B:703 |
23 |
1 |
605 |
f |
D |
x,y,z |
1_555 |
27 |
11 |
22463 |
187.6 |
0.9 |
0.540 |
2 |
0 |
0 |
0.045 |
Average: |
188.7 |
0.7 |
0.521 |
3 |
0 |
0 |
0.045 |
11 |
23 |
|
[DTP]D:702 |
21 |
1 |
605 |
◊ |
D |
x,y,z |
1_555 |
21 |
7 |
22463 |
180.3 |
2.3 |
0.651 |
7 |
0 |
0 |
0.025 |
24 |
|
[DTP]A:701 |
21 |
1 |
610 |
◊ |
A |
x,y,z |
1_555 |
22 |
8 |
22511 |
179.4 |
2.3 |
0.652 |
6 |
0 |
0 |
0.025 |
25 |
|
[DTP]C:701 |
21 |
1 |
600 |
◊ |
C |
x,y,z |
1_555 |
22 |
8 |
22344 |
177.8 |
1.4 |
0.610 |
6 |
0 |
0 |
0.025 |
26 |
|
[DTP]B:703 |
21 |
1 |
605 |
◊ |
B |
x,y,z |
1_555 |
22 |
8 |
22441 |
177.5 |
2.1 |
0.624 |
6 |
0 |
0 |
0.025 |
Average: |
178.8 |
2.0 |
0.634 |
6 |
0 |
0 |
0.025 |
12 |
27 |
|
A |
16 |
5 |
22511 |
◊ |
D |
x-1,y,z |
1_455 |
15 |
6 |
22463 |
122.5 |
0.6 |
0.652 |
0 |
0 |
0 |
0.000 |
13 |
28 |
|
C |
15 |
7 |
22344 |
◊ |
A |
-x,y-1/2,-z |
2_545 |
13 |
7 |
22511 |
117.5 |
1.2 |
0.748 |
3 |
3 |
0 |
0.000 |
14 |
29 |
|
A |
9 |
4 |
22511 |
◊ |
B |
x-1,y,z |
1_455 |
10 |
3 |
22441 |
111.3 |
-0.0 |
0.474 |
0 |
0 |
0 |
0.000 |
15 |
30 |
|
[DTP]B:703 |
13 |
1 |
605 |
◊ |
A |
x,y,z |
1_555 |
15 |
5 |
22511 |
108.7 |
0.2 |
0.441 |
1 |
0 |
0 |
0.000 |
31 |
|
[DTP]D:702 |
14 |
1 |
605 |
◊ |
C |
x,y,z |
1_555 |
17 |
5 |
22344 |
103.5 |
1.0 |
0.574 |
1 |
0 |
0 |
0.000 |
32 |
|
[DTP]A:701 |
13 |
1 |
610 |
◊ |
B |
x,y,z |
1_555 |
18 |
5 |
22441 |
102.7 |
0.5 |
0.504 |
1 |
0 |
0 |
0.000 |
33 |
|
[DTP]C:701 |
14 |
1 |
600 |
◊ |
D |
x,y,z |
1_555 |
17 |
5 |
22463 |
100.8 |
1.0 |
0.583 |
1 |
0 |
0 |
0.000 |
Average: |
103.9 |
0.7 |
0.525 |
1 |
0 |
0 |
0.000 |
16 |
34 |
|
[PO4]D:703 |
5 |
1 |
189 |
f |
D |
x,y,z |
1_555 |
14 |
8 |
22463 |
97.1 |
-4.8 |
0.889 |
6 |
0 |
0 |
0.134 |
17 |
35 |
|
[GTP]D:701 |
10 |
1 |
591 |
f |
[DTP]C:701 |
x,y,z |
1_555 |
13 |
1 |
600 |
95.3 |
-2.1 |
0.317 |
0 |
0 |
0 |
0.085 |
36 |
|
[GTP]B:702 |
12 |
1 |
589 |
f |
[DTP]A:701 |
x,y,z |
1_555 |
13 |
1 |
610 |
95.0 |
-2.3 |
0.310 |
0 |
0 |
0 |
0.085 |
37 |
|
[GTP]A:703 |
10 |
1 |
586 |
f |
[DTP]B:703 |
x,y,z |
1_555 |
14 |
1 |
605 |
91.9 |
-2.1 |
0.304 |
0 |
0 |
0 |
0.085 |
38 |
|
[GTP]C:704 |
10 |
1 |
580 |
f |
[DTP]D:702 |
x,y,z |
1_555 |
11 |
1 |
605 |
90.3 |
-2.3 |
0.280 |
0 |
0 |
0 |
0.085 |
Average: |
93.1 |
-2.2 |
0.303 |
0 |
0 |
0 |
0.085 |
18 |
39 |
|
[NA]A:705 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
12 |
6 |
22511 |
78.0 |
-10.5 |
0.000 |
0 |
0 |
0 |
0.156 |
19 |
40 |
|
[NA]A:706 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
10 |
5 |
22511 |
67.7 |
-11.2 |
0.000 |
0 |
0 |
0 |
0.166 |
20 |
41 |
|
A |
8 |
5 |
22511 |
x |
A |
-x,y-1/2,-z |
2_545 |
10 |
4 |
22511 |
63.3 |
-0.4 |
0.491 |
0 |
0 |
0 |
0.000 |
21 |
42 |
|
[GTP]A:703 |
6 |
1 |
586 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
22441 |
41.0 |
0.8 |
0.708 |
2 |
0 |
0 |
0.000 |
43 |
|
[GTP]D:701 |
4 |
1 |
591 |
◊ |
C |
x,y,z |
1_555 |
2 |
1 |
22344 |
40.5 |
1.0 |
0.693 |
2 |
0 |
0 |
0.000 |
44 |
|
[GTP]C:704 |
5 |
1 |
580 |
◊ |
D |
x,y,z |
1_555 |
2 |
1 |
22463 |
38.5 |
1.3 |
0.739 |
2 |
0 |
0 |
0.000 |
45 |
|
[GTP]B:702 |
5 |
1 |
589 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
22511 |
38.2 |
0.9 |
0.718 |
2 |
0 |
0 |
0.000 |
Average: |
39.6 |
1.0 |
0.714 |
2 |
0 |
0 |
0.000 |
22 |
46 |
|
[GTP]D:701 |
6 |
1 |
591 |
f |
[MG]C:702 |
x,y,z |
1_555 |
1 |
1 |
98 |
32.2 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.167 |
47 |
|
[GTP]C:704 |
4 |
1 |
580 |
f |
[MG]C:703 |
x,y,z |
1_555 |
1 |
1 |
98 |
31.5 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.167 |
48 |
|
[GTP]A:703 |
5 |
1 |
586 |
f |
[MG]A:702 |
x,y,z |
1_555 |
1 |
1 |
98 |
31.4 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.167 |
49 |
|
[GTP]B:702 |
5 |
1 |
589 |
f |
[MG]B:701 |
x,y,z |
1_555 |
1 |
1 |
98 |
30.8 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.167 |
Average: |
31.5 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.167 |
23 |
50 |
|
[MG]B:701 |
1 |
1 |
98 |
f |
[DTP]A:701 |
x,y,z |
1_555 |
5 |
1 |
610 |
27.3 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.130 |
51 |
|
[MG]C:702 |
1 |
1 |
98 |
f |
[DTP]C:701 |
x,y,z |
1_555 |
3 |
1 |
600 |
26.9 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.130 |
52 |
|
[MG]C:703 |
1 |
1 |
98 |
f |
[DTP]D:702 |
x,y,z |
1_555 |
3 |
1 |
605 |
26.6 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.130 |
53 |
|
[MG]A:702 |
1 |
1 |
98 |
f |
[DTP]B:703 |
x,y,z |
1_555 |
3 |
1 |
605 |
26.4 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.130 |
Average: |
26.8 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.130 |
24 |
54 |
|
[MG]A:702 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
22511 |
18.5 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.044 |
55 |
|
[MG]C:703 |
1 |
1 |
98 |
◊ |
C |
x,y,z |
1_555 |
3 |
1 |
22344 |
17.2 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.044 |
56 |
|
[MG]B:701 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
4 |
1 |
22441 |
15.7 |
-1.4 |
0.000 |
0 |
0 |
0 |
0.044 |
57 |
|
[MG]C:702 |
1 |
1 |
98 |
◊ |
D |
x,y,z |
1_555 |
3 |
1 |
22463 |
14.8 |
-0.7 |
0.000 |
0 |
0 |
0 |
0.044 |
Average: |
16.5 |
-1.3 |
0.000 |
0 |
0 |
0 |
0.044 |
25 |
58 |
|
[MG]C:703 |
1 |
1 |
98 |
◊ |
D |
x,y,z |
1_555 |
2 |
1 |
22463 |
14.0 |
-0.7 |
0.000 |
0 |
0 |
0 |
0.028 |
59 |
|
[MG]B:701 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
22511 |
13.6 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.028 |
60 |
|
[MG]C:702 |
1 |
1 |
98 |
◊ |
C |
x,y,z |
1_555 |
2 |
1 |
22344 |
12.9 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.028 |
61 |
|
[MG]A:702 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
22441 |
12.6 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.028 |
Average: |
13.3 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.028 |
26 |
62 |
|
C |
3 |
2 |
22344 |
◊ |
B |
-x,y-1/2,-z-1 |
2_544 |
2 |
2 |
22441 |
8.3 |
0.1 |
0.643 |
0 |
0 |
0 |
0.000 |
27 |
63 |
|
[MG]C:702 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
1 |
1 |
22511 |
3.8 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.010 |
64 |
|
[MG]B:701 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
1 |
1 |
22344 |
2.9 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.010 |
65 |
|
[MG]A:702 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
1 |
1 |
22463 |
1.7 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.010 |
66 |
|
[MG]C:703 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
1 |
1 |
22441 |
0.8 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.010 |
Average: |
2.3 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.010 |
28 |
67 |
|
C |
2 |
1 |
22344 |
◊ |
A |
x,y,z-1 |
1_554 |
1 |
1 |
22511 |
1.1 |
0.0 |
0.655 |
0 |
0 |
0 |
0.000 |
|