| ## |
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 |
|
E |
146 |
35 |
12449 |
◊ |
A |
x,y,z |
1_555 |
177 |
46 |
17890 |
1538.3 |
-17.6 |
0.182 |
14 |
2 |
0 |
0.341 |
| 2 |
2 |
|
D |
139 |
37 |
16911 |
◊ |
C |
x,y,z |
1_555 |
144 |
35 |
17636 |
1317.3 |
-12.2 |
0.166 |
8 |
10 |
0 |
0.277 |
3 |
|
B |
144 |
38 |
17127 |
◊ |
A |
x,y,z |
1_555 |
143 |
36 |
17890 |
1313.7 |
-14.3 |
0.091 |
5 |
5 |
0 |
0.277 |
| Average: |
1315.5 |
-13.3 |
0.128 |
7 |
8 |
0 |
0.277 |
| 3 |
4 |
|
D |
126 |
35 |
16911 |
◊ |
F |
-x,y-1/2,-z+1/2 |
3_545 |
126 |
29 |
17468 |
1138.3 |
0.8 |
0.605 |
4 |
2 |
0 |
0.000 |
| 4 |
5 |
|
B |
88 |
26 |
17127 |
◊ |
C |
x,y,z |
1_555 |
103 |
30 |
17636 |
837.2 |
-8.6 |
0.186 |
5 |
2 |
0 |
0.057 |
| 5 |
6 |
|
F |
84 |
25 |
17468 |
◊ |
A |
x,y,z |
1_555 |
91 |
25 |
17890 |
820.0 |
-1.0 |
0.627 |
5 |
6 |
0 |
0.000 |
| 6 |
7 |
|
E |
78 |
17 |
12449 |
◊ |
C |
x,y,z |
1_555 |
80 |
24 |
17636 |
757.2 |
-7.2 |
0.345 |
5 |
4 |
0 |
0.126 |
| 7 |
8 |
|
E |
54 |
17 |
12449 |
◊ |
D |
x,y,z |
1_555 |
74 |
21 |
16911 |
646.2 |
-5.4 |
0.377 |
3 |
2 |
0 |
0.088 |
| 8 |
9 |
|
E |
60 |
15 |
12449 |
◊ |
B |
x,y,z |
1_555 |
79 |
21 |
17127 |
626.1 |
-3.4 |
0.537 |
1 |
4 |
0 |
0.043 |
| 9 |
10 |
|
C |
61 |
18 |
17636 |
◊ |
E |
x-1/2,-y+1/2,-z |
4_455 |
46 |
11 |
12449 |
504.2 |
-3.3 |
0.494 |
0 |
2 |
0 |
0.000 |
| 10 |
11 |
|
F |
47 |
13 |
17468 |
◊ |
B |
x,y,z |
1_555 |
47 |
12 |
17127 |
450.4 |
1.4 |
0.744 |
1 |
0 |
0 |
0.000 |
| 11 |
12 |
|
[GTP]D:602 |
32 |
1 |
622 |
f |
D |
x,y,z |
1_555 |
68 |
31 |
16911 |
432.6 |
-2.9 |
0.539 |
7 |
0 |
0 |
0.097 |
| 12 |
13 |
|
[GTP]C:501 |
32 |
1 |
630 |
f |
C |
x,y,z |
1_555 |
68 |
31 |
17636 |
415.4 |
-2.9 |
0.564 |
10 |
0 |
0 |
0.117 |
14 |
|
[GTP]A:501 |
32 |
1 |
631 |
f |
A |
x,y,z |
1_555 |
67 |
30 |
17890 |
412.2 |
-2.7 |
0.561 |
10 |
0 |
0 |
0.117 |
| Average: |
413.8 |
-2.8 |
0.563 |
10 |
0 |
0 |
0.117 |
| 13 |
15 |
|
[GDP]B:501 |
27 |
1 |
560 |
f |
B |
x,y,z |
1_555 |
64 |
28 |
17127 |
408.4 |
-6.9 |
0.559 |
7 |
0 |
0 |
0.127 |
| 14 |
16 |
|
[ACP]F:401 |
27 |
1 |
632 |
f |
F |
x,y,z |
1_555 |
55 |
22 |
17468 |
394.3 |
-1.6 |
0.525 |
3 |
0 |
0 |
0.100 |
| 15 |
17 |
|
C |
53 |
11 |
17636 |
◊ |
A |
-x,y-1/2,-z+1/2 |
3_545 |
45 |
12 |
17890 |
390.3 |
-0.8 |
0.621 |
0 |
1 |
0 |
0.000 |
| 16 |
18 |
|
[BKL]D:603 |
28 |
1 |
715 |
f |
D |
x,y,z |
1_555 |
39 |
11 |
16911 |
310.2 |
-7.4 |
0.356 |
2 |
0 |
0 |
0.132 |
| 17 |
19 |
|
C |
33 |
11 |
17636 |
◊ |
A |
-x+1/2,-y+1,z-1/2 |
2_564 |
34 |
12 |
17890 |
298.7 |
-0.8 |
0.515 |
1 |
0 |
0 |
0.000 |
| 18 |
20 |
|
[MES]B:505 |
12 |
1 |
338 |
f |
B |
x,y,z |
1_555 |
38 |
12 |
17127 |
234.7 |
7.1 |
0.501 |
0 |
0 |
0 |
0.000 |
| 19 |
21 |
|
C |
31 |
10 |
17636 |
◊ |
E |
-x+1/2,-y+1,z-1/2 |
2_564 |
24 |
5 |
12449 |
225.9 |
-1.0 |
0.537 |
0 |
0 |
0 |
0.000 |
| 20 |
22 |
|
C |
23 |
6 |
17636 |
◊ |
B |
x-1/2,-y+1/2,-z |
4_455 |
30 |
10 |
17127 |
198.6 |
-0.6 |
0.550 |
1 |
0 |
0 |
0.000 |
| 21 |
23 |
|
[MES]B:504 |
12 |
1 |
333 |
◊ |
B |
x,y,z |
1_555 |
30 |
12 |
17127 |
194.1 |
6.1 |
0.357 |
0 |
0 |
0 |
0.000 |
| 22 |
24 |
|
B |
18 |
6 |
17127 |
◊ |
D |
x-1/2,-y+1/2,-z |
4_455 |
22 |
7 |
16911 |
162.1 |
-1.0 |
0.450 |
0 |
1 |
0 |
0.000 |
| 23 |
25 |
|
B |
15 |
6 |
17127 |
◊ |
E |
x-1/2,-y+1/2,-z |
4_455 |
21 |
9 |
12449 |
152.1 |
-0.1 |
0.655 |
0 |
1 |
0 |
0.000 |
| 24 |
26 |
|
[MES]A:505 |
11 |
1 |
336 |
◊ |
A |
x,y,z |
1_555 |
15 |
7 |
17890 |
127.7 |
3.7 |
0.051 |
0 |
0 |
0 |
0.000 |
| 25 |
27 |
|
D |
13 |
6 |
16911 |
◊ |
E |
x-1/2,-y+1/2,-z |
4_455 |
12 |
6 |
12449 |
107.7 |
1.8 |
0.851 |
1 |
3 |
0 |
0.000 |
| 26 |
28 |
|
C |
9 |
4 |
17636 |
◊ |
F |
-x,y-1/2,-z+1/2 |
3_545 |
10 |
3 |
17468 |
102.0 |
-0.7 |
0.424 |
0 |
0 |
0 |
0.000 |
| 27 |
29 |
|
[MES]A:505 |
10 |
1 |
336 |
◊ |
B |
x,y,z |
1_555 |
11 |
4 |
17127 |
69.3 |
0.9 |
0.012 |
0 |
0 |
0 |
0.000 |
| 28 |
30 |
|
[CL]A:504 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
10 |
5 |
17890 |
61.7 |
-9.2 |
0.000 |
0 |
0 |
0 |
0.130 |
| 29 |
31 |
|
[MES]A:505 |
4 |
1 |
336 |
◊ |
E |
x,y,z |
1_555 |
9 |
3 |
12449 |
51.6 |
1.4 |
0.337 |
0 |
0 |
0 |
0.000 |
| 30 |
32 |
|
[MG]B:502 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
7 |
3 |
17127 |
50.8 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.078 |
33 |
|
[MG]D:601 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
15 |
7 |
16911 |
45.5 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.078 |
| Average: |
48.1 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.078 |
| 31 |
34 |
|
[GTP]A:501 |
8 |
1 |
631 |
◊ |
B |
x,y,z |
1_555 |
3 |
2 |
17127 |
48.2 |
0.8 |
0.770 |
1 |
0 |
0 |
0.000 |
35 |
|
[GTP]C:501 |
8 |
1 |
630 |
◊ |
D |
x,y,z |
1_555 |
3 |
2 |
16911 |
37.4 |
0.8 |
0.767 |
1 |
0 |
0 |
0.000 |
| Average: |
42.8 |
0.8 |
0.768 |
1 |
0 |
0 |
0.000 |
| 32 |
36 |
|
[MG]A:502 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
14 |
7 |
17890 |
43.5 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.085 |
37 |
|
[MG]C:502 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
13 |
7 |
17636 |
43.4 |
-5.3 |
0.000 |
0 |
0 |
0 |
0.085 |
| Average: |
43.5 |
-5.3 |
0.000 |
0 |
0 |
0 |
0.085 |
| 33 |
38 |
|
[CA]A:503 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
4 |
4 |
17890 |
42.9 |
-12.7 |
0.000 |
0 |
0 |
0 |
0.180 |
| 34 |
39 |
|
B |
5 |
3 |
17127 |
◊ |
F |
-x+1/2,-y+1,z-1/2 |
2_564 |
3 |
1 |
17468 |
38.4 |
0.1 |
0.607 |
0 |
0 |
0 |
0.000 |
| 35 |
40 |
|
[MG]D:601 |
1 |
1 |
98 |
f |
[GTP]D:602 |
x,y,z |
1_555 |
4 |
1 |
622 |
37.4 |
-5.5 |
0.000 |
0 |
0 |
0 |
0.156 |
41 |
|
[MG]A:502 |
1 |
1 |
98 |
f |
[GTP]A:501 |
x,y,z |
1_555 |
5 |
1 |
631 |
32.3 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.156 |
42 |
|
[MG]C:502 |
1 |
1 |
98 |
f |
[GTP]C:501 |
x,y,z |
1_555 |
5 |
1 |
630 |
32.0 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.156 |
| Average: |
33.9 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.156 |
| 36 |
43 |
|
[CA]E:201 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
9 |
6 |
17890 |
37.4 |
-5.7 |
0.000 |
0 |
0 |
0 |
0.081 |
| 37 |
44 |
|
[MES]B:504 |
4 |
1 |
333 |
◊ |
[MES]A:505 |
x,y,z |
1_555 |
2 |
1 |
336 |
36.0 |
1.5 |
0.058 |
0 |
0 |
0 |
0.000 |
| 38 |
45 |
|
C |
7 |
4 |
17636 |
x |
C |
x-1/2,-y+1/2,-z |
4_455 |
12 |
6 |
17636 |
32.7 |
-0.8 |
0.419 |
0 |
0 |
0 |
0.000 |
| 39 |
46 |
|
[GDP]B:501 |
8 |
1 |
560 |
f |
[MG]B:502 |
x,y,z |
1_555 |
1 |
1 |
98 |
32.3 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.059 |
| 40 |
47 |
|
C |
6 |
2 |
17636 |
f |
[MG]B:506 |
x-1/2,-y+1/2,-z |
4_455 |
1 |
1 |
98 |
30.5 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.055 |
| 41 |
48 |
|
B |
4 |
2 |
17127 |
◊ |
E |
-x+1/2,-y+1,z-1/2 |
2_564 |
2 |
2 |
12449 |
29.9 |
-0.4 |
0.390 |
0 |
0 |
0 |
0.000 |
| 42 |
49 |
|
[CA]B:503 |
1 |
1 |
85 |
f |
B |
x,y,z |
1_555 |
4 |
2 |
17127 |
29.8 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.063 |
| 43 |
50 |
|
[MG]B:506 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
5 |
2 |
17127 |
28.8 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.000 |
| 44 |
51 |
|
C |
7 |
4 |
17636 |
◊ |
[CA]B:503 |
x-1/2,-y+1/2,-z |
4_455 |
1 |
1 |
85 |
25.1 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.000 |
| 45 |
52 |
|
[MES]B:504 |
5 |
1 |
333 |
◊ |
A |
x,y,z |
1_555 |
4 |
2 |
17890 |
24.9 |
0.1 |
0.038 |
0 |
0 |
0 |
0.000 |
| 46 |
53 |
|
A |
2 |
2 |
17890 |
◊ |
F |
-x+1/2,-y+1,z-1/2 |
2_564 |
2 |
1 |
17468 |
18.7 |
0.2 |
0.472 |
0 |
0 |
0 |
0.000 |
| 47 |
54 |
|
[CA]E:201 |
1 |
1 |
85 |
◊ |
E |
x,y,z |
1_555 |
3 |
1 |
12449 |
16.7 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.034 |
| 48 |
55 |
|
[MG]A:502 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
17127 |
11.6 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.008 |
56 |
|
[MG]C:502 |
1 |
1 |
98 |
◊ |
D |
x,y,z |
1_555 |
1 |
1 |
16911 |
10.6 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.008 |
| Average: |
11.1 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.008 |
| 49 |
57 |
|
D |
1 |
1 |
16911 |
◊ |
A |
x-1/2,-y+1/2,-z |
4_455 |
1 |
1 |
17890 |
7.6 |
0.2 |
0.464 |
0 |
0 |
0 |
0.000 |
| 50 |
58 |
|
[MG]B:502 |
1 |
1 |
98 |
◊ |
C |
x,y,z |
1_555 |
2 |
1 |
17636 |
6.0 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.002 |
| 51 |
59 |
|
D |
1 |
1 |
16911 |
f |
[MES]A:505 |
x-1/2,-y+1/2,-z |
4_455 |
1 |
1 |
336 |
3.0 |
-0.0 |
0.249 |
0 |
0 |
0 |
0.000 |
| 52 |
60 |
|
[MES]B:504 |
1 |
1 |
333 |
f |
E |
x,y,z |
1_555 |
1 |
1 |
12449 |
2.0 |
0.0 |
0.365 |
0 |
0 |
0 |
0.000 |
| 53 |
61 |
|
D |
1 |
1 |
16911 |
◊ |
B |
x-1/2,-y+1/2,-z |
4_455 |
1 |
1 |
17127 |
0.1 |
0.0 |
0.657 |
0 |
0 |
0 |
0.000 |
|