## |
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 |
142 |
34 |
12491 |
◊ |
A |
x,y,z |
1_555 |
173 |
47 |
17667 |
1538.0 |
-18.3 |
0.149 |
19 |
5 |
0 |
0.400 |
2 |
2 |
|
B |
144 |
38 |
18004 |
◊ |
A |
x,y,z |
1_555 |
154 |
37 |
17667 |
1376.8 |
-14.0 |
0.112 |
11 |
8 |
0 |
0.300 |
3 |
|
D |
139 |
38 |
17337 |
◊ |
C |
x,y,z |
1_555 |
147 |
35 |
17814 |
1348.0 |
-11.7 |
0.203 |
16 |
11 |
0 |
0.300 |
Average: |
1362.4 |
-12.8 |
0.157 |
14 |
10 |
0 |
0.300 |
3 |
4 |
|
B |
91 |
25 |
18004 |
◊ |
C |
x,y,z |
1_555 |
109 |
30 |
17814 |
887.3 |
-9.4 |
0.178 |
16 |
2 |
0 |
0.079 |
4 |
5 |
|
E |
73 |
16 |
12491 |
◊ |
C |
x,y,z |
1_555 |
84 |
25 |
17814 |
780.8 |
-9.8 |
0.195 |
7 |
4 |
0 |
0.329 |
5 |
6 |
|
D |
81 |
23 |
17337 |
◊ |
F |
-x,y-1/2,-z+1/2 |
3_545 |
85 |
23 |
17264 |
770.9 |
4.1 |
0.785 |
14 |
3 |
0 |
0.000 |
6 |
7 |
|
F |
80 |
22 |
17264 |
◊ |
A |
x,y,z |
1_555 |
89 |
22 |
17667 |
761.0 |
-1.2 |
0.631 |
7 |
6 |
0 |
0.000 |
7 |
8 |
|
E |
60 |
17 |
12491 |
◊ |
D |
x,y,z |
1_555 |
84 |
23 |
17337 |
684.3 |
-3.8 |
0.531 |
6 |
5 |
0 |
0.081 |
8 |
9 |
|
E |
61 |
15 |
12491 |
◊ |
B |
x,y,z |
1_555 |
82 |
21 |
18004 |
657.1 |
-2.8 |
0.554 |
7 |
6 |
0 |
0.061 |
9 |
10 |
|
C |
61 |
18 |
17814 |
◊ |
E |
x-1/2,-y+1/2,-z |
4_455 |
48 |
12 |
12491 |
515.3 |
-1.6 |
0.617 |
6 |
4 |
0 |
0.000 |
10 |
11 |
|
F |
50 |
13 |
17264 |
◊ |
B |
x,y,z |
1_555 |
47 |
12 |
18004 |
482.7 |
1.5 |
0.752 |
4 |
1 |
0 |
0.000 |
11 |
12 |
|
[ACP]F:401 |
31 |
1 |
613 |
f |
F |
x,y,z |
1_555 |
56 |
25 |
17264 |
432.7 |
-0.5 |
0.626 |
8 |
0 |
0 |
0.030 |
12 |
13 |
|
[GTP]A:501 |
31 |
1 |
628 |
f |
A |
x,y,z |
1_555 |
66 |
30 |
17667 |
413.6 |
-3.0 |
0.564 |
18 |
0 |
0 |
0.277 |
14 |
|
[GTP]C:501 |
32 |
1 |
628 |
f |
C |
x,y,z |
1_555 |
68 |
30 |
17814 |
403.5 |
-2.9 |
0.582 |
19 |
0 |
0 |
0.277 |
Average: |
408.5 |
-3.0 |
0.573 |
19 |
0 |
0 |
0.277 |
13 |
15 |
|
[GDP]D:501 |
27 |
1 |
566 |
f |
D |
x,y,z |
1_555 |
60 |
27 |
17337 |
402.5 |
-7.2 |
0.519 |
10 |
0 |
0 |
0.170 |
16 |
|
[GDP]B:501 |
27 |
1 |
562 |
f |
B |
x,y,z |
1_555 |
65 |
27 |
18004 |
397.8 |
-6.7 |
0.553 |
13 |
0 |
0 |
0.170 |
Average: |
400.1 |
-6.9 |
0.536 |
12 |
0 |
0 |
0.170 |
14 |
17 |
|
C |
35 |
12 |
17814 |
◊ |
A |
-x+1/2,-y+1,z-1/2 |
2_564 |
34 |
12 |
17667 |
320.3 |
-1.5 |
0.472 |
2 |
0 |
0 |
0.000 |
15 |
18 |
|
C |
32 |
9 |
17814 |
◊ |
A |
-x,y-1/2,-z+1/2 |
3_545 |
34 |
10 |
17667 |
279.0 |
0.6 |
0.673 |
1 |
1 |
0 |
0.000 |
16 |
19 |
|
C |
34 |
12 |
17814 |
◊ |
E |
-x+1/2,-y+1,z-1/2 |
2_564 |
27 |
6 |
12491 |
246.5 |
-1.3 |
0.542 |
2 |
0 |
0 |
0.000 |
17 |
20 |
|
B |
26 |
6 |
18004 |
◊ |
D |
x-1/2,-y+1/2,-z |
4_455 |
30 |
8 |
17337 |
243.4 |
-0.9 |
0.498 |
1 |
4 |
0 |
0.000 |
18 |
21 |
|
D |
23 |
6 |
17337 |
◊ |
A |
x-1/2,-y+1/2,-z |
4_455 |
27 |
9 |
17667 |
224.9 |
-0.0 |
0.588 |
1 |
3 |
0 |
0.000 |
19 |
22 |
|
C |
27 |
7 |
17814 |
◊ |
B |
x-1/2,-y+1/2,-z |
4_455 |
30 |
10 |
18004 |
198.4 |
-0.4 |
0.592 |
1 |
1 |
0 |
0.000 |
20 |
23 |
|
[MES]B:504 |
12 |
1 |
334 |
◊ |
B |
x,y,z |
1_555 |
27 |
12 |
18004 |
194.0 |
7.0 |
0.372 |
0 |
0 |
0 |
0.000 |
21 |
24 |
|
D |
21 |
8 |
17337 |
◊ |
E |
x-1/2,-y+1/2,-z |
4_455 |
19 |
9 |
12491 |
177.8 |
3.6 |
0.891 |
4 |
5 |
0 |
0.000 |
22 |
25 |
|
[S9S]B:505 |
12 |
1 |
390 |
◊ |
B |
x,y,z |
1_555 |
29 |
9 |
18004 |
176.5 |
5.0 |
0.452 |
0 |
0 |
0 |
0.000 |
23 |
26 |
|
B |
18 |
5 |
18004 |
◊ |
E |
x-1/2,-y+1/2,-z |
4_455 |
19 |
9 |
12491 |
166.4 |
0.8 |
0.758 |
1 |
3 |
0 |
0.000 |
24 |
27 |
|
A |
13 |
4 |
17667 |
◊ |
F |
-x+1/2,-y+1,z-1/2 |
2_564 |
9 |
3 |
17264 |
110.3 |
0.6 |
0.580 |
2 |
2 |
0 |
0.000 |
25 |
28 |
|
C |
8 |
3 |
17814 |
x |
C |
x-1/2,-y+1/2,-z |
4_455 |
20 |
8 |
17814 |
93.1 |
0.8 |
0.770 |
3 |
0 |
0 |
0.000 |
26 |
29 |
|
[S9S]B:505 |
5 |
1 |
390 |
f |
C |
x,y,z |
1_555 |
11 |
4 |
17814 |
71.6 |
-0.4 |
0.125 |
1 |
0 |
0 |
0.020 |
27 |
30 |
|
[GTP]C:501 |
9 |
1 |
628 |
◊ |
D |
x,y,z |
1_555 |
4 |
2 |
17337 |
60.0 |
1.1 |
0.796 |
1 |
0 |
0 |
0.000 |
31 |
|
[GTP]A:501 |
6 |
1 |
628 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
18004 |
36.1 |
0.5 |
0.746 |
1 |
0 |
0 |
0.000 |
Average: |
48.1 |
0.8 |
0.771 |
1 |
0 |
0 |
0.000 |
28 |
32 |
|
B |
9 |
4 |
18004 |
◊ |
E |
-x+1/2,-y+1,z-1/2 |
2_564 |
4 |
2 |
12491 |
54.2 |
-0.8 |
0.398 |
0 |
0 |
0 |
0.000 |
29 |
33 |
|
[MG]B:502 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
9 |
4 |
18004 |
51.7 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.059 |
34 |
|
[MG]D:502 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
4 |
2 |
17337 |
41.7 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.059 |
Average: |
46.7 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.059 |
30 |
35 |
|
[MES]B:504 |
5 |
1 |
334 |
◊ |
A |
x,y,z |
1_555 |
5 |
3 |
17667 |
44.9 |
0.5 |
0.059 |
0 |
0 |
0 |
0.000 |
31 |
36 |
|
[CA]A:503 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
6 |
6 |
17667 |
43.0 |
-12.7 |
0.000 |
0 |
0 |
0 |
0.185 |
32 |
37 |
|
[MG]F:402 |
1 |
1 |
98 |
f |
F |
x,y,z |
1_555 |
5 |
3 |
17264 |
42.2 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.035 |
33 |
38 |
|
[MG]C:502 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
13 |
6 |
17814 |
42.0 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.119 |
39 |
|
[MG]A:502 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
12 |
6 |
17667 |
41.8 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.119 |
Average: |
41.9 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.119 |
34 |
40 |
|
[CA]A:504 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
12 |
7 |
17667 |
41.1 |
-6.7 |
0.000 |
0 |
0 |
0 |
0.098 |
35 |
41 |
|
[ACP]F:401 |
3 |
1 |
613 |
f |
[MG]F:402 |
x,y,z |
1_555 |
1 |
1 |
98 |
36.8 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.035 |
36 |
42 |
|
C |
8 |
5 |
17814 |
f |
[CA]B:503 |
x-1/2,-y+1/2,-z |
4_455 |
1 |
1 |
85 |
35.0 |
-6.1 |
0.000 |
0 |
0 |
0 |
0.149 |
37 |
43 |
|
[MG]A:502 |
1 |
1 |
98 |
f |
[GTP]A:501 |
x,y,z |
1_555 |
5 |
1 |
628 |
32.5 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.107 |
44 |
|
[MG]C:502 |
1 |
1 |
98 |
f |
[GTP]C:501 |
x,y,z |
1_555 |
4 |
1 |
628 |
32.3 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.107 |
Average: |
32.4 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.107 |
38 |
45 |
|
[GDP]D:501 |
4 |
1 |
566 |
f |
[MG]D:502 |
x,y,z |
1_555 |
1 |
1 |
98 |
32.0 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.068 |
46 |
|
[GDP]B:501 |
7 |
1 |
562 |
f |
[MG]B:502 |
x,y,z |
1_555 |
1 |
1 |
98 |
31.0 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.068 |
Average: |
31.5 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.068 |
39 |
47 |
|
[CA]B:503 |
1 |
1 |
85 |
◊ |
B |
x,y,z |
1_555 |
4 |
2 |
18004 |
29.8 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.000 |
40 |
48 |
|
B |
1 |
1 |
18004 |
◊ |
F |
-x+1/2,-y+1,z-1/2 |
2_564 |
3 |
1 |
17264 |
20.2 |
-0.6 |
0.171 |
0 |
0 |
0 |
0.000 |
41 |
49 |
|
[CA]A:504 |
1 |
1 |
85 |
◊ |
E |
x,y,z |
1_555 |
1 |
1 |
12491 |
14.8 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.031 |
42 |
50 |
|
[MG]A:502 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
18004 |
12.8 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.008 |
51 |
|
[MG]C:502 |
1 |
1 |
98 |
◊ |
D |
x,y,z |
1_555 |
1 |
1 |
17337 |
12.7 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.008 |
Average: |
12.8 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.008 |
43 |
52 |
|
[MG]B:502 |
1 |
1 |
98 |
◊ |
C |
x,y,z |
1_555 |
3 |
1 |
17814 |
10.0 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.004 |
44 |
53 |
|
[MES]B:504 |
1 |
1 |
334 |
f |
E |
x,y,z |
1_555 |
1 |
1 |
12491 |
4.1 |
0.1 |
0.340 |
0 |
0 |
0 |
0.000 |
45 |
54 |
|
[S9S]B:505 |
1 |
1 |
390 |
◊ |
[GDP]B:501 |
x,y,z |
1_555 |
1 |
1 |
562 |
1.1 |
-0.0 |
0.230 |
0 |
0 |
0 |
0.000 |
|