## |
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 |
|
F |
194 |
50 |
18899 |
◊ |
E |
x,y,z |
1_555 |
215 |
62 |
18851 |
2025.6 |
-15.7 |
0.167 |
23 |
16 |
0 |
0.716 |
2 |
|
B |
206 |
51 |
18960 |
◊ |
A |
x,y,z |
1_555 |
209 |
58 |
19079 |
2017.4 |
-20.9 |
0.051 |
17 |
14 |
0 |
0.716 |
Average: |
2021.5 |
-18.3 |
0.109 |
20 |
15 |
0 |
0.716 |
2 |
3 |
|
F |
186 |
52 |
18899 |
◊ |
A |
x,y,z |
1_555 |
160 |
40 |
19079 |
1691.0 |
-6.3 |
0.408 |
27 |
19 |
0 |
0.832 |
4 |
|
E |
154 |
35 |
18851 |
◊ |
B |
x,y,z |
1_555 |
176 |
51 |
18960 |
1607.5 |
-8.2 |
0.349 |
19 |
23 |
0 |
0.832 |
Average: |
1649.2 |
-7.3 |
0.378 |
23 |
21 |
0 |
0.832 |
3 |
5 |
|
D |
151 |
17 |
8439 |
◊ |
A |
x,y,z |
1_555 |
154 |
51 |
19079 |
1427.4 |
-24.0 |
0.400 |
26 |
0 |
0 |
1.000 |
6 |
|
H |
146 |
17 |
8414 |
◊ |
E |
x,y,z |
1_555 |
143 |
48 |
18851 |
1386.4 |
-20.5 |
0.496 |
23 |
0 |
0 |
1.000 |
Average: |
1406.9 |
-22.2 |
0.448 |
25 |
0 |
0 |
1.000 |
4 |
7 |
|
D |
152 |
18 |
8439 |
◊ |
B |
x,y,z |
1_555 |
162 |
52 |
18960 |
1424.0 |
-16.8 |
0.548 |
30 |
0 |
0 |
0.780 |
8 |
|
H |
149 |
17 |
8414 |
◊ |
F |
x,y,z |
1_555 |
153 |
49 |
18899 |
1366.8 |
-16.9 |
0.574 |
28 |
0 |
0 |
0.780 |
Average: |
1395.4 |
-16.8 |
0.561 |
29 |
0 |
0 |
0.780 |
5 |
9 |
|
Y |
122 |
15 |
4946 |
◊ |
E |
x,y,z |
1_555 |
120 |
39 |
18851 |
1116.0 |
-14.7 |
0.578 |
16 |
0 |
0 |
1.000 |
10 |
|
X |
127 |
17 |
4872 |
◊ |
A |
x,y,z |
1_555 |
124 |
40 |
19079 |
1100.2 |
-11.1 |
0.674 |
19 |
0 |
0 |
1.000 |
Average: |
1108.1 |
-12.9 |
0.626 |
18 |
0 |
0 |
1.000 |
6 |
11 |
|
D |
103 |
23 |
8439 |
◊ |
X |
x,y,z |
1_555 |
101 |
21 |
4872 |
968.5 |
-7.2 |
0.850 |
49 |
0 |
0 |
1.000 |
12 |
|
H |
95 |
23 |
8414 |
◊ |
Y |
x,y,z |
1_555 |
101 |
21 |
4946 |
968.2 |
-8.9 |
0.836 |
44 |
0 |
0 |
1.000 |
Average: |
968.3 |
-8.1 |
0.843 |
47 |
0 |
0 |
1.000 |
7 |
13 |
|
C |
104 |
12 |
3502 |
◊ |
B |
x,y,z |
1_555 |
96 |
33 |
18960 |
945.3 |
-6.9 |
0.640 |
19 |
0 |
0 |
1.000 |
14 |
|
G |
104 |
12 |
3509 |
◊ |
F |
x,y,z |
1_555 |
94 |
31 |
18899 |
929.1 |
-10.4 |
0.454 |
12 |
0 |
0 |
1.000 |
Average: |
937.2 |
-8.6 |
0.547 |
16 |
0 |
0 |
1.000 |
8 |
15 |
|
D |
63 |
15 |
8439 |
◊ |
C |
x,y,z |
1_555 |
59 |
14 |
3502 |
610.2 |
-3.5 |
0.785 |
26 |
0 |
0 |
1.000 |
16 |
|
H |
61 |
15 |
8414 |
◊ |
G |
x,y,z |
1_555 |
61 |
14 |
3509 |
599.2 |
-2.9 |
0.785 |
26 |
0 |
0 |
1.000 |
Average: |
604.7 |
-3.2 |
0.785 |
26 |
0 |
0 |
1.000 |
9 |
17 |
|
A |
53 |
14 |
19079 |
◊ |
F |
x-1/2,-y+1/2,-z+1 |
4_456 |
44 |
8 |
18899 |
449.4 |
-1.5 |
0.505 |
2 |
3 |
0 |
0.000 |
10 |
18 |
|
Y |
42 |
6 |
4946 |
◊ |
F |
x,y,z |
1_555 |
40 |
15 |
18899 |
375.4 |
-4.8 |
0.586 |
5 |
0 |
0 |
0.089 |
19 |
|
X |
46 |
8 |
4872 |
◊ |
B |
x,y,z |
1_555 |
38 |
15 |
18960 |
366.9 |
-1.3 |
0.718 |
6 |
0 |
0 |
0.089 |
Average: |
371.1 |
-3.0 |
0.652 |
6 |
0 |
0 |
0.089 |
11 |
20 |
|
F |
40 |
15 |
18899 |
◊ |
A |
x-1/2,-y+1/2,-z+1 |
4_456 |
35 |
9 |
19079 |
361.6 |
-1.6 |
0.384 |
2 |
0 |
0 |
0.000 |
12 |
21 |
|
A |
27 |
8 |
19079 |
x |
A |
x-1/2,-y+1/2,-z+1 |
4_456 |
27 |
8 |
19079 |
253.3 |
-0.6 |
0.488 |
3 |
0 |
0 |
0.000 |
13 |
22 |
|
[A3P]C:115 |
19 |
1 |
541 |
cf |
B |
x,y,z |
1_555 |
33 |
16 |
18960 |
244.4 |
-2.9 |
0.400 |
2 |
0 |
0 |
0.246 |
23 |
|
[A3P]G:115 |
19 |
1 |
544 |
f |
F |
x,y,z |
1_555 |
31 |
15 |
18899 |
242.0 |
-2.9 |
0.394 |
5 |
0 |
0 |
0.246 |
Average: |
243.2 |
-2.9 |
0.397 |
4 |
0 |
0 |
0.246 |
14 |
24 |
|
[UMP]C:107 |
18 |
1 |
427 |
cf |
C |
x,y,z |
1_555 |
23 |
2 |
3502 |
200.2 |
2.9 |
0.730 |
0 |
0 |
0 |
0.000 |
25 |
|
[UMP]G:107 |
17 |
1 |
424 |
cf |
G |
x,y,z |
1_555 |
25 |
2 |
3509 |
196.3 |
3.2 |
0.731 |
0 |
0 |
0 |
0.000 |
Average: |
198.3 |
3.0 |
0.730 |
0 |
0 |
0 |
0.000 |
15 |
26 |
|
[UMP]G:107 |
11 |
1 |
424 |
◊ |
F |
x,y,z |
1_555 |
19 |
7 |
18899 |
123.3 |
-1.9 |
0.338 |
1 |
0 |
0 |
0.184 |
27 |
|
[UMP]C:107 |
13 |
1 |
427 |
◊ |
B |
x,y,z |
1_555 |
18 |
7 |
18960 |
121.8 |
-2.4 |
0.284 |
1 |
0 |
0 |
0.184 |
Average: |
122.6 |
-2.1 |
0.311 |
1 |
0 |
0 |
0.184 |
16 |
28 |
|
[A3P]G:115 |
16 |
1 |
544 |
◊ |
Y |
x,y,z |
1_555 |
14 |
1 |
4946 |
110.7 |
1.1 |
0.636 |
0 |
0 |
0 |
0.000 |
29 |
|
[A3P]C:115 |
14 |
1 |
541 |
◊ |
X |
x,y,z |
1_555 |
15 |
1 |
4872 |
109.1 |
2.0 |
0.703 |
0 |
0 |
0 |
0.000 |
Average: |
109.9 |
1.5 |
0.669 |
0 |
0 |
0 |
0.000 |
17 |
30 |
|
[A3P]C:115 |
17 |
1 |
541 |
c |
C |
x,y,z |
1_555 |
14 |
1 |
3502 |
106.0 |
2.6 |
0.711 |
0 |
0 |
0 |
0.000 |
31 |
|
[A3P]G:115 |
16 |
1 |
544 |
c |
G |
x,y,z |
1_555 |
13 |
1 |
3509 |
105.0 |
2.4 |
0.677 |
1 |
0 |
0 |
0.000 |
Average: |
105.5 |
2.5 |
0.694 |
1 |
0 |
0 |
0.000 |
18 |
32 |
|
H |
13 |
2 |
8414 |
◊ |
G |
-x+1/2,-y,z-1/2 |
2_554 |
13 |
2 |
3509 |
103.5 |
0.9 |
0.722 |
3 |
0 |
0 |
0.000 |
19 |
33 |
|
C |
15 |
2 |
3502 |
◊ |
D |
-x+1/2,-y+1,z-1/2 |
2_564 |
13 |
2 |
8439 |
101.4 |
1.2 |
0.757 |
3 |
0 |
0 |
0.000 |
20 |
34 |
|
D |
12 |
1 |
8439 |
x |
D |
-x+1/2,-y+1,z-1/2 |
2_564 |
14 |
1 |
8439 |
92.6 |
1.0 |
0.767 |
0 |
0 |
0 |
0.000 |
21 |
35 |
|
H |
15 |
1 |
8414 |
x |
H |
-x+1/2,-y,z-1/2 |
2_554 |
12 |
1 |
8414 |
91.1 |
2.5 |
0.846 |
1 |
0 |
0 |
0.000 |
22 |
36 |
|
Y |
11 |
1 |
4946 |
◊ |
G |
-x+1/2,-y,z-1/2 |
2_554 |
9 |
1 |
3509 |
89.2 |
1.7 |
0.769 |
0 |
0 |
0 |
0.000 |
23 |
37 |
|
C |
12 |
1 |
3502 |
◊ |
X |
-x+1/2,-y+1,z-1/2 |
2_564 |
10 |
1 |
4872 |
84.9 |
3.1 |
0.853 |
0 |
0 |
0 |
0.000 |
24 |
38 |
|
[UMP]C:107 |
10 |
1 |
427 |
◊ |
D |
x,y,z |
1_555 |
9 |
3 |
8439 |
75.3 |
1.8 |
0.665 |
2 |
0 |
0 |
0.000 |
39 |
|
[UMP]G:107 |
10 |
1 |
424 |
◊ |
H |
x,y,z |
1_555 |
10 |
3 |
8414 |
74.5 |
1.5 |
0.626 |
3 |
0 |
0 |
0.000 |
Average: |
74.9 |
1.7 |
0.646 |
3 |
0 |
0 |
0.000 |
25 |
40 |
|
[A3P]G:115 |
8 |
1 |
544 |
◊ |
H |
x,y,z |
1_555 |
12 |
4 |
8414 |
73.5 |
0.3 |
0.580 |
1 |
0 |
0 |
0.004 |
41 |
|
[A3P]C:115 |
5 |
1 |
541 |
◊ |
D |
x,y,z |
1_555 |
11 |
4 |
8439 |
70.1 |
0.5 |
0.627 |
1 |
0 |
0 |
0.004 |
Average: |
71.8 |
0.4 |
0.604 |
1 |
0 |
0 |
0.004 |
26 |
42 |
|
[MG]A:348 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
11 |
8 |
19079 |
58.7 |
-7.4 |
0.000 |
0 |
0 |
0 |
0.140 |
27 |
43 |
|
[MG]A:347 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
12 |
7 |
19079 |
54.2 |
-7.0 |
0.000 |
0 |
0 |
0 |
0.131 |
28 |
44 |
|
[IOD]F:344 |
1 |
1 |
144 |
f |
F |
x,y,z |
1_555 |
11 |
3 |
18899 |
50.0 |
-0.3 |
0.637 |
0 |
0 |
0 |
0.020 |
45 |
|
[IOD]C:200 |
1 |
1 |
144 |
f |
B |
x,y,z |
1_555 |
10 |
3 |
18960 |
47.9 |
-0.3 |
0.634 |
0 |
0 |
0 |
0.020 |
Average: |
48.9 |
-0.3 |
0.635 |
0 |
0 |
0 |
0.020 |
29 |
46 |
|
D |
8 |
2 |
8439 |
◊ |
E |
x,y,z |
1_555 |
4 |
1 |
18851 |
49.6 |
-1.0 |
0.527 |
3 |
0 |
0 |
0.027 |
47 |
|
H |
8 |
2 |
8414 |
◊ |
A |
x,y,z |
1_555 |
4 |
2 |
19079 |
48.4 |
-0.9 |
0.536 |
3 |
0 |
0 |
0.027 |
Average: |
49.0 |
-0.9 |
0.531 |
3 |
0 |
0 |
0.027 |
30 |
48 |
|
[MG]A:345 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
14 |
4 |
19079 |
45.9 |
-6.6 |
0.000 |
0 |
0 |
0 |
0.125 |
31 |
49 |
|
[MG]A:344 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
8 |
3 |
19079 |
43.5 |
-5.9 |
0.000 |
0 |
0 |
0 |
0.111 |
32 |
50 |
|
[IOD]C:200 |
1 |
1 |
144 |
◊ |
C |
x,y,z |
1_555 |
7 |
2 |
3502 |
42.1 |
1.2 |
0.899 |
0 |
0 |
0 |
0.000 |
51 |
|
[IOD]F:344 |
1 |
1 |
144 |
◊ |
G |
x,y,z |
1_555 |
7 |
2 |
3509 |
39.8 |
1.1 |
0.889 |
0 |
0 |
0 |
0.000 |
Average: |
41.0 |
1.1 |
0.894 |
0 |
0 |
0 |
0.000 |
33 |
52 |
|
[MG]F:345 |
1 |
1 |
98 |
f |
F |
x,y,z |
1_555 |
9 |
6 |
18899 |
41.9 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.234 |
34 |
53 |
|
[MG]A:346 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
7 |
3 |
19079 |
38.2 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.078 |
35 |
54 |
|
[MG]D:310 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
7 |
3 |
8439 |
38.0 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.288 |
36 |
55 |
|
F |
4 |
2 |
18899 |
◊ |
C |
-x+1,y-1/2,-z+1/2 |
3_645 |
4 |
2 |
3502 |
36.4 |
-1.5 |
0.291 |
0 |
0 |
0 |
0.000 |
37 |
56 |
|
[MG]F:345 |
1 |
1 |
98 |
◊ |
H |
x,y,z |
1_555 |
8 |
3 |
8414 |
31.8 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.084 |
38 |
57 |
|
[UMP]C:107 |
3 |
1 |
427 |
◊ |
[IOD]C:200 |
x,y,z |
1_555 |
1 |
1 |
144 |
28.1 |
0.3 |
0.706 |
0 |
0 |
0 |
0.000 |
58 |
|
[UMP]G:107 |
2 |
1 |
424 |
◊ |
[IOD]F:344 |
x,y,z |
1_555 |
1 |
1 |
144 |
22.1 |
0.3 |
0.694 |
0 |
0 |
0 |
0.000 |
Average: |
25.1 |
0.3 |
0.700 |
0 |
0 |
0 |
0.000 |
39 |
59 |
|
[MG]A:347 |
1 |
1 |
98 |
◊ |
F |
x-1/2,-y+1/2,-z+1 |
4_456 |
2 |
1 |
18899 |
27.2 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.000 |
40 |
60 |
|
[MG]A:344 |
1 |
1 |
98 |
◊ |
X |
x,y,z |
1_555 |
4 |
3 |
4872 |
22.3 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.050 |
41 |
61 |
|
[MG]A:344 |
1 |
1 |
98 |
◊ |
D |
x,y,z |
1_555 |
4 |
3 |
8439 |
18.1 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.031 |
42 |
62 |
|
X |
2 |
1 |
4872 |
◊ |
F |
x-1/2,-y+1/2,-z+1 |
4_456 |
2 |
1 |
18899 |
12.6 |
0.1 |
0.449 |
0 |
0 |
0 |
0.000 |
43 |
63 |
|
[MG]A:346 |
1 |
1 |
98 |
◊ |
A |
x-1/2,-y+1/2,-z+1 |
4_456 |
2 |
2 |
19079 |
11.6 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.000 |
44 |
64 |
|
[A3P]G:115 |
1 |
1 |
544 |
◊ |
E |
x,y,z |
1_555 |
2 |
1 |
18851 |
9.2 |
-0.6 |
0.223 |
0 |
0 |
0 |
0.015 |
65 |
|
[A3P]C:115 |
1 |
1 |
541 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
19079 |
3.2 |
-0.2 |
0.283 |
0 |
0 |
0 |
0.015 |
Average: |
6.2 |
-0.4 |
0.253 |
0 |
0 |
0 |
0.015 |
45 |
66 |
|
C |
1 |
1 |
3502 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
19079 |
3.6 |
-0.3 |
0.265 |
0 |
0 |
0 |
0.002 |
67 |
|
G |
1 |
1 |
3509 |
◊ |
E |
x,y,z |
1_555 |
1 |
1 |
18851 |
2.1 |
-0.1 |
0.316 |
0 |
0 |
0 |
0.002 |
Average: |
2.9 |
-0.2 |
0.290 |
0 |
0 |
0 |
0.002 |
46 |
68 |
|
D |
1 |
1 |
8439 |
◊ |
F |
x-1/2,-y+1/2,-z+1 |
4_456 |
2 |
1 |
18899 |
1.5 |
-0.0 |
0.443 |
0 |
0 |
0 |
0.000 |
47 |
69 |
|
D |
1 |
1 |
8439 |
◊ |
F |
x,y,z |
1_555 |
1 |
1 |
18899 |
1.2 |
-0.1 |
0.448 |
0 |
0 |
0 |
0.000 |
|