## |
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 |
|
B |
196 |
55 |
9219 |
◊ |
A |
x,y,z |
1_555 |
157 |
26 |
10388 |
1876.9 |
-32.9 |
0.173 |
18 |
18 |
0 |
0.548 |
2 |
|
F |
193 |
54 |
9282 |
◊ |
E |
x,y,z |
1_555 |
162 |
26 |
9715 |
1860.6 |
-32.5 |
0.128 |
21 |
16 |
0 |
0.548 |
Average: |
1868.7 |
-32.7 |
0.151 |
20 |
17 |
0 |
0.548 |
2 |
3 |
|
D |
183 |
44 |
9135 |
◊ |
A |
x,y,z |
1_555 |
148 |
31 |
10388 |
1640.6 |
-27.3 |
0.188 |
14 |
6 |
0 |
0.533 |
4 |
|
H |
172 |
44 |
9058 |
◊ |
E |
x,y,z |
1_555 |
133 |
30 |
9715 |
1569.3 |
-30.7 |
0.099 |
16 |
6 |
0 |
0.533 |
Average: |
1604.9 |
-29.0 |
0.143 |
15 |
6 |
0 |
0.533 |
3 |
5 |
|
F |
50 |
17 |
9282 |
◊ |
A |
-x+1/2,-y,z-1/2 |
2_554 |
40 |
10 |
10388 |
483.6 |
-10.1 |
0.207 |
2 |
0 |
0 |
0.101 |
6 |
|
E |
39 |
10 |
9715 |
◊ |
B |
-x+1/2,-y,z-1/2 |
2_554 |
42 |
12 |
9219 |
420.0 |
-8.1 |
0.288 |
1 |
0 |
0 |
0.101 |
Average: |
451.8 |
-9.1 |
0.248 |
2 |
0 |
0 |
0.101 |
4 |
7 |
|
H |
47 |
15 |
9058 |
◊ |
D |
x,y,z |
1_555 |
48 |
14 |
9135 |
387.4 |
-1.8 |
0.726 |
1 |
0 |
0 |
0.007 |
5 |
8 |
|
H |
31 |
12 |
9058 |
◊ |
B |
x,y,z |
1_555 |
27 |
9 |
9219 |
244.0 |
-0.8 |
0.751 |
3 |
0 |
0 |
0.019 |
9 |
|
D |
23 |
11 |
9135 |
◊ |
F |
x,y,z |
1_555 |
28 |
7 |
9282 |
194.3 |
-1.6 |
0.635 |
1 |
0 |
0 |
0.019 |
Average: |
219.1 |
-1.2 |
0.693 |
2 |
0 |
0 |
0.019 |
6 |
10 |
|
D |
20 |
8 |
9135 |
◊ |
B |
x,y,z |
1_555 |
27 |
10 |
9219 |
218.8 |
-2.2 |
0.437 |
0 |
0 |
0 |
0.014 |
11 |
|
H |
17 |
7 |
9058 |
◊ |
F |
x,y,z |
1_555 |
24 |
6 |
9282 |
184.3 |
-1.7 |
0.485 |
1 |
0 |
0 |
0.014 |
Average: |
201.5 |
-1.9 |
0.461 |
1 |
0 |
0 |
0.014 |
7 |
12 |
|
D |
19 |
5 |
9135 |
◊ |
E |
x,y,z |
1_555 |
19 |
6 |
9715 |
189.9 |
1.7 |
0.909 |
3 |
5 |
0 |
0.005 |
13 |
|
H |
18 |
6 |
9058 |
◊ |
A |
x,y,z |
1_555 |
23 |
8 |
10388 |
168.7 |
0.9 |
0.809 |
3 |
4 |
0 |
0.005 |
Average: |
179.3 |
1.3 |
0.859 |
3 |
5 |
0 |
0.005 |
8 |
14 |
|
H |
11 |
6 |
9058 |
◊ |
F |
x-1,y,z |
1_455 |
11 |
4 |
9282 |
107.6 |
0.1 |
0.710 |
1 |
0 |
0 |
0.000 |
9 |
15 |
|
A |
11 |
5 |
10388 |
◊ |
F |
x-1,y,z |
1_455 |
11 |
4 |
9282 |
91.0 |
1.4 |
0.798 |
3 |
0 |
0 |
0.000 |
10 |
16 |
|
D |
11 |
3 |
9135 |
◊ |
B |
x-1,y,z |
1_455 |
9 |
3 |
9219 |
86.3 |
-0.9 |
0.526 |
0 |
0 |
0 |
0.000 |
11 |
17 |
|
[MG]H:202 |
1 |
1 |
98 |
f |
H |
x,y,z |
1_555 |
13 |
5 |
9058 |
59.5 |
-8.3 |
0.000 |
0 |
0 |
0 |
0.114 |
18 |
|
[MG]D:202 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
16 |
6 |
9135 |
55.6 |
-7.2 |
0.000 |
0 |
0 |
0 |
0.114 |
Average: |
57.6 |
-7.7 |
0.000 |
0 |
0 |
0 |
0.114 |
12 |
19 |
|
D |
10 |
4 |
9135 |
◊ |
H |
-x,y-1/2,-z+1/2 |
3_545 |
9 |
4 |
9058 |
58.0 |
-0.3 |
0.613 |
1 |
0 |
0 |
0.000 |
13 |
20 |
|
[MG]D:203 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
13 |
8 |
9135 |
55.0 |
-8.8 |
0.000 |
0 |
0 |
0 |
0.131 |
21 |
|
[MG]H:203 |
1 |
1 |
98 |
f |
H |
x,y,z |
1_555 |
9 |
6 |
9058 |
51.7 |
-8.9 |
0.000 |
0 |
0 |
0 |
0.131 |
Average: |
53.3 |
-8.9 |
0.000 |
0 |
0 |
0 |
0.131 |
14 |
22 |
|
H |
9 |
5 |
9058 |
◊ |
A |
-x+1/2,-y,z-1/2 |
2_554 |
4 |
1 |
10388 |
53.9 |
-1.2 |
0.349 |
0 |
0 |
0 |
0.003 |
23 |
|
E |
1 |
1 |
9715 |
◊ |
D |
-x+1/2,-y,z-1/2 |
2_554 |
1 |
1 |
9135 |
0.6 |
0.0 |
0.728 |
0 |
0 |
0 |
0.003 |
Average: |
27.3 |
-0.6 |
0.539 |
0 |
0 |
0 |
0.003 |
15 |
24 |
|
[MG]H:204 |
1 |
1 |
98 |
f |
H |
x,y,z |
1_555 |
12 |
9 |
9058 |
53.8 |
-9.0 |
0.000 |
0 |
0 |
0 |
0.133 |
25 |
|
[MG]D:204 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
9 |
7 |
9135 |
53.5 |
-9.0 |
0.000 |
0 |
0 |
0 |
0.133 |
Average: |
53.7 |
-9.0 |
0.000 |
0 |
0 |
0 |
0.133 |
16 |
26 |
|
[MG]D:201 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
8 |
4 |
9135 |
50.2 |
-8.1 |
0.000 |
0 |
0 |
0 |
0.120 |
27 |
|
[MG]H:201 |
1 |
1 |
98 |
f |
H |
x,y,z |
1_555 |
11 |
7 |
9058 |
49.8 |
-7.7 |
0.000 |
0 |
0 |
0 |
0.120 |
Average: |
50.0 |
-7.9 |
0.000 |
0 |
0 |
0 |
0.120 |
17 |
28 |
|
F |
6 |
1 |
9282 |
◊ |
B |
-x+3/2,-y,z-1/2 |
2_654 |
5 |
1 |
9219 |
49.8 |
-0.2 |
0.546 |
0 |
0 |
0 |
0.000 |
18 |
29 |
|
[CA]F:202 |
1 |
1 |
85 |
f |
F |
x,y,z |
1_555 |
11 |
7 |
9282 |
48.6 |
-11.6 |
0.000 |
0 |
0 |
0 |
0.144 |
30 |
|
[CA]B:202 |
1 |
1 |
85 |
f |
B |
x,y,z |
1_555 |
11 |
7 |
9219 |
46.5 |
-12.3 |
0.000 |
0 |
0 |
0 |
0.144 |
Average: |
47.5 |
-12.0 |
0.000 |
0 |
0 |
0 |
0.144 |
19 |
31 |
|
[CA]F:203 |
1 |
1 |
85 |
f |
F |
x,y,z |
1_555 |
8 |
6 |
9282 |
46.0 |
-12.3 |
0.000 |
0 |
0 |
0 |
0.152 |
32 |
|
[CA]B:203 |
1 |
1 |
85 |
f |
B |
x,y,z |
1_555 |
6 |
5 |
9219 |
43.3 |
-12.7 |
0.000 |
0 |
0 |
0 |
0.152 |
Average: |
44.6 |
-12.5 |
0.000 |
0 |
0 |
0 |
0.152 |
20 |
33 |
|
[CA]B:201 |
1 |
1 |
85 |
f |
B |
x,y,z |
1_555 |
4 |
4 |
9219 |
43.9 |
-12.3 |
0.000 |
0 |
0 |
0 |
0.156 |
34 |
|
[CA]F:201 |
1 |
1 |
85 |
f |
F |
x,y,z |
1_555 |
7 |
6 |
9282 |
42.9 |
-12.6 |
0.000 |
0 |
0 |
0 |
0.156 |
Average: |
43.4 |
-12.5 |
0.000 |
0 |
0 |
0 |
0.156 |
21 |
35 |
|
[CA]B:204 |
1 |
1 |
85 |
f |
B |
x,y,z |
1_555 |
2 |
2 |
9219 |
42.9 |
-12.7 |
0.000 |
0 |
0 |
0 |
0.136 |
22 |
36 |
|
[MG]H:201 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
4 |
2 |
9219 |
16.9 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.013 |
37 |
|
[MG]D:201 |
1 |
1 |
98 |
◊ |
F |
x,y,z |
1_555 |
3 |
1 |
9282 |
13.8 |
-1.3 |
0.000 |
0 |
0 |
0 |
0.013 |
Average: |
15.4 |
-1.5 |
0.000 |
0 |
0 |
0 |
0.013 |
23 |
38 |
|
B |
3 |
2 |
9219 |
◊ |
H |
-x,y-1/2,-z+1/2 |
3_545 |
5 |
3 |
9058 |
14.1 |
-0.1 |
0.557 |
0 |
0 |
0 |
0.000 |
24 |
39 |
|
F |
3 |
2 |
9282 |
x |
F |
x-1,y,z |
1_455 |
1 |
1 |
9282 |
12.9 |
0.3 |
0.796 |
0 |
0 |
0 |
0.000 |
25 |
40 |
|
F |
5 |
3 |
9282 |
◊ |
A |
-x+3/2,-y,z-1/2 |
2_654 |
2 |
2 |
10388 |
12.1 |
-0.1 |
0.577 |
0 |
0 |
0 |
0.000 |
26 |
41 |
|
F |
1 |
1 |
9282 |
◊ |
B |
-x+1/2,-y,z-1/2 |
2_554 |
2 |
1 |
9219 |
9.6 |
0.2 |
0.785 |
0 |
0 |
0 |
0.000 |
27 |
42 |
|
E |
1 |
1 |
9715 |
◊ |
A |
-x+1/2,-y,z-1/2 |
2_554 |
1 |
1 |
10388 |
4.0 |
-0.0 |
0.620 |
0 |
0 |
0 |
0.000 |
|