## |
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 |
159 |
38 |
7964 |
◊ |
E |
x,y,z |
1_555 |
150 |
37 |
8007 |
1470.9 |
-21.4 |
0.040 |
15 |
0 |
0 |
0.552 |
2 |
|
B |
130 |
35 |
8016 |
◊ |
A |
x,y,z |
1_555 |
136 |
33 |
8015 |
1224.7 |
-17.1 |
0.058 |
11 |
1 |
0 |
0.552 |
3 |
|
D |
127 |
34 |
7775 |
◊ |
C |
x,y,z |
1_555 |
133 |
33 |
8159 |
1193.0 |
-19.1 |
0.044 |
10 |
0 |
0 |
0.552 |
Average: |
1296.2 |
-19.2 |
0.047 |
12 |
0 |
0 |
0.552 |
2 |
4 |
|
E |
129 |
33 |
8007 |
◊ |
C |
x,y,z |
1_555 |
130 |
32 |
8159 |
1199.0 |
-7.1 |
0.498 |
19 |
4 |
0 |
0.613 |
5 |
|
D |
118 |
31 |
7775 |
◊ |
A |
x,y,z |
1_555 |
121 |
32 |
8015 |
1171.0 |
-7.3 |
0.470 |
18 |
3 |
0 |
0.613 |
6 |
|
F |
123 |
32 |
7964 |
◊ |
B |
x,y,z |
1_555 |
121 |
32 |
8016 |
1121.9 |
-8.2 |
0.403 |
19 |
3 |
0 |
0.613 |
Average: |
1164.0 |
-7.5 |
0.457 |
19 |
3 |
0 |
0.613 |
3 |
7 |
|
C |
39 |
13 |
8159 |
◊ |
D |
-x,y-1/2,-z+1/2 |
3_545 |
44 |
13 |
7775 |
404.9 |
-3.0 |
0.449 |
4 |
1 |
0 |
0.000 |
4 |
8 |
|
A |
43 |
14 |
8015 |
◊ |
F |
x-1/2,-y-1/2,-z |
4_445 |
47 |
16 |
7964 |
383.4 |
-1.7 |
0.560 |
5 |
2 |
0 |
0.000 |
5 |
9 |
|
B |
41 |
14 |
8016 |
◊ |
E |
x-1/2,-y+1/2,-z |
4_455 |
37 |
11 |
8007 |
364.8 |
-4.1 |
0.297 |
1 |
0 |
0 |
0.000 |
6 |
10 |
|
[3BE]C:162 |
21 |
1 |
530 |
f |
C |
x,y,z |
1_555 |
43 |
15 |
8159 |
318.0 |
-3.4 |
0.422 |
1 |
0 |
0 |
0.117 |
7 |
11 |
|
A |
47 |
17 |
8015 |
◊ |
E |
x-1,y,z |
1_455 |
39 |
16 |
8007 |
303.7 |
2.3 |
0.859 |
1 |
0 |
0 |
0.000 |
8 |
12 |
|
[3BE]B:163 |
22 |
1 |
547 |
f |
A |
x,y,z |
1_555 |
37 |
11 |
8015 |
221.9 |
-3.6 |
0.378 |
0 |
0 |
0 |
0.104 |
9 |
13 |
|
[3BE]B:163 |
22 |
1 |
547 |
◊ |
B |
x,y,z |
1_555 |
30 |
8 |
8016 |
195.9 |
-2.3 |
0.498 |
0 |
0 |
0 |
0.050 |
10 |
14 |
|
[BEN]B:162 |
9 |
1 |
276 |
◊ |
B |
x,y,z |
1_555 |
27 |
13 |
8016 |
172.7 |
5.0 |
0.506 |
1 |
0 |
0 |
0.000 |
11 |
15 |
|
[BEN]A:162 |
9 |
1 |
275 |
◊ |
A |
x,y,z |
1_555 |
16 |
6 |
8015 |
131.8 |
2.8 |
0.166 |
1 |
0 |
0 |
0.000 |
12 |
16 |
|
[BEN]C:161 |
9 |
1 |
277 |
◊ |
C |
x,y,z |
1_555 |
15 |
8 |
8159 |
130.5 |
2.9 |
0.131 |
1 |
0 |
0 |
0.000 |
13 |
17 |
|
[BEN]A:161 |
9 |
1 |
274 |
◊ |
A |
x,y,z |
1_555 |
14 |
5 |
8015 |
121.8 |
1.7 |
0.111 |
2 |
0 |
0 |
0.000 |
14 |
18 |
|
[BEN]B:161 |
9 |
1 |
279 |
◊ |
E |
x-1/2,-y+1/2,-z |
4_455 |
18 |
6 |
8007 |
119.3 |
2.2 |
0.127 |
0 |
0 |
0 |
0.000 |
15 |
19 |
|
[3BE]C:162 |
15 |
1 |
530 |
◊ |
D |
x,y,z |
1_555 |
16 |
5 |
7775 |
117.2 |
-2.0 |
0.340 |
0 |
0 |
0 |
0.040 |
16 |
20 |
|
[BEN]A:161 |
9 |
1 |
274 |
◊ |
B |
x,y,z |
1_555 |
17 |
7 |
8016 |
116.6 |
1.3 |
0.099 |
1 |
0 |
0 |
0.000 |
17 |
21 |
|
[BEN]A:163 |
9 |
1 |
273 |
◊ |
A |
x,y,z |
1_555 |
13 |
7 |
8015 |
103.8 |
1.5 |
0.074 |
0 |
0 |
0 |
0.000 |
18 |
22 |
|
[BEN]A:163 |
9 |
1 |
273 |
f |
F |
x-1/2,-y-1/2,-z |
4_445 |
10 |
4 |
7964 |
101.0 |
1.9 |
0.075 |
2 |
0 |
0 |
0.000 |
19 |
23 |
|
[BEN]A:162 |
9 |
1 |
275 |
f |
E |
x-1,y,z |
1_455 |
16 |
6 |
8007 |
100.1 |
1.9 |
0.096 |
1 |
0 |
0 |
0.000 |
20 |
24 |
|
[BEN]B:161 |
8 |
1 |
279 |
f |
B |
x,y,z |
1_555 |
14 |
7 |
8016 |
77.9 |
1.4 |
0.062 |
1 |
0 |
0 |
0.000 |
21 |
25 |
|
[BEN]C:161 |
9 |
1 |
277 |
f |
D |
-x,y-1/2,-z+1/2 |
3_545 |
10 |
5 |
7775 |
75.7 |
2.2 |
0.074 |
0 |
0 |
0 |
0.000 |
22 |
26 |
|
[CL]A:160 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
12 |
7 |
8015 |
58.7 |
-7.5 |
0.000 |
0 |
0 |
0 |
0.495 |
27 |
|
[CL]D:160 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
11 |
7 |
7775 |
57.1 |
-7.1 |
0.000 |
0 |
0 |
0 |
0.495 |
28 |
|
[CL]B:160 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
11 |
7 |
8016 |
56.2 |
-6.9 |
0.000 |
0 |
0 |
0 |
0.495 |
29 |
|
[CL]C:160 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
12 |
7 |
8159 |
54.4 |
-7.0 |
0.000 |
0 |
0 |
0 |
0.495 |
30 |
|
[CL]F:160 |
1 |
1 |
125 |
f |
F |
x,y,z |
1_555 |
10 |
5 |
7964 |
54.0 |
-6.8 |
0.000 |
0 |
0 |
0 |
0.495 |
31 |
|
[CL]E:160 |
1 |
1 |
125 |
f |
E |
x,y,z |
1_555 |
8 |
5 |
8007 |
53.5 |
-7.1 |
0.000 |
0 |
0 |
0 |
0.495 |
Average: |
55.7 |
-7.1 |
0.000 |
0 |
0 |
0 |
0.495 |
23 |
32 |
|
[CL]F:160 |
1 |
1 |
125 |
◊ |
E |
x,y,z |
1_555 |
9 |
4 |
8007 |
47.6 |
-6.0 |
0.000 |
0 |
0 |
0 |
0.226 |
33 |
|
[CL]E:160 |
1 |
1 |
125 |
◊ |
F |
x,y,z |
1_555 |
8 |
4 |
7964 |
45.4 |
-5.5 |
0.000 |
0 |
0 |
0 |
0.226 |
34 |
|
[CL]C:160 |
1 |
1 |
125 |
◊ |
D |
x,y,z |
1_555 |
10 |
4 |
7775 |
44.9 |
-5.7 |
0.000 |
0 |
0 |
0 |
0.226 |
35 |
|
[CL]B:160 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
15 |
4 |
8015 |
44.3 |
-5.3 |
0.000 |
0 |
0 |
0 |
0.226 |
36 |
|
[CL]D:160 |
1 |
1 |
125 |
◊ |
C |
x,y,z |
1_555 |
5 |
2 |
8159 |
20.6 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.226 |
37 |
|
[CL]A:160 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
6 |
3 |
8016 |
12.6 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.226 |
Average: |
35.9 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.226 |
24 |
38 |
|
[3BE]B:163 |
3 |
1 |
547 |
f |
[CL]A:160 |
x,y,z |
1_555 |
1 |
1 |
125 |
22.9 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.078 |
25 |
39 |
|
[BEN]B:162 |
1 |
1 |
276 |
f |
A |
x,y,z |
1_555 |
2 |
1 |
8015 |
13.0 |
-0.0 |
0.321 |
0 |
0 |
0 |
0.000 |
26 |
40 |
|
[3BE]C:162 |
3 |
1 |
530 |
◊ |
[CL]D:160 |
x,y,z |
1_555 |
1 |
1 |
125 |
9.5 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.018 |
27 |
41 |
|
[BEN]A:161 |
2 |
1 |
274 |
◊ |
D |
x,y,z |
1_555 |
2 |
1 |
7775 |
6.8 |
0.3 |
0.275 |
0 |
0 |
0 |
0.000 |
28 |
42 |
|
[BEN]A:161 |
2 |
1 |
274 |
f |
F |
x,y,z |
1_555 |
1 |
1 |
7964 |
3.4 |
0.1 |
0.279 |
0 |
0 |
0 |
0.000 |
29 |
43 |
|
B |
1 |
1 |
8016 |
x |
B |
x-1/2,-y+1/2,-z |
4_455 |
1 |
1 |
8016 |
3.2 |
-0.0 |
0.580 |
0 |
0 |
0 |
0.000 |
30 |
44 |
|
[3BE]B:163 |
1 |
1 |
547 |
f |
[BEN]B:162 |
x,y,z |
1_555 |
1 |
1 |
276 |
0.9 |
-0.0 |
0.362 |
0 |
0 |
0 |
0.000 |
|