## |
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 |
160 |
38 |
8039 |
◊ |
E |
x,y,z |
1_555 |
157 |
37 |
8143 |
1518.8 |
-19.9 |
0.059 |
16 |
1 |
0 |
0.543 |
2 |
|
D |
137 |
34 |
8007 |
◊ |
C |
x,y,z |
1_555 |
138 |
34 |
8026 |
1269.2 |
-19.1 |
0.049 |
10 |
0 |
0 |
0.543 |
3 |
|
B |
134 |
36 |
8050 |
◊ |
A |
x,y,z |
1_555 |
129 |
33 |
8096 |
1228.6 |
-18.1 |
0.057 |
11 |
0 |
0 |
0.543 |
Average: |
1338.9 |
-19.0 |
0.055 |
12 |
0 |
0 |
0.543 |
2 |
4 |
|
E |
128 |
33 |
8143 |
◊ |
C |
x,y,z |
1_555 |
127 |
32 |
8026 |
1200.3 |
-6.8 |
0.469 |
19 |
5 |
0 |
0.590 |
5 |
|
D |
128 |
32 |
8007 |
◊ |
A |
x,y,z |
1_555 |
132 |
32 |
8096 |
1180.0 |
-6.9 |
0.497 |
17 |
3 |
0 |
0.590 |
6 |
|
F |
121 |
31 |
8039 |
◊ |
B |
x,y,z |
1_555 |
122 |
32 |
8050 |
1119.0 |
-8.5 |
0.371 |
18 |
4 |
0 |
0.590 |
Average: |
1166.4 |
-7.4 |
0.446 |
18 |
4 |
0 |
0.590 |
3 |
7 |
|
F |
48 |
15 |
8039 |
◊ |
A |
x-1/2,-y-1/2,-z |
4_445 |
43 |
14 |
8096 |
403.8 |
-0.7 |
0.658 |
6 |
2 |
0 |
0.000 |
4 |
8 |
|
C |
41 |
13 |
8026 |
◊ |
D |
-x,y-1/2,-z-1/2 |
3_544 |
45 |
15 |
8007 |
397.6 |
-1.9 |
0.551 |
5 |
1 |
0 |
0.000 |
5 |
9 |
|
E |
35 |
12 |
8143 |
◊ |
B |
x-1/2,-y+1/2,-z |
4_455 |
40 |
15 |
8050 |
393.9 |
-1.8 |
0.529 |
2 |
3 |
0 |
0.000 |
6 |
10 |
|
E |
34 |
16 |
8143 |
◊ |
A |
x-1,y,z |
1_455 |
43 |
15 |
8096 |
282.4 |
2.4 |
0.854 |
1 |
0 |
0 |
0.000 |
7 |
11 |
|
[JUG]C:162 |
13 |
1 |
310 |
f |
C |
x,y,z |
1_555 |
30 |
13 |
8026 |
213.1 |
-3.7 |
0.463 |
0 |
0 |
0 |
0.119 |
8 |
12 |
|
[BEN]B:161 |
9 |
1 |
275 |
◊ |
B |
x,y,z |
1_555 |
30 |
14 |
8050 |
179.4 |
5.0 |
0.523 |
1 |
0 |
0 |
0.000 |
9 |
13 |
|
[JUG]B:163 |
11 |
1 |
308 |
f |
A |
x,y,z |
1_555 |
27 |
11 |
8096 |
136.9 |
-2.9 |
0.505 |
1 |
0 |
0 |
0.099 |
10 |
14 |
|
[BEN]E:161 |
9 |
1 |
277 |
◊ |
E |
x,y,z |
1_555 |
18 |
6 |
8143 |
136.7 |
3.2 |
0.162 |
2 |
0 |
0 |
0.000 |
11 |
15 |
|
[BEN]E:162 |
9 |
1 |
277 |
◊ |
E |
x,y,z |
1_555 |
24 |
9 |
8143 |
132.1 |
3.6 |
0.304 |
1 |
0 |
0 |
0.000 |
12 |
16 |
|
[BEN]A:161 |
9 |
1 |
276 |
◊ |
A |
x,y,z |
1_555 |
17 |
5 |
8096 |
124.2 |
2.7 |
0.177 |
1 |
0 |
0 |
0.000 |
13 |
17 |
|
E |
17 |
6 |
8143 |
◊ |
[BEN]B:162 |
x-1/2,-y+1/2,-z |
4_455 |
9 |
1 |
277 |
117.3 |
2.4 |
0.136 |
0 |
0 |
0 |
0.000 |
14 |
18 |
|
[BEN]F:161 |
9 |
1 |
277 |
◊ |
A |
x-1/2,-y-1/2,-z |
4_445 |
13 |
7 |
8096 |
112.9 |
1.9 |
0.099 |
0 |
0 |
0 |
0.000 |
15 |
19 |
|
[BEN]C:161 |
9 |
1 |
276 |
f |
C |
x,y,z |
1_555 |
14 |
7 |
8026 |
112.3 |
2.4 |
0.116 |
1 |
0 |
0 |
0.000 |
16 |
20 |
|
[BEN]E:161 |
9 |
1 |
277 |
f |
A |
x-1,y,z |
1_455 |
13 |
5 |
8096 |
99.7 |
2.0 |
0.088 |
1 |
0 |
0 |
0.000 |
17 |
21 |
|
[BEN]F:161 |
9 |
1 |
277 |
f |
F |
x,y,z |
1_555 |
11 |
4 |
8039 |
94.3 |
1.8 |
0.055 |
2 |
0 |
0 |
0.000 |
18 |
22 |
|
E |
17 |
5 |
8143 |
f |
[BEN]A:161 |
x-1,y,z |
1_455 |
9 |
1 |
276 |
92.9 |
1.5 |
0.095 |
1 |
0 |
0 |
0.000 |
19 |
23 |
|
[BEN]B:162 |
8 |
1 |
277 |
f |
B |
x,y,z |
1_555 |
15 |
8 |
8050 |
82.7 |
2.0 |
0.106 |
1 |
0 |
0 |
0.000 |
20 |
24 |
|
[JUG]B:163 |
12 |
1 |
308 |
◊ |
B |
x,y,z |
1_555 |
11 |
3 |
8050 |
77.0 |
-1.2 |
0.521 |
0 |
0 |
0 |
0.029 |
21 |
25 |
|
[BEN]C:161 |
9 |
1 |
276 |
◊ |
D |
-x,y-1/2,-z-1/2 |
3_544 |
9 |
4 |
8007 |
74.2 |
2.3 |
0.083 |
0 |
0 |
0 |
0.000 |
22 |
26 |
|
[BEN]E:162 |
9 |
1 |
277 |
f |
A |
x-1,y,z |
1_455 |
10 |
5 |
8096 |
68.8 |
0.4 |
0.018 |
0 |
0 |
0 |
0.000 |
23 |
27 |
|
[CL]A:160 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
12 |
8 |
8096 |
57.0 |
-7.5 |
0.000 |
0 |
0 |
0 |
0.492 |
28 |
|
[CL]D:160 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
12 |
8 |
8007 |
56.9 |
-7.0 |
0.000 |
0 |
0 |
0 |
0.492 |
29 |
|
[CL]B:160 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
8 |
5 |
8050 |
56.5 |
-7.5 |
0.000 |
0 |
0 |
0 |
0.492 |
30 |
|
[CL]F:160 |
1 |
1 |
125 |
f |
F |
x,y,z |
1_555 |
11 |
6 |
8039 |
53.9 |
-6.8 |
0.000 |
0 |
0 |
0 |
0.492 |
31 |
|
[CL]E:160 |
1 |
1 |
125 |
f |
E |
x,y,z |
1_555 |
13 |
8 |
8143 |
53.8 |
-7.1 |
0.000 |
0 |
0 |
0 |
0.492 |
32 |
|
[CL]C:160 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
13 |
7 |
8026 |
53.5 |
-7.0 |
0.000 |
0 |
0 |
0 |
0.492 |
Average: |
55.3 |
-7.1 |
0.000 |
0 |
0 |
0 |
0.492 |
24 |
33 |
|
[CL]F:160 |
1 |
1 |
125 |
◊ |
E |
x,y,z |
1_555 |
9 |
4 |
8143 |
47.0 |
-6.0 |
0.000 |
0 |
0 |
0 |
0.229 |
34 |
|
[CL]C:160 |
1 |
1 |
125 |
◊ |
D |
x,y,z |
1_555 |
7 |
4 |
8007 |
46.1 |
-5.7 |
0.000 |
0 |
0 |
0 |
0.229 |
35 |
|
[CL]E:160 |
1 |
1 |
125 |
◊ |
F |
x,y,z |
1_555 |
7 |
4 |
8039 |
46.1 |
-5.6 |
0.000 |
0 |
0 |
0 |
0.229 |
36 |
|
[CL]B:160 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
7 |
3 |
8096 |
34.8 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.229 |
37 |
|
[CL]D:160 |
1 |
1 |
125 |
◊ |
C |
x,y,z |
1_555 |
5 |
2 |
8026 |
15.2 |
-1.5 |
0.000 |
0 |
0 |
0 |
0.229 |
38 |
|
[CL]A:160 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
6 |
3 |
8050 |
13.0 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.229 |
Average: |
33.7 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.229 |
25 |
39 |
|
[BEN]E:162 |
6 |
1 |
277 |
◊ |
[BEN]A:161 |
x-1,y,z |
1_455 |
3 |
1 |
276 |
38.3 |
2.5 |
0.095 |
0 |
0 |
0 |
0.000 |
26 |
40 |
|
[JUG]C:162 |
4 |
1 |
310 |
◊ |
D |
x,y,z |
1_555 |
3 |
1 |
8007 |
23.9 |
-0.7 |
0.439 |
0 |
0 |
0 |
0.014 |
27 |
41 |
|
[JUG]B:163 |
3 |
1 |
308 |
f |
[CL]A:160 |
x,y,z |
1_555 |
1 |
1 |
125 |
23.7 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.085 |
28 |
42 |
|
[BEN]E:162 |
2 |
1 |
277 |
f |
[BEN]E:161 |
x,y,z |
1_555 |
2 |
1 |
277 |
11.6 |
0.4 |
0.100 |
0 |
0 |
0 |
0.000 |
29 |
43 |
|
[BEN]B:161 |
1 |
1 |
275 |
f |
A |
x,y,z |
1_555 |
2 |
1 |
8096 |
8.7 |
-0.1 |
0.304 |
0 |
0 |
0 |
0.004 |
30 |
44 |
|
F |
2 |
1 |
8039 |
x |
F |
x-1/2,-y-1/2,-z |
4_445 |
2 |
2 |
8039 |
8.0 |
0.4 |
0.820 |
0 |
0 |
0 |
0.000 |
31 |
45 |
|
F |
1 |
1 |
8039 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
8026 |
3.6 |
0.0 |
0.575 |
0 |
0 |
0 |
0.000 |
32 |
46 |
|
B |
1 |
1 |
8050 |
x |
B |
x-1/2,-y+1/2,-z |
4_455 |
1 |
1 |
8050 |
1.3 |
-0.0 |
0.636 |
0 |
0 |
0 |
0.000 |
|