## |
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 |
152 |
37 |
7916 |
◊ |
E |
x,y,z |
1_555 |
158 |
37 |
8066 |
1470.8 |
-21.7 |
0.036 |
14 |
0 |
0 |
0.546 |
2 |
|
D |
139 |
32 |
8037 |
◊ |
C |
x,y,z |
1_555 |
142 |
34 |
8091 |
1304.7 |
-17.8 |
0.071 |
14 |
1 |
0 |
0.546 |
3 |
|
B |
133 |
35 |
7998 |
◊ |
A |
x,y,z |
1_555 |
132 |
35 |
8129 |
1205.0 |
-17.0 |
0.071 |
12 |
0 |
0 |
0.546 |
Average: |
1326.8 |
-18.8 |
0.059 |
13 |
0 |
0 |
0.546 |
2 |
4 |
|
E |
127 |
33 |
8066 |
◊ |
C |
x,y,z |
1_555 |
126 |
33 |
8091 |
1196.6 |
-6.8 |
0.489 |
20 |
5 |
0 |
0.572 |
5 |
|
D |
125 |
31 |
8037 |
◊ |
A |
x,y,z |
1_555 |
124 |
33 |
8129 |
1144.8 |
-8.0 |
0.423 |
18 |
4 |
0 |
0.572 |
6 |
|
F |
120 |
31 |
7916 |
◊ |
B |
x,y,z |
1_555 |
118 |
32 |
7998 |
1122.2 |
-8.1 |
0.376 |
16 |
4 |
0 |
0.572 |
Average: |
1154.5 |
-7.6 |
0.429 |
18 |
4 |
0 |
0.572 |
3 |
7 |
|
C |
39 |
12 |
8091 |
◊ |
D |
-x,y-1/2,-z-1/2 |
3_544 |
42 |
12 |
8037 |
391.2 |
-1.5 |
0.590 |
5 |
2 |
0 |
0.000 |
4 |
8 |
|
E |
37 |
12 |
8066 |
◊ |
B |
x-1/2,-y+1/2,-z |
4_455 |
39 |
15 |
7998 |
368.9 |
-3.1 |
0.396 |
1 |
0 |
0 |
0.000 |
5 |
9 |
|
F |
45 |
15 |
7916 |
◊ |
A |
x-1/2,-y-1/2,-z |
4_445 |
43 |
14 |
8129 |
365.8 |
-2.4 |
0.441 |
4 |
2 |
0 |
0.007 |
6 |
10 |
|
[4BE]C:161 |
22 |
1 |
526 |
f |
C |
x,y,z |
1_555 |
46 |
16 |
8091 |
314.0 |
-3.4 |
0.412 |
1 |
0 |
0 |
0.121 |
7 |
11 |
|
E |
37 |
16 |
8066 |
◊ |
A |
x-1,y,z |
1_455 |
43 |
17 |
8129 |
286.6 |
2.8 |
0.874 |
0 |
0 |
0 |
0.000 |
8 |
12 |
|
[4BE]B:162 |
22 |
1 |
539 |
f |
A |
x,y,z |
1_555 |
31 |
8 |
8129 |
213.6 |
-3.1 |
0.387 |
0 |
0 |
0 |
0.093 |
9 |
13 |
|
[4BE]B:162 |
22 |
1 |
539 |
◊ |
B |
x,y,z |
1_555 |
29 |
7 |
7998 |
206.0 |
-2.2 |
0.532 |
1 |
0 |
0 |
0.060 |
10 |
14 |
|
[BEN]E:161 |
9 |
1 |
276 |
◊ |
E |
x,y,z |
1_555 |
22 |
8 |
8066 |
123.3 |
3.2 |
0.284 |
1 |
0 |
0 |
0.000 |
11 |
15 |
|
[BEN]A:161 |
9 |
1 |
276 |
◊ |
A |
x,y,z |
1_555 |
17 |
5 |
8129 |
122.5 |
2.7 |
0.174 |
1 |
0 |
0 |
0.000 |
12 |
16 |
|
[BEN]A:163 |
9 |
1 |
280 |
f |
A |
x,y,z |
1_555 |
22 |
9 |
8129 |
121.4 |
2.4 |
0.100 |
0 |
0 |
0 |
0.000 |
13 |
17 |
|
E |
15 |
5 |
8066 |
◊ |
[BEN]B:161 |
x-1/2,-y+1/2,-z |
4_455 |
9 |
1 |
277 |
117.9 |
2.5 |
0.146 |
0 |
0 |
0 |
0.000 |
14 |
18 |
|
C |
14 |
8 |
8091 |
f |
[BEN]D:161 |
-x,y-1/2,-z-1/2 |
3_544 |
9 |
1 |
276 |
116.8 |
2.0 |
0.092 |
1 |
0 |
0 |
0.000 |
15 |
19 |
|
[4BE]C:161 |
16 |
1 |
526 |
◊ |
D |
x,y,z |
1_555 |
15 |
5 |
8037 |
113.4 |
-2.1 |
0.284 |
0 |
0 |
0 |
0.042 |
16 |
20 |
|
[BEN]A:162 |
9 |
1 |
275 |
◊ |
A |
x,y,z |
1_555 |
11 |
5 |
8129 |
107.5 |
2.0 |
0.088 |
0 |
0 |
0 |
0.000 |
17 |
21 |
|
E |
12 |
4 |
8066 |
◊ |
[BEN]A:163 |
x-1,y,z |
1_455 |
9 |
1 |
280 |
107.1 |
3.0 |
0.148 |
1 |
0 |
0 |
0.000 |
18 |
22 |
|
F |
11 |
4 |
7916 |
f |
[BEN]A:162 |
x-1/2,-y-1/2,-z |
4_445 |
9 |
1 |
275 |
93.4 |
2.0 |
0.069 |
2 |
0 |
0 |
0.000 |
19 |
23 |
|
E |
18 |
6 |
8066 |
f |
[BEN]A:161 |
x-1,y,z |
1_455 |
9 |
1 |
276 |
92.3 |
1.6 |
0.088 |
1 |
0 |
0 |
0.000 |
20 |
24 |
|
[BEN]B:161 |
8 |
1 |
277 |
f |
B |
x,y,z |
1_555 |
15 |
8 |
7998 |
85.1 |
2.0 |
0.096 |
1 |
0 |
0 |
0.000 |
21 |
25 |
|
[BEN]D:161 |
9 |
1 |
276 |
◊ |
D |
x,y,z |
1_555 |
8 |
4 |
8037 |
74.0 |
2.3 |
0.068 |
0 |
0 |
0 |
0.000 |
22 |
26 |
|
[BEN]E:161 |
9 |
1 |
276 |
f |
A |
x-1,y,z |
1_455 |
8 |
5 |
8129 |
63.3 |
0.5 |
0.016 |
1 |
0 |
0 |
0.000 |
23 |
27 |
|
[CL]A:160 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
12 |
8 |
8129 |
59.0 |
-7.5 |
0.000 |
0 |
0 |
0 |
0.523 |
28 |
|
[CL]D:160 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
11 |
7 |
8037 |
58.2 |
-7.4 |
0.000 |
0 |
0 |
0 |
0.523 |
29 |
|
[CL]B:160 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
12 |
8 |
7998 |
56.2 |
-7.3 |
0.000 |
0 |
0 |
0 |
0.523 |
30 |
|
[CL]F:160 |
1 |
1 |
125 |
f |
F |
x,y,z |
1_555 |
10 |
6 |
7916 |
54.8 |
-7.1 |
0.000 |
0 |
0 |
0 |
0.523 |
31 |
|
[CL]C:160 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
12 |
7 |
8091 |
54.1 |
-7.2 |
0.000 |
0 |
0 |
0 |
0.523 |
32 |
|
[CL]E:160 |
1 |
1 |
125 |
f |
E |
x,y,z |
1_555 |
11 |
7 |
8066 |
53.5 |
-7.0 |
0.000 |
0 |
0 |
0 |
0.523 |
Average: |
56.0 |
-7.2 |
0.000 |
0 |
0 |
0 |
0.523 |
24 |
33 |
|
[CL]E:160 |
1 |
1 |
125 |
◊ |
F |
x,y,z |
1_555 |
8 |
4 |
7916 |
46.7 |
-5.7 |
0.000 |
0 |
0 |
0 |
0.221 |
34 |
|
[CL]C:160 |
1 |
1 |
125 |
◊ |
D |
x,y,z |
1_555 |
8 |
4 |
8037 |
45.7 |
-5.6 |
0.000 |
0 |
0 |
0 |
0.221 |
35 |
|
[CL]F:160 |
1 |
1 |
125 |
◊ |
E |
x,y,z |
1_555 |
8 |
4 |
8066 |
45.4 |
-5.6 |
0.000 |
0 |
0 |
0 |
0.221 |
36 |
|
[CL]B:160 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
6 |
3 |
8129 |
35.0 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.221 |
37 |
|
[CL]A:160 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
6 |
3 |
7998 |
13.8 |
-1.3 |
0.000 |
0 |
0 |
0 |
0.221 |
38 |
|
[CL]D:160 |
1 |
1 |
125 |
◊ |
C |
x,y,z |
1_555 |
5 |
2 |
8091 |
13.7 |
-1.3 |
0.000 |
0 |
0 |
0 |
0.221 |
Average: |
33.4 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.221 |
25 |
39 |
|
[BEN]E:161 |
6 |
1 |
276 |
◊ |
[BEN]A:161 |
x-1,y,z |
1_455 |
3 |
1 |
276 |
36.9 |
2.4 |
0.095 |
0 |
0 |
0 |
0.000 |
26 |
40 |
|
[BEN]E:161 |
3 |
1 |
276 |
f |
[BEN]A:163 |
x-1,y,z |
1_455 |
4 |
1 |
280 |
34.6 |
0.6 |
0.023 |
0 |
0 |
0 |
0.000 |
27 |
41 |
|
[4BE]B:162 |
3 |
1 |
539 |
f |
[CL]A:160 |
x,y,z |
1_555 |
1 |
1 |
125 |
13.4 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.048 |
28 |
42 |
|
[4BE]C:161 |
3 |
1 |
526 |
◊ |
[CL]D:160 |
x,y,z |
1_555 |
1 |
1 |
125 |
9.0 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.016 |
29 |
43 |
|
F |
1 |
1 |
7916 |
x |
F |
x-1/2,-y-1/2,-z |
4_445 |
2 |
2 |
7916 |
5.8 |
0.3 |
0.826 |
0 |
0 |
0 |
0.000 |
30 |
44 |
|
B |
1 |
1 |
7998 |
x |
B |
x-1/2,-y+1/2,-z |
4_455 |
1 |
1 |
7998 |
1.6 |
-0.0 |
0.612 |
0 |
0 |
0 |
0.000 |
|