| ## |
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 |
154 |
37 |
7871 |
◊ |
E |
x,y,z |
1_555 |
156 |
37 |
8072 |
1466.5 |
-22.0 |
0.040 |
14 |
0 |
0 |
0.560 |
2 |
|
D |
136 |
35 |
8021 |
◊ |
C |
x,y,z |
1_555 |
140 |
35 |
7972 |
1276.3 |
-18.8 |
0.055 |
12 |
0 |
0 |
0.560 |
3 |
|
B |
134 |
34 |
7877 |
◊ |
A |
x,y,z |
1_555 |
128 |
33 |
8085 |
1212.7 |
-17.7 |
0.071 |
11 |
0 |
0 |
0.560 |
| Average: |
1318.5 |
-19.5 |
0.055 |
12 |
0 |
0 |
0.560 |
| 2 |
4 |
|
D |
129 |
32 |
8021 |
◊ |
A |
x,y,z |
1_555 |
128 |
32 |
8085 |
1177.3 |
-6.9 |
0.501 |
18 |
4 |
0 |
0.588 |
5 |
|
E |
131 |
33 |
8072 |
◊ |
C |
x,y,z |
1_555 |
121 |
32 |
7972 |
1170.1 |
-8.0 |
0.456 |
20 |
4 |
0 |
0.588 |
6 |
|
F |
119 |
32 |
7871 |
◊ |
B |
x,y,z |
1_555 |
117 |
30 |
7877 |
1128.8 |
-8.4 |
0.417 |
17 |
4 |
0 |
0.588 |
| Average: |
1158.7 |
-7.8 |
0.458 |
18 |
4 |
0 |
0.588 |
| 3 |
7 |
|
D |
42 |
13 |
8021 |
◊ |
C |
-x,y-1/2,-z-1/2 |
3_544 |
41 |
12 |
7972 |
391.4 |
-1.9 |
0.534 |
5 |
2 |
0 |
0.006 |
| 4 |
8 |
|
B |
35 |
14 |
7877 |
◊ |
E |
x-1/2,-y-1/2,-z |
4_445 |
39 |
12 |
8072 |
371.0 |
-3.1 |
0.411 |
1 |
0 |
0 |
0.006 |
| 5 |
9 |
|
A |
39 |
14 |
8085 |
◊ |
F |
x-1/2,-y+1/2,-z |
4_455 |
46 |
16 |
7871 |
368.3 |
-1.8 |
0.518 |
4 |
2 |
0 |
0.005 |
| 6 |
10 |
|
[2BE]C:3002 |
22 |
1 |
520 |
f |
C |
x,y,z |
1_555 |
44 |
16 |
7972 |
309.9 |
-6.7 |
0.452 |
0 |
0 |
0 |
0.202 |
| 7 |
11 |
|
A |
39 |
15 |
8085 |
◊ |
E |
x-1,y,z |
1_455 |
36 |
16 |
8072 |
262.5 |
1.6 |
0.833 |
0 |
0 |
0 |
0.000 |
| 8 |
12 |
|
[2BE]A:3001 |
22 |
1 |
538 |
f |
A |
x,y,z |
1_555 |
31 |
8 |
8085 |
214.6 |
-9.9 |
0.306 |
0 |
0 |
0 |
0.239 |
| 9 |
13 |
|
[2BE]A:3001 |
21 |
1 |
538 |
◊ |
B |
x,y,z |
1_555 |
24 |
6 |
7877 |
179.9 |
-3.6 |
0.392 |
0 |
0 |
0 |
0.069 |
| 10 |
14 |
|
[BEN]B:2009 |
9 |
1 |
274 |
◊ |
B |
x,y,z |
1_555 |
28 |
14 |
7877 |
173.4 |
4.8 |
0.529 |
1 |
0 |
0 |
0.000 |
| 11 |
15 |
|
[BEN]A:2001 |
9 |
1 |
274 |
◊ |
A |
x,y,z |
1_555 |
18 |
6 |
8085 |
133.4 |
3.0 |
0.172 |
1 |
0 |
0 |
0.000 |
| 12 |
16 |
|
[BEN]B:2007 |
9 |
1 |
275 |
◊ |
E |
x-1/2,-y-1/2,-z |
4_445 |
15 |
5 |
8072 |
117.4 |
2.5 |
0.148 |
0 |
0 |
0 |
0.000 |
| 13 |
17 |
|
[2BE]C:3002 |
15 |
1 |
520 |
◊ |
D |
x,y,z |
1_555 |
15 |
5 |
8021 |
115.8 |
-4.6 |
0.257 |
0 |
0 |
0 |
0.084 |
| 14 |
18 |
|
[BEN]A:2005 |
9 |
1 |
277 |
◊ |
A |
x,y,z |
1_555 |
12 |
6 |
8085 |
114.0 |
1.5 |
0.065 |
0 |
0 |
0 |
0.000 |
| 15 |
19 |
|
[BEN]C:2004 |
9 |
1 |
276 |
f |
C |
x,y,z |
1_555 |
13 |
7 |
7972 |
112.7 |
2.4 |
0.116 |
1 |
0 |
0 |
0.000 |
| 16 |
20 |
|
A |
18 |
7 |
8085 |
◊ |
[BEN]E:2008 |
x-1,y,z |
1_455 |
9 |
1 |
278 |
105.7 |
1.6 |
0.077 |
0 |
0 |
0 |
0.000 |
| 17 |
21 |
|
[BEN]A:2001 |
9 |
1 |
274 |
f |
E |
x-1,y,z |
1_455 |
17 |
5 |
8072 |
103.4 |
1.6 |
0.077 |
1 |
0 |
0 |
0.000 |
| 18 |
22 |
|
[BEN]E:2008 |
9 |
1 |
278 |
f |
E |
x,y,z |
1_555 |
16 |
4 |
8072 |
103.1 |
1.8 |
0.074 |
1 |
0 |
0 |
0.000 |
| 19 |
23 |
|
[BEN]A:2005 |
9 |
1 |
277 |
f |
F |
x-1/2,-y+1/2,-z |
4_455 |
10 |
5 |
7871 |
92.8 |
1.6 |
0.058 |
2 |
0 |
0 |
0.000 |
| 20 |
24 |
|
[BEN]B:2007 |
8 |
1 |
275 |
f |
B |
x,y,z |
1_555 |
15 |
8 |
7877 |
83.1 |
2.3 |
0.138 |
1 |
0 |
0 |
0.000 |
| 21 |
25 |
|
D |
9 |
4 |
8021 |
◊ |
[BEN]C:2004 |
-x,y-1/2,-z-1/2 |
3_544 |
9 |
1 |
276 |
73.8 |
2.3 |
0.082 |
0 |
0 |
0 |
0.000 |
| 22 |
26 |
|
[CL]A:1001 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
12 |
8 |
8085 |
59.0 |
-7.5 |
0.000 |
0 |
0 |
0 |
0.505 |
27 |
|
[CL]B:1002 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
11 |
7 |
7877 |
55.9 |
-7.2 |
0.000 |
0 |
0 |
0 |
0.505 |
28 |
|
[CL]D:1004 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
11 |
7 |
8021 |
55.8 |
-6.8 |
0.000 |
0 |
0 |
0 |
0.505 |
29 |
|
[CL]F:1006 |
1 |
1 |
125 |
f |
F |
x,y,z |
1_555 |
10 |
6 |
7871 |
53.2 |
-7.0 |
0.000 |
0 |
0 |
0 |
0.505 |
30 |
|
[CL]C:1003 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
12 |
7 |
7972 |
52.9 |
-6.8 |
0.000 |
0 |
0 |
0 |
0.505 |
31 |
|
[CL]E:1005 |
1 |
1 |
125 |
f |
E |
x,y,z |
1_555 |
13 |
8 |
8072 |
52.9 |
-6.9 |
0.000 |
0 |
0 |
0 |
0.505 |
| Average: |
55.0 |
-7.0 |
0.000 |
0 |
0 |
0 |
0.505 |
| 23 |
32 |
|
[CL]E:1005 |
1 |
1 |
125 |
◊ |
F |
x,y,z |
1_555 |
7 |
4 |
7871 |
48.1 |
-5.8 |
0.000 |
0 |
0 |
0 |
0.230 |
33 |
|
[CL]F:1006 |
1 |
1 |
125 |
◊ |
E |
x,y,z |
1_555 |
9 |
4 |
8072 |
46.9 |
-5.7 |
0.000 |
0 |
0 |
0 |
0.230 |
34 |
|
[CL]C:1003 |
1 |
1 |
125 |
◊ |
D |
x,y,z |
1_555 |
8 |
4 |
8021 |
46.2 |
-5.7 |
0.000 |
0 |
0 |
0 |
0.230 |
35 |
|
[CL]B:1002 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
9 |
3 |
8085 |
35.9 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.230 |
36 |
|
[CL]D:1004 |
1 |
1 |
125 |
◊ |
C |
x,y,z |
1_555 |
6 |
2 |
7972 |
16.6 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.230 |
37 |
|
[CL]A:1001 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
6 |
3 |
7877 |
14.6 |
-1.4 |
0.000 |
0 |
0 |
0 |
0.230 |
| Average: |
34.7 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.230 |
| 24 |
38 |
|
[2BE]A:3001 |
2 |
1 |
538 |
f |
[CL]A:1001 |
x,y,z |
1_555 |
1 |
1 |
125 |
13.4 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.038 |
| 25 |
39 |
|
[BEN]B:2009 |
1 |
1 |
274 |
f |
A |
x,y,z |
1_555 |
2 |
1 |
8085 |
13.1 |
-0.0 |
0.325 |
0 |
0 |
0 |
0.000 |
| 26 |
40 |
|
[2BE]C:3002 |
2 |
1 |
520 |
◊ |
[CL]D:1004 |
x,y,z |
1_555 |
1 |
1 |
125 |
7.4 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.011 |
| 27 |
41 |
|
[2BE]A:3001 |
3 |
1 |
538 |
f |
[BEN]B:2009 |
x,y,z |
1_555 |
1 |
1 |
274 |
4.0 |
0.0 |
0.423 |
0 |
0 |
0 |
0.000 |
| 28 |
42 |
|
B |
1 |
1 |
7877 |
x |
B |
x-1/2,-y-1/2,-z |
4_445 |
1 |
1 |
7877 |
2.0 |
-0.0 |
0.593 |
0 |
0 |
0 |
0.000 |
| 29 |
43 |
|
F |
1 |
1 |
7871 |
x |
F |
x-1/2,-y+1/2,-z |
4_455 |
1 |
1 |
7871 |
2.0 |
0.1 |
0.786 |
0 |
0 |
0 |
0.000 |
|