## |
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 |
|
D |
148 |
36 |
8019 |
◊ |
C |
x,y,z |
1_555 |
155 |
40 |
8179 |
1405.0 |
-20.5 |
0.061 |
13 |
0 |
0 |
0.627 |
2 |
|
F |
150 |
35 |
7688 |
◊ |
E |
x,y,z |
1_555 |
155 |
36 |
8279 |
1393.9 |
-20.5 |
0.049 |
12 |
0 |
0 |
0.627 |
3 |
|
B |
130 |
34 |
8039 |
◊ |
A |
x,y,z |
1_555 |
124 |
31 |
8270 |
1159.4 |
-18.5 |
0.048 |
11 |
0 |
0 |
0.627 |
Average: |
1319.5 |
-19.8 |
0.053 |
12 |
0 |
0 |
0.627 |
2 |
4 |
|
E |
130 |
33 |
8279 |
◊ |
C |
x,y,z |
1_555 |
121 |
33 |
8179 |
1157.8 |
-9.3 |
0.389 |
19 |
3 |
0 |
0.626 |
5 |
|
D |
126 |
32 |
8019 |
◊ |
A |
x,y,z |
1_555 |
118 |
33 |
8270 |
1148.3 |
-7.0 |
0.492 |
19 |
4 |
0 |
0.626 |
6 |
|
F |
117 |
32 |
7688 |
◊ |
B |
x,y,z |
1_555 |
121 |
33 |
8039 |
1129.9 |
-7.5 |
0.485 |
16 |
3 |
0 |
0.626 |
Average: |
1145.4 |
-7.9 |
0.456 |
18 |
3 |
0 |
0.626 |
3 |
7 |
|
B |
38 |
15 |
8039 |
◊ |
E |
x-1/2,-y+3/2,-z+1 |
4_466 |
39 |
12 |
8279 |
386.7 |
-1.7 |
0.550 |
3 |
3 |
0 |
0.000 |
4 |
8 |
|
C |
39 |
12 |
8179 |
◊ |
D |
-x-2,y-1/2,-z+3/2 |
3_346 |
41 |
14 |
8019 |
382.9 |
-2.3 |
0.515 |
4 |
1 |
0 |
0.000 |
5 |
9 |
|
A |
42 |
13 |
8270 |
◊ |
F |
x-1/2,-y+1/2,-z+1 |
4_456 |
45 |
15 |
7688 |
376.8 |
-2.4 |
0.516 |
4 |
1 |
0 |
0.007 |
6 |
10 |
|
[BDE]C:3002 |
21 |
1 |
498 |
f |
C |
x,y,z |
1_555 |
38 |
14 |
8179 |
296.1 |
-4.1 |
0.395 |
1 |
0 |
0 |
0.155 |
7 |
11 |
|
A |
43 |
15 |
8270 |
◊ |
E |
x-1,y,z |
1_455 |
36 |
13 |
8279 |
289.9 |
2.4 |
0.867 |
0 |
0 |
0 |
0.000 |
8 |
12 |
|
[BDE]A:3001 |
21 |
1 |
507 |
f |
A |
x,y,z |
1_555 |
30 |
9 |
8270 |
200.7 |
-3.8 |
0.315 |
0 |
0 |
0 |
0.113 |
9 |
13 |
|
[BDE]A:3001 |
20 |
1 |
507 |
◊ |
B |
x,y,z |
1_555 |
29 |
6 |
8039 |
188.3 |
-2.4 |
0.476 |
0 |
0 |
0 |
0.063 |
10 |
14 |
|
[BEN]B:2006 |
9 |
1 |
283 |
◊ |
B |
x,y,z |
1_555 |
30 |
14 |
8039 |
183.6 |
5.1 |
0.528 |
1 |
0 |
0 |
0.000 |
11 |
15 |
|
[BEN]A:2004 |
9 |
1 |
280 |
◊ |
A |
x,y,z |
1_555 |
26 |
14 |
8270 |
171.6 |
5.1 |
0.523 |
1 |
0 |
0 |
0.000 |
12 |
16 |
|
[BEN]A:2001 |
9 |
1 |
282 |
f |
A |
x,y,z |
1_555 |
18 |
6 |
8270 |
147.1 |
3.7 |
0.214 |
1 |
0 |
0 |
0.000 |
13 |
17 |
|
[BEN]F:2003 |
9 |
1 |
281 |
f |
F |
x,y,z |
1_555 |
23 |
8 |
7688 |
141.1 |
4.0 |
0.324 |
1 |
0 |
0 |
0.000 |
14 |
18 |
|
[BEN]A:2005 |
9 |
1 |
282 |
◊ |
A |
x,y,z |
1_555 |
19 |
5 |
8270 |
133.2 |
3.0 |
0.160 |
1 |
0 |
0 |
0.000 |
15 |
19 |
|
[BEN]F:2002 |
9 |
1 |
281 |
◊ |
E |
x,y,z |
1_555 |
23 |
7 |
8279 |
122.0 |
1.3 |
0.108 |
2 |
0 |
0 |
0.000 |
16 |
20 |
|
[BEN]A:2007 |
9 |
1 |
280 |
◊ |
A |
x,y,z |
1_555 |
21 |
9 |
8270 |
121.8 |
2.3 |
0.125 |
0 |
0 |
0 |
0.000 |
17 |
21 |
|
[BEN]A:2007 |
9 |
1 |
280 |
f |
E |
x-1,y,z |
1_455 |
14 |
4 |
8279 |
115.2 |
3.2 |
0.170 |
1 |
0 |
0 |
0.000 |
18 |
22 |
|
[BEN]B:2008 |
9 |
1 |
284 |
◊ |
E |
x-1/2,-y+3/2,-z+1 |
4_466 |
11 |
4 |
8279 |
114.1 |
2.7 |
0.122 |
0 |
0 |
0 |
0.000 |
19 |
23 |
|
[BEN]C:2010 |
9 |
1 |
281 |
f |
C |
x,y,z |
1_555 |
13 |
7 |
8179 |
111.8 |
2.1 |
0.074 |
1 |
0 |
0 |
0.000 |
20 |
24 |
|
[BEN]F:2002 |
9 |
1 |
281 |
◊ |
F |
x,y,z |
1_555 |
12 |
6 |
7688 |
110.6 |
1.8 |
0.111 |
0 |
0 |
0 |
0.000 |
21 |
25 |
|
[BDE]C:3002 |
13 |
1 |
498 |
◊ |
D |
x,y,z |
1_555 |
14 |
5 |
8019 |
109.5 |
-1.4 |
0.331 |
0 |
0 |
0 |
0.027 |
22 |
26 |
|
[BEN]A:2009 |
9 |
1 |
281 |
f |
A |
x,y,z |
1_555 |
13 |
7 |
8270 |
108.9 |
0.6 |
0.034 |
1 |
0 |
0 |
0.000 |
23 |
27 |
|
[BEN]A:2005 |
9 |
1 |
282 |
f |
E |
x-1,y,z |
1_455 |
16 |
7 |
8279 |
107.4 |
1.9 |
0.088 |
0 |
0 |
0 |
0.000 |
24 |
28 |
|
[BEN]A:2009 |
9 |
1 |
281 |
◊ |
F |
x-1/2,-y+1/2,-z+1 |
4_456 |
10 |
4 |
7688 |
88.9 |
1.5 |
0.055 |
1 |
0 |
0 |
0.000 |
25 |
29 |
|
[BEN]B:2008 |
9 |
1 |
284 |
f |
B |
x,y,z |
1_555 |
15 |
8 |
8039 |
87.6 |
2.2 |
0.068 |
1 |
0 |
0 |
0.000 |
26 |
30 |
|
[BEN]C:2010 |
9 |
1 |
281 |
◊ |
D |
-x-2,y-1/2,-z+3/2 |
3_346 |
8 |
4 |
8019 |
74.5 |
2.2 |
0.055 |
0 |
0 |
0 |
0.000 |
27 |
31 |
|
[CL]D:1004 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
13 |
8 |
8019 |
60.5 |
-7.8 |
0.000 |
0 |
0 |
0 |
0.595 |
32 |
|
[CL]A:1001 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
13 |
7 |
8270 |
57.9 |
-7.2 |
0.000 |
0 |
0 |
0 |
0.595 |
33 |
|
[CL]B:1002 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
11 |
6 |
8039 |
55.7 |
-7.4 |
0.000 |
0 |
0 |
0 |
0.595 |
34 |
|
[CL]F:1006 |
1 |
1 |
125 |
f |
F |
x,y,z |
1_555 |
12 |
7 |
7688 |
54.0 |
-6.9 |
0.000 |
0 |
0 |
0 |
0.595 |
35 |
|
[CL]E:1005 |
1 |
1 |
125 |
f |
E |
x,y,z |
1_555 |
12 |
7 |
8279 |
53.7 |
-6.8 |
0.000 |
0 |
0 |
0 |
0.595 |
36 |
|
[CL]C:1003 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
12 |
7 |
8179 |
53.1 |
-6.8 |
0.000 |
0 |
0 |
0 |
0.595 |
Average: |
55.8 |
-7.2 |
0.000 |
0 |
0 |
0 |
0.595 |
28 |
37 |
|
[CL]E:1005 |
1 |
1 |
125 |
◊ |
F |
x,y,z |
1_555 |
8 |
4 |
7688 |
48.1 |
-5.9 |
0.000 |
0 |
0 |
0 |
0.271 |
38 |
|
[CL]F:1006 |
1 |
1 |
125 |
◊ |
E |
x,y,z |
1_555 |
9 |
4 |
8279 |
47.0 |
-5.7 |
0.000 |
0 |
0 |
0 |
0.271 |
39 |
|
[CL]C:1003 |
1 |
1 |
125 |
◊ |
D |
x,y,z |
1_555 |
9 |
4 |
8019 |
45.4 |
-5.6 |
0.000 |
0 |
0 |
0 |
0.271 |
40 |
|
[CL]B:1002 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
8 |
3 |
8270 |
34.8 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.271 |
41 |
|
[CL]A:1001 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
5 |
3 |
8039 |
12.3 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.271 |
42 |
|
[CL]D:1004 |
1 |
1 |
125 |
◊ |
C |
x,y,z |
1_555 |
3 |
2 |
8179 |
6.5 |
-0.7 |
0.000 |
0 |
0 |
0 |
0.271 |
Average: |
32.3 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.271 |
29 |
43 |
|
[BEN]F:2002 |
2 |
1 |
281 |
f |
C |
x,y,z |
1_555 |
3 |
1 |
8179 |
18.4 |
0.3 |
0.246 |
0 |
0 |
0 |
0.000 |
30 |
44 |
|
[BDE]A:3001 |
3 |
1 |
507 |
f |
[CL]A:1001 |
x,y,z |
1_555 |
1 |
1 |
125 |
18.0 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.059 |
31 |
45 |
|
[BEN]A:2004 |
1 |
1 |
280 |
f |
B |
x,y,z |
1_555 |
2 |
1 |
8039 |
12.8 |
-0.1 |
0.337 |
0 |
0 |
0 |
0.002 |
32 |
46 |
|
[BEN]B:2006 |
1 |
1 |
283 |
f |
A |
x,y,z |
1_555 |
2 |
1 |
8270 |
10.0 |
-0.0 |
0.350 |
0 |
0 |
0 |
0.000 |
33 |
47 |
|
[BEN]F:2002 |
2 |
1 |
281 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
8039 |
7.2 |
0.3 |
0.290 |
0 |
0 |
0 |
0.000 |
34 |
48 |
|
[BEN]A:2007 |
1 |
1 |
280 |
f |
[BEN]A:2005 |
x,y,z |
1_555 |
1 |
1 |
282 |
1.1 |
0.0 |
0.222 |
0 |
0 |
0 |
0.000 |
35 |
49 |
|
B |
1 |
1 |
8039 |
x |
B |
x-1/2,-y+3/2,-z+1 |
4_466 |
1 |
1 |
8039 |
0.8 |
-0.0 |
0.642 |
0 |
0 |
0 |
0.000 |
|