| ## |
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 |
153 |
37 |
7848 |
◊ |
E |
x,y,z |
1_555 |
150 |
37 |
8104 |
1484.3 |
-22.1 |
0.034 |
14 |
0 |
0 |
0.611 |
2 |
|
D |
144 |
37 |
8017 |
◊ |
C |
x,y,z |
1_555 |
141 |
34 |
8068 |
1341.3 |
-19.3 |
0.058 |
13 |
0 |
0 |
0.611 |
3 |
|
B |
132 |
35 |
7931 |
◊ |
A |
x,y,z |
1_555 |
123 |
32 |
8162 |
1221.4 |
-18.0 |
0.047 |
12 |
0 |
0 |
0.611 |
| Average: |
1349.0 |
-19.8 |
0.047 |
13 |
0 |
0 |
0.611 |
| 2 |
4 |
|
E |
132 |
32 |
8104 |
◊ |
C |
x,y,z |
1_555 |
128 |
33 |
8068 |
1223.0 |
-6.0 |
0.563 |
20 |
5 |
0 |
0.589 |
5 |
|
D |
125 |
31 |
8017 |
◊ |
A |
x,y,z |
1_555 |
128 |
33 |
8162 |
1176.6 |
-8.0 |
0.413 |
20 |
4 |
0 |
0.589 |
6 |
|
F |
119 |
32 |
7848 |
◊ |
B |
x,y,z |
1_555 |
120 |
32 |
7931 |
1139.5 |
-8.4 |
0.391 |
17 |
4 |
0 |
0.589 |
| Average: |
1179.7 |
-7.4 |
0.456 |
19 |
4 |
0 |
0.589 |
| 3 |
7 |
|
C |
39 |
12 |
8068 |
◊ |
D |
-x,y-1/2,-z-1/2 |
3_544 |
42 |
13 |
8017 |
412.9 |
-1.3 |
0.606 |
5 |
2 |
0 |
0.000 |
| 4 |
8 |
|
F |
47 |
16 |
7848 |
◊ |
A |
x-1/2,-y-1/2,-z |
4_445 |
43 |
14 |
8162 |
412.3 |
-0.2 |
0.700 |
5 |
1 |
0 |
0.004 |
| 5 |
9 |
|
E |
40 |
12 |
8104 |
◊ |
B |
x-1/2,-y+1/2,-z |
4_455 |
34 |
14 |
7931 |
380.2 |
-3.6 |
0.345 |
1 |
1 |
0 |
0.000 |
| 6 |
10 |
|
[SAK]C:162 |
20 |
1 |
476 |
f |
C |
x,y,z |
1_555 |
39 |
14 |
8068 |
277.9 |
-5.5 |
0.435 |
0 |
0 |
0 |
0.207 |
| 7 |
11 |
|
E |
32 |
14 |
8104 |
◊ |
A |
x-1,y,z |
1_455 |
43 |
15 |
8162 |
268.4 |
2.0 |
0.832 |
0 |
0 |
0 |
0.000 |
| 8 |
12 |
|
[SAK]A:163 |
20 |
1 |
474 |
cf |
A |
x,y,z |
1_555 |
29 |
8 |
8162 |
201.6 |
-3.3 |
0.407 |
1 |
0 |
0 |
0.095 |
| 9 |
13 |
|
[SAK]A:163 |
19 |
1 |
474 |
◊ |
B |
x,y,z |
1_555 |
27 |
7 |
7931 |
168.1 |
-3.4 |
0.516 |
0 |
0 |
0 |
0.066 |
| 10 |
14 |
|
[BEN]E:162 |
9 |
1 |
278 |
f |
E |
x,y,z |
1_555 |
22 |
8 |
8104 |
129.1 |
2.1 |
0.133 |
3 |
0 |
0 |
0.000 |
| 11 |
15 |
|
[BEN]A:161 |
9 |
1 |
279 |
◊ |
A |
x,y,z |
1_555 |
18 |
5 |
8162 |
120.9 |
2.5 |
0.147 |
1 |
0 |
0 |
0.000 |
| 12 |
16 |
|
[BEN]E:161 |
9 |
1 |
279 |
◊ |
E |
x,y,z |
1_555 |
15 |
5 |
8104 |
118.1 |
2.6 |
0.141 |
0 |
0 |
0 |
0.000 |
| 13 |
17 |
|
E |
12 |
4 |
8104 |
f |
[BEN]A:162 |
x-1,y,z |
1_455 |
9 |
1 |
273 |
116.8 |
2.0 |
0.079 |
1 |
0 |
0 |
0.000 |
| 14 |
18 |
|
[BEN]A:162 |
9 |
1 |
273 |
◊ |
A |
x,y,z |
1_555 |
23 |
10 |
8162 |
112.5 |
2.5 |
0.142 |
1 |
0 |
0 |
0.000 |
| 15 |
19 |
|
[BEN]C:161 |
9 |
1 |
275 |
f |
C |
x,y,z |
1_555 |
14 |
8 |
8068 |
110.6 |
2.4 |
0.119 |
1 |
0 |
0 |
0.000 |
| 16 |
20 |
|
[BEN]F:161 |
9 |
1 |
276 |
◊ |
A |
x-1/2,-y-1/2,-z |
4_445 |
14 |
8 |
8162 |
110.5 |
1.8 |
0.092 |
0 |
0 |
0 |
0.000 |
| 17 |
21 |
|
[SAK]C:162 |
12 |
1 |
476 |
◊ |
D |
x,y,z |
1_555 |
13 |
3 |
8017 |
99.8 |
-1.8 |
0.463 |
0 |
0 |
0 |
0.034 |
| 18 |
22 |
|
[BEN]F:161 |
9 |
1 |
276 |
f |
F |
x,y,z |
1_555 |
10 |
4 |
7848 |
98.5 |
1.8 |
0.061 |
2 |
0 |
0 |
0.000 |
| 19 |
23 |
|
E |
17 |
6 |
8104 |
f |
[BEN]A:161 |
x-1,y,z |
1_455 |
9 |
1 |
279 |
93.3 |
1.6 |
0.084 |
1 |
0 |
0 |
0.000 |
| 20 |
24 |
|
[BEN]E:161 |
8 |
1 |
279 |
f |
B |
x-1/2,-y+1/2,-z |
4_455 |
15 |
8 |
7931 |
85.8 |
1.9 |
0.089 |
1 |
0 |
0 |
0.000 |
| 21 |
25 |
|
[BEN]C:161 |
9 |
1 |
275 |
◊ |
D |
-x,y-1/2,-z-1/2 |
3_544 |
9 |
4 |
8017 |
74.2 |
2.3 |
0.083 |
0 |
0 |
0 |
0.000 |
| 22 |
26 |
|
[BEN]E:162 |
8 |
1 |
278 |
◊ |
A |
x-1,y,z |
1_455 |
9 |
5 |
8162 |
64.4 |
1.4 |
0.083 |
0 |
0 |
0 |
0.000 |
| 23 |
27 |
|
[CL]A:160 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
11 |
7 |
8162 |
58.1 |
-7.7 |
0.000 |
0 |
0 |
0 |
1.000 |
28 |
|
[CL]D:160 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
13 |
8 |
8017 |
57.6 |
-7.2 |
0.000 |
0 |
0 |
0 |
1.000 |
29 |
|
[CL]B:160 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
10 |
6 |
7931 |
55.7 |
-7.3 |
0.000 |
0 |
0 |
0 |
1.000 |
30 |
|
[CL]F:160 |
1 |
1 |
125 |
f |
F |
x,y,z |
1_555 |
12 |
7 |
7848 |
54.6 |
-7.0 |
0.000 |
0 |
0 |
0 |
1.000 |
31 |
|
[CL]C:160 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
12 |
7 |
8068 |
54.0 |
-7.1 |
0.000 |
0 |
0 |
0 |
1.000 |
32 |
|
[CL]E:160 |
1 |
1 |
125 |
f |
E |
x,y,z |
1_555 |
12 |
7 |
8104 |
53.8 |
-6.8 |
0.000 |
0 |
0 |
0 |
1.000 |
| Average: |
55.6 |
-7.2 |
0.000 |
0 |
0 |
0 |
1.000 |
| 24 |
33 |
|
[CL]E:160 |
1 |
1 |
125 |
◊ |
F |
x,y,z |
1_555 |
8 |
4 |
7848 |
48.2 |
-5.9 |
0.000 |
0 |
0 |
0 |
0.253 |
34 |
|
[CL]F:160 |
1 |
1 |
125 |
◊ |
E |
x,y,z |
1_555 |
9 |
4 |
8104 |
46.5 |
-5.8 |
0.000 |
0 |
0 |
0 |
0.253 |
35 |
|
[CL]C:160 |
1 |
1 |
125 |
◊ |
D |
x,y,z |
1_555 |
8 |
4 |
8017 |
46.5 |
-5.7 |
0.000 |
0 |
0 |
0 |
0.253 |
36 |
|
[CL]B:160 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
9 |
3 |
8162 |
34.7 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.253 |
37 |
|
[CL]D:160 |
1 |
1 |
125 |
◊ |
C |
x,y,z |
1_555 |
6 |
3 |
8068 |
18.1 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.253 |
38 |
|
[CL]A:160 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
3 |
2 |
7931 |
8.1 |
-0.7 |
0.000 |
0 |
0 |
0 |
0.253 |
| Average: |
33.7 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.253 |
| 25 |
39 |
|
[BEN]E:162 |
5 |
1 |
278 |
f |
[BEN]A:161 |
x-1,y,z |
1_455 |
3 |
1 |
279 |
38.6 |
1.7 |
0.051 |
0 |
0 |
0 |
0.000 |
| 26 |
40 |
|
[SAK]A:163 |
4 |
1 |
474 |
f |
[CL]A:160 |
x,y,z |
1_555 |
1 |
1 |
125 |
32.0 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.092 |
| 27 |
41 |
|
[BEN]E:162 |
2 |
1 |
278 |
f |
[BEN]A:162 |
x-1,y,z |
1_455 |
3 |
1 |
273 |
21.2 |
1.4 |
0.149 |
0 |
0 |
0 |
0.000 |
| 28 |
42 |
|
B |
1 |
1 |
7931 |
x |
B |
x-1/2,-y+1/2,-z |
4_455 |
1 |
1 |
7931 |
0.9 |
-0.0 |
0.633 |
0 |
0 |
0 |
0.000 |
|