| ## |
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 |
149 |
36 |
7792 |
◊ |
E |
x,y,z |
1_555 |
142 |
36 |
8084 |
1427.7 |
-23.0 |
0.021 |
12 |
0 |
0 |
0.544 |
2 |
|
D |
150 |
38 |
8062 |
◊ |
C |
x,y,z |
1_555 |
143 |
34 |
8167 |
1343.9 |
-19.1 |
0.063 |
13 |
0 |
0 |
0.544 |
3 |
|
B |
134 |
34 |
8044 |
◊ |
A |
x,y,z |
1_555 |
130 |
35 |
8149 |
1239.1 |
-17.5 |
0.065 |
11 |
0 |
0 |
0.544 |
| Average: |
1336.9 |
-19.9 |
0.049 |
12 |
0 |
0 |
0.544 |
| 2 |
4 |
|
E |
128 |
32 |
8084 |
◊ |
C |
x,y,z |
1_555 |
130 |
33 |
8167 |
1209.0 |
-6.8 |
0.531 |
20 |
5 |
0 |
0.570 |
5 |
|
D |
129 |
33 |
8062 |
◊ |
A |
x,y,z |
1_555 |
125 |
33 |
8149 |
1201.0 |
-6.3 |
0.483 |
19 |
4 |
0 |
0.570 |
6 |
|
F |
117 |
32 |
7792 |
◊ |
B |
x,y,z |
1_555 |
120 |
32 |
8044 |
1135.8 |
-8.1 |
0.413 |
18 |
4 |
0 |
0.570 |
| Average: |
1182.0 |
-7.0 |
0.476 |
19 |
4 |
0 |
0.570 |
| 3 |
7 |
|
C |
44 |
13 |
8167 |
◊ |
D |
-x,y-1/2,-z-1/2 |
3_544 |
46 |
14 |
8062 |
416.4 |
-1.8 |
0.578 |
5 |
2 |
0 |
0.000 |
| 4 |
8 |
|
F |
43 |
15 |
7792 |
◊ |
A |
x-1/2,-y-1/2,-z |
4_445 |
41 |
13 |
8149 |
384.1 |
-1.3 |
0.530 |
4 |
1 |
0 |
0.000 |
| 5 |
9 |
|
E |
39 |
12 |
8084 |
◊ |
B |
x-1/2,-y+1/2,-z |
4_455 |
37 |
13 |
8044 |
381.5 |
-3.1 |
0.397 |
1 |
1 |
0 |
0.000 |
| 6 |
10 |
|
E |
36 |
16 |
8084 |
◊ |
A |
x-1,y,z |
1_455 |
41 |
15 |
8149 |
291.2 |
2.8 |
0.872 |
0 |
0 |
0 |
0.000 |
| 7 |
11 |
|
[AGI]C:162 |
20 |
1 |
432 |
f |
C |
x,y,z |
1_555 |
41 |
15 |
8167 |
265.4 |
-4.2 |
0.468 |
1 |
0 |
0 |
0.146 |
| 8 |
12 |
|
[AGI]A:161 |
20 |
1 |
431 |
f |
A |
x,y,z |
1_555 |
29 |
8 |
8149 |
189.7 |
-3.0 |
0.410 |
2 |
0 |
0 |
0.107 |
| 9 |
13 |
|
[BEN]B:161 |
9 |
1 |
275 |
◊ |
B |
x,y,z |
1_555 |
29 |
13 |
8044 |
185.6 |
4.6 |
0.499 |
1 |
0 |
0 |
0.000 |
| 10 |
14 |
|
[AGI]A:161 |
19 |
1 |
431 |
◊ |
B |
x,y,z |
1_555 |
20 |
7 |
8044 |
152.9 |
-2.3 |
0.487 |
1 |
0 |
0 |
0.064 |
| 11 |
15 |
|
[BEN]E:161 |
9 |
1 |
280 |
◊ |
A |
x-1,y,z |
1_455 |
17 |
5 |
8149 |
134.2 |
3.1 |
0.150 |
1 |
0 |
0 |
0.000 |
| 12 |
16 |
|
E |
15 |
5 |
8084 |
◊ |
[BEN]B:162 |
x-1/2,-y+1/2,-z |
4_455 |
9 |
1 |
279 |
116.8 |
2.5 |
0.140 |
0 |
0 |
0 |
0.000 |
| 13 |
17 |
|
[BEN]C:161 |
9 |
1 |
277 |
f |
C |
x,y,z |
1_555 |
12 |
6 |
8167 |
104.5 |
2.0 |
0.083 |
1 |
0 |
0 |
0.000 |
| 14 |
18 |
|
[BEN]E:161 |
9 |
1 |
280 |
f |
E |
x,y,z |
1_555 |
16 |
5 |
8084 |
104.2 |
2.0 |
0.086 |
1 |
0 |
0 |
0.000 |
| 15 |
19 |
|
[AGI]C:162 |
12 |
1 |
432 |
◊ |
D |
x,y,z |
1_555 |
14 |
4 |
8062 |
88.9 |
-1.9 |
0.382 |
0 |
0 |
0 |
0.037 |
| 16 |
20 |
|
[BEN]B:162 |
8 |
1 |
279 |
f |
B |
x,y,z |
1_555 |
15 |
8 |
8044 |
86.4 |
2.3 |
0.130 |
1 |
0 |
0 |
0.000 |
| 17 |
21 |
|
[BEN]C:161 |
8 |
1 |
277 |
◊ |
D |
-x,y-1/2,-z-1/2 |
3_544 |
9 |
4 |
8062 |
75.8 |
2.4 |
0.137 |
0 |
0 |
0 |
0.000 |
| 18 |
22 |
|
[CL]D:160 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
14 |
8 |
8062 |
59.4 |
-7.6 |
0.000 |
0 |
0 |
0 |
0.495 |
23 |
|
[CL]A:160 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
13 |
8 |
8149 |
58.9 |
-7.6 |
0.000 |
0 |
0 |
0 |
0.495 |
24 |
|
[CL]B:160 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
10 |
6 |
8044 |
57.4 |
-7.4 |
0.000 |
0 |
0 |
0 |
0.495 |
25 |
|
[CL]F:160 |
1 |
1 |
125 |
f |
F |
x,y,z |
1_555 |
13 |
8 |
7792 |
55.5 |
-7.1 |
0.000 |
0 |
0 |
0 |
0.495 |
26 |
|
[CL]C:160 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
14 |
8 |
8167 |
54.7 |
-7.1 |
0.000 |
0 |
0 |
0 |
0.495 |
27 |
|
[CL]E:160 |
1 |
1 |
125 |
f |
E |
x,y,z |
1_555 |
13 |
7 |
8084 |
53.7 |
-6.8 |
0.000 |
0 |
0 |
0 |
0.495 |
| Average: |
56.6 |
-7.3 |
0.000 |
0 |
0 |
0 |
0.495 |
| 19 |
28 |
|
[CL]E:160 |
1 |
1 |
125 |
◊ |
F |
x,y,z |
1_555 |
8 |
4 |
7792 |
48.0 |
-5.8 |
0.000 |
0 |
0 |
0 |
0.219 |
29 |
|
[CL]F:160 |
1 |
1 |
125 |
◊ |
E |
x,y,z |
1_555 |
9 |
4 |
8084 |
45.2 |
-5.6 |
0.000 |
0 |
0 |
0 |
0.219 |
30 |
|
[CL]C:160 |
1 |
1 |
125 |
◊ |
D |
x,y,z |
1_555 |
8 |
4 |
8062 |
44.1 |
-5.3 |
0.000 |
0 |
0 |
0 |
0.219 |
31 |
|
[CL]B:160 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
7 |
3 |
8149 |
22.2 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.219 |
32 |
|
[CL]D:160 |
1 |
1 |
125 |
◊ |
C |
x,y,z |
1_555 |
8 |
3 |
8167 |
18.8 |
-1.9 |
0.000 |
0 |
0 |
0 |
0.219 |
33 |
|
[CL]A:160 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
8044 |
8.0 |
-0.7 |
0.000 |
0 |
0 |
0 |
0.219 |
| Average: |
31.0 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.219 |
| 20 |
34 |
|
[AGI]A:161 |
4 |
1 |
431 |
f |
[CL]A:160 |
x,y,z |
1_555 |
1 |
1 |
125 |
21.2 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.064 |
| 21 |
35 |
|
[BEN]B:161 |
1 |
1 |
275 |
f |
A |
x,y,z |
1_555 |
2 |
1 |
8149 |
12.3 |
-0.2 |
0.278 |
0 |
0 |
0 |
0.005 |
| 22 |
36 |
|
[BEN]B:161 |
1 |
1 |
275 |
f |
[AGI]A:161 |
x,y,z |
1_555 |
2 |
1 |
431 |
10.0 |
0.1 |
0.414 |
0 |
0 |
0 |
0.000 |
| 23 |
37 |
|
[AGI]C:162 |
3 |
1 |
432 |
◊ |
[CL]D:160 |
x,y,z |
1_555 |
1 |
1 |
125 |
3.2 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.007 |
| 24 |
38 |
|
B |
1 |
1 |
8044 |
x |
B |
x-1/2,-y+1/2,-z |
4_455 |
1 |
1 |
8044 |
1.1 |
-0.0 |
0.625 |
0 |
0 |
0 |
0.000 |
|