| ## |
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 |
|
B |
55 |
18 |
6529 |
◊ |
A |
x-1/2,-y-1/2,-z |
4_445 |
56 |
18 |
6535 |
561.2 |
2.7 |
0.667 |
16 |
0 |
0 |
0.000 |
| 2 |
2 |
|
A |
39 |
9 |
6535 |
◊ |
B |
-x,y-1/2,-z-1/2 |
3_544 |
41 |
9 |
6529 |
385.8 |
-1.4 |
0.344 |
4 |
1 |
0 |
0.000 |
| 3 |
3 |
|
B |
34 |
11 |
6529 |
◊ |
A |
x,y,z |
1_555 |
36 |
13 |
6535 |
286.1 |
2.1 |
0.665 |
5 |
0 |
0 |
0.000 |
4 |
|
A |
30 |
10 |
6535 |
◊ |
B |
-x+1/2,-y,z-1/2 |
2_554 |
36 |
13 |
6529 |
281.1 |
2.5 |
0.694 |
5 |
0 |
0 |
0.000 |
| Average: |
283.6 |
2.3 |
0.679 |
5 |
0 |
0 |
0.000 |
| 4 |
5 |
|
B |
24 |
7 |
6529 |
◊ |
A |
-x+1/2,-y,z-1/2 |
2_554 |
22 |
8 |
6535 |
171.9 |
0.3 |
0.510 |
2 |
0 |
0 |
0.000 |
6 |
|
A |
22 |
7 |
6535 |
◊ |
B |
x,y,z-1 |
1_554 |
21 |
8 |
6529 |
159.8 |
-0.1 |
0.474 |
2 |
0 |
0 |
0.000 |
| Average: |
165.8 |
0.1 |
0.492 |
2 |
0 |
0 |
0.000 |
| 5 |
7 |
|
[DMS]B:206 |
4 |
1 |
203 |
f |
B |
x,y,z |
1_555 |
21 |
10 |
6529 |
124.7 |
3.2 |
0.457 |
0 |
0 |
0 |
0.000 |
| 6 |
8 |
|
[DMS]A:206 |
4 |
1 |
207 |
◊ |
A |
x,y,z |
1_555 |
19 |
10 |
6535 |
118.1 |
1.7 |
0.341 |
0 |
0 |
0 |
0.000 |
| 7 |
9 |
|
[CPT]A:201 |
3 |
1 |
214 |
f |
A |
x,y,z |
1_555 |
15 |
7 |
6535 |
114.1 |
-21.9 |
0.000 |
0 |
0 |
0 |
0.055 |
| 8 |
10 |
|
[DMS]A:203 |
4 |
1 |
204 |
◊ |
A |
x,y,z |
1_555 |
21 |
10 |
6535 |
113.4 |
2.6 |
0.456 |
0 |
0 |
0 |
0.000 |
| 9 |
11 |
|
[CPT]B:202 |
2 |
1 |
174 |
f |
B |
x,y,z |
1_555 |
14 |
7 |
6529 |
97.4 |
-22.4 |
0.498 |
0 |
0 |
0 |
0.064 |
| 10 |
12 |
|
[DMS]B:208 |
4 |
1 |
208 |
◊ |
B |
x,y,z |
1_555 |
17 |
6 |
6529 |
96.4 |
2.9 |
0.406 |
1 |
0 |
0 |
0.000 |
| 11 |
13 |
|
[CPT]B:201 |
2 |
1 |
175 |
f |
B |
x,y,z |
1_555 |
16 |
6 |
6529 |
94.4 |
-19.0 |
0.771 |
0 |
0 |
0 |
0.054 |
| 12 |
14 |
|
A |
10 |
3 |
6535 |
◊ |
[DMS]B:207 |
-x,y-1/2,-z-1/2 |
3_544 |
4 |
1 |
206 |
92.2 |
2.1 |
0.430 |
0 |
0 |
0 |
0.000 |
| 13 |
15 |
|
[DMS]B:205 |
4 |
1 |
208 |
◊ |
B |
x,y,z |
1_555 |
14 |
7 |
6529 |
91.7 |
1.8 |
0.320 |
1 |
0 |
0 |
0.000 |
| 14 |
16 |
|
[CPT]A:202 |
2 |
1 |
173 |
f |
A |
x,y,z |
1_555 |
18 |
6 |
6535 |
91.0 |
-17.2 |
0.860 |
0 |
0 |
0 |
0.043 |
| 15 |
17 |
|
[DMS]A:204 |
4 |
1 |
206 |
◊ |
A |
x,y,z |
1_555 |
16 |
4 |
6535 |
87.8 |
2.1 |
0.343 |
0 |
0 |
0 |
0.000 |
| 16 |
18 |
|
[DMS]B:204 |
4 |
1 |
207 |
◊ |
B |
x,y,z |
1_555 |
12 |
4 |
6529 |
86.8 |
2.2 |
0.419 |
0 |
0 |
0 |
0.000 |
| 17 |
19 |
|
[DMS]B:203 |
4 |
1 |
206 |
◊ |
B |
x,y,z |
1_555 |
14 |
3 |
6529 |
86.7 |
1.1 |
0.278 |
0 |
0 |
0 |
0.000 |
| 18 |
20 |
|
[DMS]A:205 |
4 |
1 |
208 |
◊ |
A |
x,y,z |
1_555 |
15 |
4 |
6535 |
84.0 |
2.8 |
0.471 |
0 |
0 |
0 |
0.000 |
| 19 |
21 |
|
B |
7 |
2 |
6529 |
◊ |
A |
x-1/2,-y-1/2,-z+1 |
4_446 |
7 |
2 |
6535 |
68.3 |
-1.8 |
0.113 |
0 |
0 |
0 |
0.000 |
| 20 |
22 |
|
[DMS]B:207 |
3 |
1 |
206 |
◊ |
B |
x,y,z |
1_555 |
7 |
2 |
6529 |
65.5 |
2.2 |
0.539 |
1 |
0 |
0 |
0.000 |
| 21 |
23 |
|
A |
11 |
4 |
6535 |
x |
A |
x,y,z-1 |
1_554 |
6 |
2 |
6535 |
54.7 |
0.4 |
0.534 |
0 |
0 |
0 |
0.000 |
24 |
|
B |
8 |
3 |
6529 |
x |
B |
x,y,z-1 |
1_554 |
6 |
2 |
6529 |
52.0 |
0.1 |
0.465 |
0 |
0 |
0 |
0.000 |
| Average: |
53.3 |
0.2 |
0.500 |
0 |
0 |
0 |
0.000 |
| 22 |
25 |
|
[DMS]B:208 |
3 |
1 |
208 |
f |
A |
x-1/2,-y-1/2,-z+1 |
4_446 |
8 |
4 |
6535 |
46.9 |
0.4 |
0.297 |
0 |
0 |
0 |
0.000 |
| 23 |
26 |
|
[DMS]B:204 |
2 |
1 |
207 |
◊ |
[DMS]B:203 |
x,y,z |
1_555 |
3 |
1 |
206 |
46.7 |
1.4 |
0.217 |
0 |
0 |
0 |
0.000 |
| 24 |
27 |
|
[DMS]A:206 |
3 |
1 |
207 |
f |
[DMS]A:203 |
x,y,z |
1_555 |
2 |
1 |
204 |
46.1 |
2.2 |
0.390 |
0 |
0 |
0 |
0.000 |
| 25 |
28 |
|
[DMS]B:205 |
3 |
1 |
208 |
f |
A |
-x+1/2,-y,z-1/2 |
2_554 |
7 |
2 |
6535 |
34.0 |
0.3 |
0.321 |
1 |
0 |
0 |
0.000 |
| 26 |
29 |
|
[DMS]A:205 |
3 |
1 |
208 |
f |
B |
x,y,z |
1_555 |
3 |
1 |
6529 |
32.0 |
0.4 |
0.168 |
0 |
0 |
0 |
0.000 |
| 27 |
30 |
|
A |
4 |
1 |
6535 |
◊ |
[DMS]B:205 |
-x,y-1/2,-z-1/2 |
3_544 |
2 |
1 |
208 |
23.0 |
0.7 |
0.500 |
0 |
0 |
0 |
0.000 |
| 28 |
31 |
|
[CPT]A:201 |
1 |
1 |
214 |
◊ |
B |
-x,y-1/2,-z-1/2 |
3_544 |
3 |
2 |
6529 |
16.2 |
-1.4 |
0.000 |
0 |
0 |
0 |
0.000 |
| 29 |
32 |
|
[DMS]A:205 |
1 |
1 |
208 |
◊ |
B |
-x+1/2,-y,z-1/2 |
2_554 |
2 |
2 |
6529 |
12.4 |
0.7 |
0.641 |
0 |
0 |
0 |
0.000 |
| 30 |
33 |
|
A |
3 |
2 |
6535 |
x |
A |
x-1/2,-y-1/2,-z |
4_445 |
4 |
2 |
6535 |
12.0 |
0.3 |
0.644 |
0 |
0 |
0 |
0.000 |
34 |
|
B |
2 |
1 |
6529 |
x |
B |
-x,y-1/2,-z+1/2 |
3_545 |
1 |
1 |
6529 |
7.2 |
0.2 |
0.743 |
0 |
0 |
0 |
0.000 |
| Average: |
9.6 |
0.2 |
0.693 |
0 |
0 |
0 |
0.000 |
| 31 |
35 |
|
[DMS]B:204 |
1 |
1 |
207 |
f |
B |
x,y,z-1 |
1_554 |
1 |
1 |
6529 |
6.9 |
0.4 |
0.452 |
0 |
0 |
0 |
0.000 |
| 32 |
36 |
|
[DMS]B:203 |
1 |
1 |
206 |
f |
A |
x,y,z |
1_555 |
1 |
1 |
6535 |
4.8 |
0.2 |
0.430 |
0 |
0 |
0 |
0.000 |
| 33 |
37 |
|
[DMS]B:207 |
1 |
1 |
206 |
f |
A |
-x+1/2,-y,z-1/2 |
2_554 |
4 |
3 |
6535 |
4.5 |
0.1 |
0.375 |
0 |
0 |
0 |
0.000 |
| 34 |
38 |
|
[CPT]A:202 |
1 |
1 |
173 |
f |
[CPT]A:201 |
x,y,z |
1_555 |
1 |
1 |
214 |
3.9 |
-1.5 |
0.000 |
0 |
0 |
0 |
0.004 |
| 35 |
39 |
|
[DMS]A:204 |
2 |
1 |
206 |
f |
B |
-x+1/2,-y,z-1/2 |
2_554 |
1 |
1 |
6529 |
3.6 |
0.2 |
0.561 |
0 |
0 |
0 |
0.000 |
| 36 |
40 |
|
B |
1 |
1 |
6529 |
f |
[DMS]A:206 |
-x+1/2,-y,z-1/2 |
2_554 |
1 |
1 |
207 |
1.0 |
0.0 |
0.356 |
0 |
0 |
0 |
0.000 |
| 37 |
41 |
|
[DMS]A:206 |
1 |
1 |
207 |
◊ |
B |
-x+1/2,-y,z-1/2 |
2_554 |
1 |
1 |
6529 |
0.5 |
0.0 |
0.400 |
0 |
0 |
0 |
0.000 |
| 38 |
42 |
|
A |
1 |
1 |
6535 |
◊ |
[CPT]B:202 |
-x,y-1/2,-z-1/2 |
3_544 |
1 |
1 |
174 |
0.3 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.000 |
|