| ## |
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 |
176 |
48 |
7225 |
◊ |
B |
x,y,z |
1_555 |
171 |
47 |
7308 |
1487.6 |
-18.5 |
0.505 |
9 |
2 |
0 |
1.000 |
| 2 |
2 |
|
B |
67 |
18 |
7308 |
◊ |
B |
-x+1,y,-z |
3_655 |
66 |
18 |
7308 |
609.0 |
-7.8 |
0.461 |
2 |
0 |
0 |
0.154 |
| 3 |
3 |
|
D |
39 |
11 |
7225 |
◊ |
B |
x,-y,-z |
4_555 |
38 |
11 |
7308 |
425.1 |
-9.6 |
0.070 |
1 |
0 |
0 |
0.461 |
| 4 |
4 |
|
P |
39 |
7 |
1117 |
◊ |
D |
x,y,z |
1_555 |
51 |
18 |
7225 |
386.6 |
-5.3 |
0.577 |
0 |
0 |
0 |
0.245 |
| 5 |
5 |
|
M |
36 |
6 |
1144 |
◊ |
B |
x,y,z |
1_555 |
54 |
19 |
7308 |
374.9 |
-5.2 |
0.616 |
1 |
0 |
0 |
0.261 |
| 6 |
6 |
|
B |
24 |
4 |
7308 |
◊ |
D |
-x+1/2,-y+1/2,z-1/2 |
6_554 |
28 |
11 |
7225 |
250.8 |
-0.8 |
0.634 |
1 |
0 |
0 |
0.000 |
| 7 |
7 |
|
D |
17 |
4 |
7225 |
◊ |
D |
-x,y,-z |
3_555 |
17 |
4 |
7225 |
196.7 |
-4.0 |
0.200 |
0 |
0 |
0 |
0.000 |
| 8 |
8 |
|
B |
17 |
5 |
7308 |
◊ |
B |
x,-y,-z |
4_555 |
17 |
5 |
7308 |
163.7 |
0.2 |
0.783 |
0 |
0 |
0 |
0.000 |
9 |
|
D |
18 |
6 |
7225 |
◊ |
D |
x,-y,-z |
4_555 |
18 |
6 |
7225 |
160.5 |
-0.2 |
0.742 |
0 |
0 |
0 |
0.000 |
| Average: |
162.1 |
-0.0 |
0.762 |
0 |
0 |
0 |
0.001 |
| 9 |
10 |
|
D |
18 |
7 |
7225 |
◊ |
B |
-x+1/2,-y+1/2,z-1/2 |
6_554 |
16 |
6 |
7308 |
145.2 |
-2.4 |
0.416 |
0 |
0 |
0 |
0.000 |
| 10 |
11 |
|
P |
14 |
3 |
1117 |
◊ |
P |
x,-y,-z+1 |
4_556 |
14 |
3 |
1117 |
127.8 |
-2.9 |
0.527 |
0 |
0 |
0 |
0.000 |
| 11 |
12 |
|
[LEA]M:2 |
6 |
1 |
254 |
cf |
M |
x,y,z |
1_555 |
10 |
4 |
1144 |
120.7 |
2.5 |
0.041 |
0 |
0 |
0 |
0.000 |
| 12 |
13 |
|
P |
17 |
4 |
1117 |
◊ |
B |
x,-y,-z |
4_555 |
14 |
3 |
7308 |
116.4 |
-2.8 |
0.413 |
0 |
0 |
0 |
0.253 |
14 |
|
M |
16 |
4 |
1144 |
◊ |
D |
x,-y,-z |
4_555 |
13 |
2 |
7225 |
112.7 |
-2.7 |
0.394 |
0 |
0 |
0 |
0.253 |
| Average: |
114.5 |
-2.8 |
0.404 |
0 |
0 |
0 |
0.253 |
| 13 |
15 |
|
[LEA]P:2 |
6 |
1 |
249 |
cf |
P |
x,y,z |
1_555 |
10 |
3 |
1117 |
109.3 |
2.1 |
0.031 |
1 |
0 |
0 |
0.000 |
| 14 |
16 |
|
M |
9 |
4 |
1144 |
◊ |
B |
-x+1,y,-z |
3_655 |
7 |
3 |
7308 |
75.9 |
-1.3 |
0.505 |
0 |
0 |
0 |
0.046 |
| 15 |
17 |
|
D |
5 |
3 |
7225 |
◊ |
B |
x,-y,-z+1 |
4_556 |
6 |
2 |
7308 |
69.0 |
-0.7 |
0.438 |
0 |
0 |
0 |
0.000 |
| 16 |
18 |
|
B |
10 |
4 |
7308 |
◊ |
B |
x,-y,-z+1 |
4_556 |
10 |
4 |
7308 |
54.2 |
-0.0 |
0.721 |
0 |
0 |
0 |
0.000 |
| 17 |
19 |
|
[NH2]M:10 |
1 |
1 |
117 |
cf |
M |
x,y,z |
1_555 |
5 |
2 |
1144 |
52.0 |
0.3 |
0.761 |
0 |
0 |
0 |
0.000 |
20 |
|
[NH2]P:10 |
1 |
1 |
117 |
cf |
P |
x,y,z |
1_555 |
6 |
2 |
1117 |
46.8 |
0.2 |
0.780 |
0 |
0 |
0 |
0.000 |
| Average: |
49.4 |
0.3 |
0.770 |
0 |
0 |
0 |
0.000 |
| 18 |
21 |
|
P |
6 |
2 |
1117 |
◊ |
D |
x,-y,-z+1 |
4_556 |
4 |
3 |
7225 |
49.9 |
-1.0 |
0.345 |
0 |
0 |
0 |
0.000 |
| 19 |
22 |
|
[NH2]P:10 |
1 |
1 |
117 |
◊ |
D |
x,-y,-z+1 |
4_556 |
3 |
1 |
7225 |
38.6 |
-0.1 |
0.466 |
0 |
0 |
0 |
0.000 |
| 20 |
23 |
|
D |
6 |
2 |
7225 |
◊ |
B |
-x+1,-y,z |
2_655 |
2 |
2 |
7308 |
37.4 |
-0.7 |
0.337 |
0 |
0 |
0 |
0.026 |
| 21 |
24 |
|
[LEA]P:2 |
5 |
1 |
249 |
◊ |
[LEA]P:2 |
x,-y,-z+1 |
4_556 |
5 |
1 |
249 |
35.7 |
2.2 |
1.000 |
0 |
0 |
0 |
0.000 |
| 22 |
25 |
|
D |
4 |
2 |
7225 |
x |
D |
x,y,z-1 |
1_554 |
4 |
2 |
7225 |
31.3 |
-0.1 |
0.628 |
0 |
0 |
0 |
0.000 |
| 23 |
26 |
|
[LEA]P:2 |
2 |
1 |
249 |
◊ |
P |
x,-y,-z+1 |
4_556 |
2 |
1 |
1117 |
25.1 |
-0.1 |
0.043 |
0 |
0 |
0 |
0.000 |
| 24 |
27 |
|
M |
5 |
1 |
1144 |
◊ |
B |
x,y,z-1 |
1_554 |
2 |
2 |
7308 |
19.5 |
-0.4 |
0.428 |
0 |
0 |
0 |
0.000 |
| 25 |
28 |
|
D |
3 |
1 |
7225 |
x |
D |
-x+1/2,-y+1/2,z-1/2 |
6_554 |
3 |
1 |
7225 |
19.4 |
0.4 |
0.805 |
0 |
0 |
0 |
0.000 |
| 26 |
29 |
|
B |
4 |
2 |
7308 |
◊ |
D |
x,y,z-1 |
1_554 |
2 |
1 |
7225 |
16.9 |
0.9 |
0.882 |
0 |
0 |
0 |
0.000 |
| 27 |
30 |
|
[LEA]P:2 |
2 |
1 |
249 |
◊ |
D |
x,-y,-z+1 |
4_556 |
2 |
1 |
7225 |
16.1 |
1.1 |
0.974 |
0 |
0 |
0 |
0.000 |
| 28 |
31 |
|
B |
2 |
1 |
7308 |
x |
B |
-x+1/2,-y+1/2,z-1/2 |
6_554 |
1 |
1 |
7308 |
14.0 |
0.1 |
0.591 |
0 |
0 |
0 |
0.000 |
| 29 |
32 |
|
[NH2]P:10 |
1 |
1 |
117 |
◊ |
P |
x,-y,-z+1 |
4_556 |
3 |
2 |
1117 |
13.4 |
-0.1 |
0.777 |
0 |
0 |
0 |
0.000 |
| 30 |
33 |
|
P |
1 |
1 |
1117 |
◊ |
P |
-x,-y,z |
2_555 |
1 |
1 |
1117 |
9.1 |
0.7 |
0.915 |
0 |
0 |
0 |
0.000 |
| 31 |
34 |
|
P |
1 |
1 |
1117 |
◊ |
P |
-x,y,-z+1 |
3_556 |
1 |
1 |
1117 |
8.8 |
0.6 |
0.915 |
0 |
0 |
0 |
0.000 |
| 32 |
35 |
|
[NH2]M:10 |
1 |
1 |
117 |
◊ |
B |
-x+1,y,-z |
3_655 |
3 |
1 |
7308 |
4.0 |
-0.0 |
0.763 |
0 |
0 |
0 |
0.000 |
| 33 |
36 |
|
[LEA]M:2 |
1 |
1 |
254 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
7308 |
3.5 |
0.2 |
0.916 |
0 |
0 |
0 |
0.000 |
| 34 |
37 |
|
[LEA]P:2 |
1 |
1 |
249 |
◊ |
B |
x,-y,-z |
4_555 |
1 |
1 |
7308 |
1.3 |
0.0 |
0.702 |
0 |
0 |
0 |
0.000 |
|