## |
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 |
92 |
27 |
7154 |
◊ |
A |
x-y,x,z+1/6 |
6_555 |
76 |
23 |
7279 |
813.5 |
-5.3 |
0.504 |
12 |
0 |
0 |
0.299 |
2 |
|
B |
99 |
28 |
7193 |
◊ |
C |
x-y,x+1,z+1/6 |
6_565 |
80 |
23 |
7317 |
804.5 |
-5.0 |
0.578 |
13 |
0 |
0 |
0.299 |
Average: |
809.0 |
-5.1 |
0.541 |
13 |
0 |
0 |
0.299 |
2 |
3 |
|
B |
89 |
30 |
7193 |
◊ |
A |
x,y,z |
1_555 |
87 |
23 |
7279 |
806.7 |
-9.7 |
0.217 |
9 |
0 |
0 |
0.496 |
4 |
|
D |
85 |
28 |
7154 |
◊ |
C |
-y-1,x-y,z+1/3 |
2_455 |
86 |
23 |
7317 |
794.7 |
-10.5 |
0.180 |
9 |
0 |
0 |
0.496 |
Average: |
800.7 |
-10.1 |
0.199 |
9 |
0 |
0 |
0.496 |
3 |
5 |
|
A |
78 |
20 |
7279 |
◊ |
C |
x-y,x+1,z+1/6 |
6_565 |
78 |
20 |
7317 |
647.0 |
-8.1 |
0.375 |
12 |
0 |
0 |
0.426 |
4 |
6 |
|
B |
34 |
13 |
7193 |
◊ |
D |
x-y,x+1,z+1/6 |
6_565 |
34 |
13 |
7154 |
333.4 |
-1.6 |
0.561 |
2 |
2 |
0 |
0.000 |
5 |
7 |
|
D |
30 |
8 |
7154 |
◊ |
B |
x,y,z |
1_555 |
31 |
9 |
7193 |
264.5 |
-2.3 |
0.460 |
4 |
0 |
0 |
0.000 |
6 |
8 |
|
D |
20 |
5 |
7154 |
◊ |
A |
x,y,z |
1_555 |
22 |
8 |
7279 |
215.1 |
-1.0 |
0.499 |
5 |
0 |
0 |
0.000 |
9 |
|
B |
20 |
5 |
7193 |
◊ |
C |
-y-1,x-y,z+1/3 |
2_455 |
24 |
8 |
7317 |
205.5 |
-1.3 |
0.496 |
4 |
0 |
0 |
0.000 |
Average: |
210.3 |
-1.1 |
0.498 |
5 |
0 |
0 |
0.000 |
7 |
10 |
|
A |
24 |
8 |
7279 |
◊ |
D |
x-y,x+1,z+1/6 |
6_565 |
17 |
5 |
7154 |
170.4 |
-0.5 |
0.644 |
3 |
0 |
0 |
0.000 |
8 |
11 |
|
[PEG]C:202 |
7 |
1 |
260 |
f |
C |
x,y,z |
1_555 |
25 |
14 |
7317 |
165.4 |
3.4 |
0.441 |
1 |
0 |
0 |
0.000 |
9 |
12 |
|
[PEG]A:202 |
7 |
1 |
251 |
f |
A |
x,y,z |
1_555 |
25 |
12 |
7279 |
159.4 |
3.1 |
0.350 |
1 |
0 |
0 |
0.000 |
10 |
13 |
|
[PEG]B:202 |
7 |
1 |
262 |
◊ |
B |
x,y,z |
1_555 |
22 |
7 |
7193 |
110.9 |
2.6 |
0.362 |
1 |
0 |
0 |
0.000 |
11 |
14 |
|
[IMD]D:203 |
5 |
1 |
197 |
◊ |
D |
x,y,z |
1_555 |
18 |
6 |
7154 |
107.2 |
4.0 |
0.454 |
0 |
0 |
0 |
0.000 |
12 |
15 |
|
[PEG]A:201 |
7 |
1 |
262 |
◊ |
A |
x,y,z |
1_555 |
17 |
5 |
7279 |
107.1 |
2.5 |
0.359 |
2 |
0 |
0 |
0.000 |
13 |
16 |
|
[PEG]B:202 |
6 |
1 |
262 |
f |
D |
x,y,z |
1_555 |
19 |
7 |
7154 |
105.1 |
1.3 |
0.280 |
2 |
0 |
0 |
0.000 |
14 |
17 |
|
[PEG]C:201 |
7 |
1 |
261 |
◊ |
C |
x,y,z |
1_555 |
16 |
5 |
7317 |
104.1 |
2.2 |
0.287 |
2 |
0 |
0 |
0.000 |
15 |
18 |
|
[EDO]B:201 |
4 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
17 |
6 |
7193 |
98.7 |
3.1 |
0.511 |
2 |
0 |
0 |
0.000 |
16 |
19 |
|
[PEG]D:205 |
7 |
1 |
258 |
◊ |
D |
x,y,z |
1_555 |
17 |
4 |
7154 |
98.7 |
2.5 |
0.348 |
1 |
0 |
0 |
0.000 |
17 |
20 |
|
[IMD]D:202 |
5 |
1 |
196 |
f |
D |
x,y,z |
1_555 |
15 |
5 |
7154 |
92.7 |
3.4 |
0.294 |
0 |
0 |
0 |
0.000 |
18 |
21 |
|
[IMD]D:204 |
5 |
1 |
198 |
◊ |
D |
x,y,z |
1_555 |
14 |
6 |
7154 |
83.0 |
2.2 |
0.207 |
0 |
0 |
0 |
0.000 |
19 |
22 |
|
[EDO]D:201 |
4 |
1 |
186 |
◊ |
D |
x,y,z |
1_555 |
9 |
4 |
7154 |
80.8 |
2.4 |
0.932 |
2 |
0 |
0 |
0.000 |
20 |
23 |
|
[PEG]A:201 |
6 |
1 |
262 |
f |
B |
x,y,z |
1_555 |
10 |
4 |
7193 |
72.7 |
1.0 |
0.225 |
1 |
0 |
0 |
0.000 |
21 |
24 |
|
[PEG]D:205 |
7 |
1 |
258 |
◊ |
[PEG]C:201 |
-y-1,x-y,z+1/3 |
2_455 |
6 |
1 |
261 |
67.0 |
3.7 |
0.141 |
0 |
0 |
0 |
0.000 |
22 |
25 |
|
[NA]C:203 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
9 |
4 |
7317 |
62.3 |
-9.1 |
0.000 |
0 |
0 |
0 |
0.566 |
26 |
|
[NA]A:203 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
9 |
4 |
7279 |
57.5 |
-8.7 |
0.000 |
0 |
0 |
0 |
0.566 |
Average: |
59.9 |
-8.9 |
0.000 |
0 |
0 |
0 |
0.566 |
23 |
27 |
|
D |
11 |
4 |
7154 |
f |
[PEG]C:201 |
-y-1,x-y,z+1/3 |
2_455 |
6 |
1 |
261 |
61.7 |
1.5 |
0.260 |
1 |
0 |
0 |
0.000 |
24 |
28 |
|
[NA]B:203 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
12 |
6 |
7193 |
60.7 |
-7.5 |
0.000 |
0 |
0 |
0 |
0.271 |
25 |
29 |
|
B |
6 |
2 |
7193 |
f |
[EDO]D:201 |
x-y,x+1,z+1/6 |
6_565 |
4 |
1 |
186 |
56.0 |
0.7 |
0.414 |
0 |
0 |
0 |
0.000 |
26 |
30 |
|
C |
8 |
4 |
7317 |
◊ |
B |
-x-1,-y,z-1/2 |
4_454 |
7 |
2 |
7193 |
46.4 |
0.0 |
0.643 |
1 |
0 |
0 |
0.000 |
27 |
31 |
|
[NA]B:203 |
1 |
1 |
125 |
◊ |
D |
x-y,x+1,z+1/6 |
6_565 |
5 |
2 |
7154 |
40.9 |
-5.3 |
0.000 |
0 |
0 |
0 |
0.000 |
28 |
32 |
|
[NA]A:203 |
1 |
1 |
125 |
f |
[PEG]A:202 |
x,y,z |
1_555 |
3 |
1 |
251 |
37.6 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.220 |
33 |
|
[NA]C:203 |
1 |
1 |
125 |
f |
[PEG]C:202 |
x,y,z |
1_555 |
5 |
1 |
260 |
34.3 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.220 |
Average: |
35.9 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.220 |
29 |
34 |
|
A |
4 |
2 |
7279 |
f |
[IMD]D:203 |
x-y,x+1,z+1/6 |
6_565 |
3 |
1 |
197 |
28.9 |
0.8 |
0.215 |
0 |
0 |
0 |
0.000 |
30 |
35 |
|
[IMD]D:204 |
3 |
1 |
198 |
f |
A |
x-y,x,z+1/6 |
6_555 |
2 |
1 |
7279 |
21.2 |
-0.0 |
0.084 |
0 |
0 |
0 |
0.000 |
31 |
36 |
|
C |
2 |
1 |
7317 |
f |
[EDO]B:201 |
-x-1,-y,z-1/2 |
4_454 |
1 |
1 |
184 |
6.2 |
0.1 |
0.835 |
0 |
0 |
0 |
0.000 |
32 |
37 |
|
[PEG]D:205 |
1 |
1 |
258 |
f |
C |
-y-1,x-y,z+1/3 |
2_455 |
1 |
1 |
7317 |
1.8 |
0.1 |
0.330 |
0 |
0 |
0 |
0.000 |
|