| ## |
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 |
169 |
44 |
12497 |
◊ |
E |
x,y,z |
1_555 |
157 |
41 |
12715 |
1612.9 |
-30.1 |
0.009 |
28 |
1 |
0 |
1.000 |
2 |
|
B |
163 |
43 |
12616 |
◊ |
A |
x,y,z |
1_555 |
160 |
40 |
12509 |
1579.3 |
-30.3 |
0.009 |
27 |
0 |
0 |
1.000 |
3 |
|
D |
157 |
40 |
12587 |
◊ |
C |
x,y,z |
1_555 |
153 |
40 |
12502 |
1535.1 |
-23.5 |
0.047 |
29 |
0 |
0 |
1.000 |
| Average: |
1575.8 |
-28.0 |
0.022 |
28 |
0 |
0 |
1.000 |
| 2 |
4 |
|
E |
166 |
42 |
12715 |
◊ |
D |
x,y,z |
1_555 |
164 |
43 |
12587 |
1559.7 |
-18.6 |
0.171 |
25 |
2 |
0 |
1.000 |
5 |
|
B |
164 |
43 |
12616 |
◊ |
A |
y,x,-z |
4_555 |
171 |
43 |
12509 |
1523.2 |
-18.9 |
0.172 |
27 |
2 |
0 |
1.000 |
6 |
|
F |
155 |
41 |
12497 |
◊ |
C |
x,y,z |
1_555 |
160 |
43 |
12502 |
1474.7 |
-18.3 |
0.148 |
26 |
2 |
0 |
1.000 |
| Average: |
1519.2 |
-18.6 |
0.164 |
26 |
2 |
0 |
1.000 |
| 3 |
7 |
|
F |
69 |
18 |
12497 |
◊ |
D |
x,y,z |
1_555 |
72 |
18 |
12587 |
671.3 |
-13.9 |
0.037 |
8 |
0 |
0 |
0.225 |
8 |
|
E |
69 |
18 |
12715 |
◊ |
C |
x,y,z |
1_555 |
73 |
18 |
12502 |
665.3 |
-13.9 |
0.038 |
10 |
0 |
0 |
0.225 |
9 |
|
B |
71 |
18 |
12616 |
◊ |
B |
y,x,-z |
4_555 |
71 |
18 |
12616 |
662.9 |
-14.6 |
0.030 |
8 |
0 |
0 |
0.225 |
10 |
|
A |
72 |
18 |
12509 |
◊ |
A |
y,x,-z |
4_555 |
71 |
18 |
12509 |
650.3 |
-13.2 |
0.051 |
8 |
0 |
0 |
0.225 |
| Average: |
662.4 |
-13.9 |
0.039 |
9 |
0 |
0 |
0.225 |
| 4 |
11 |
|
F |
76 |
25 |
12497 |
◊ |
B |
x,y,z |
1_555 |
70 |
18 |
12616 |
668.6 |
1.1 |
0.841 |
7 |
4 |
0 |
0.000 |
| 5 |
12 |
|
E |
48 |
13 |
12715 |
◊ |
A |
x,y,z-1 |
1_554 |
43 |
13 |
12509 |
443.3 |
6.0 |
0.914 |
12 |
7 |
0 |
0.000 |
| 6 |
13 |
|
C |
43 |
17 |
12502 |
◊ |
B |
-y+1,x-y+1,z-1/3 |
2_664 |
38 |
19 |
12616 |
357.4 |
0.4 |
0.772 |
4 |
0 |
0 |
0.000 |
| 7 |
14 |
|
A |
36 |
11 |
12509 |
◊ |
A |
y,x,-z+1 |
4_556 |
36 |
11 |
12509 |
336.4 |
-5.1 |
0.245 |
4 |
0 |
0 |
0.000 |
| 8 |
15 |
|
D |
33 |
12 |
12587 |
◊ |
B |
-y+1,x-y+1,z-1/3 |
2_664 |
33 |
12 |
12616 |
326.7 |
4.3 |
0.932 |
6 |
7 |
0 |
0.000 |
16 |
|
C |
32 |
12 |
12502 |
◊ |
A |
-y+1,x-y+1,z-1/3 |
2_664 |
31 |
13 |
12509 |
298.8 |
3.6 |
0.919 |
4 |
7 |
0 |
0.000 |
| Average: |
312.7 |
4.0 |
0.925 |
5 |
7 |
0 |
0.000 |
| 9 |
17 |
|
C |
36 |
11 |
12502 |
◊ |
F |
-y+1,x-y+1,z-1/3 |
2_664 |
31 |
9 |
12497 |
317.9 |
4.5 |
0.949 |
5 |
5 |
0 |
0.000 |
| 10 |
18 |
|
D |
15 |
5 |
12587 |
◊ |
D |
y,x,-z-1 |
4_554 |
16 |
5 |
12587 |
176.8 |
5.5 |
0.986 |
0 |
0 |
0 |
0.000 |
| 11 |
19 |
|
[PEG]F:301 |
7 |
1 |
258 |
◊ |
F |
x,y,z |
1_555 |
24 |
9 |
12497 |
172.8 |
3.4 |
0.441 |
2 |
0 |
0 |
0.000 |
| 12 |
20 |
|
[PEG]C:301 |
7 |
1 |
260 |
◊ |
C |
x,y,z |
1_555 |
29 |
11 |
12502 |
172.2 |
3.4 |
0.468 |
2 |
0 |
0 |
0.000 |
| 13 |
21 |
|
[PEG]E:301 |
7 |
1 |
257 |
◊ |
E |
x,y,z |
1_555 |
32 |
12 |
12715 |
169.1 |
3.3 |
0.492 |
2 |
0 |
0 |
0.000 |
| 14 |
22 |
|
[PEG]A:300 |
7 |
1 |
253 |
◊ |
A |
x,y,z |
1_555 |
33 |
12 |
12509 |
166.2 |
3.0 |
0.486 |
3 |
0 |
0 |
0.000 |
| 15 |
23 |
|
[PEG]B:301 |
7 |
1 |
251 |
◊ |
B |
x,y,z |
1_555 |
33 |
13 |
12616 |
165.8 |
3.2 |
0.506 |
3 |
0 |
0 |
0.000 |
| 16 |
24 |
|
[PEG]D:301 |
7 |
1 |
257 |
◊ |
D |
x,y,z |
1_555 |
27 |
10 |
12587 |
164.6 |
3.3 |
0.465 |
2 |
0 |
0 |
0.000 |
| 17 |
25 |
|
[PEG]C:300 |
7 |
1 |
255 |
f |
C |
x,y,z |
1_555 |
28 |
13 |
12502 |
163.9 |
2.6 |
0.368 |
1 |
0 |
0 |
0.000 |
| 18 |
26 |
|
[PEG]E:300 |
7 |
1 |
252 |
f |
E |
x,y,z |
1_555 |
31 |
14 |
12715 |
163.4 |
2.3 |
0.361 |
1 |
0 |
0 |
0.000 |
| 19 |
27 |
|
[PEG]B:300 |
7 |
1 |
253 |
f |
B |
x,y,z |
1_555 |
31 |
15 |
12616 |
161.7 |
2.4 |
0.366 |
0 |
0 |
0 |
0.000 |
| 20 |
28 |
|
[PEG]F:300 |
7 |
1 |
251 |
f |
F |
x,y,z |
1_555 |
26 |
11 |
12497 |
151.5 |
3.3 |
0.447 |
1 |
0 |
0 |
0.000 |
| 21 |
29 |
|
E |
17 |
9 |
12715 |
◊ |
B |
x,y,z |
1_555 |
18 |
8 |
12616 |
142.0 |
0.9 |
0.784 |
1 |
2 |
0 |
0.000 |
| 22 |
30 |
|
E |
11 |
3 |
12715 |
◊ |
E |
y,x,-z-1 |
4_554 |
11 |
3 |
12715 |
115.9 |
-3.2 |
0.110 |
0 |
0 |
0 |
0.000 |
| 23 |
31 |
|
C |
10 |
4 |
12502 |
◊ |
E |
-y+1,x-y+1,z+2/3 |
2_665 |
8 |
4 |
12715 |
79.7 |
-2.3 |
0.177 |
0 |
0 |
0 |
0.000 |
| 24 |
32 |
|
E |
6 |
3 |
12715 |
◊ |
F |
x,y,z-1 |
1_554 |
11 |
4 |
12497 |
77.2 |
-0.5 |
0.517 |
0 |
0 |
0 |
0.000 |
| 25 |
33 |
|
D |
4 |
2 |
12587 |
◊ |
F |
x,y,z-1 |
1_554 |
10 |
5 |
12497 |
51.3 |
1.8 |
0.906 |
0 |
0 |
0 |
0.000 |
| 26 |
34 |
|
[PEG]A:300 |
3 |
1 |
253 |
f |
A |
y,x,-z |
4_555 |
4 |
2 |
12509 |
47.9 |
0.5 |
0.214 |
0 |
0 |
0 |
0.000 |
| 27 |
35 |
|
[PEG]B:301 |
5 |
1 |
251 |
f |
B |
y,x,-z |
4_555 |
4 |
2 |
12616 |
46.7 |
-0.7 |
0.073 |
0 |
0 |
0 |
0.025 |
| 28 |
36 |
|
[PEG]E:301 |
4 |
1 |
257 |
f |
C |
x,y,z |
1_555 |
4 |
2 |
12502 |
45.1 |
0.4 |
0.171 |
0 |
0 |
0 |
0.000 |
| 29 |
37 |
|
[PEG]D:301 |
5 |
1 |
257 |
f |
F |
x,y,z |
1_555 |
5 |
3 |
12497 |
44.1 |
0.4 |
0.164 |
0 |
0 |
0 |
0.000 |
| 30 |
38 |
|
[PEG]F:301 |
3 |
1 |
258 |
f |
D |
x,y,z |
1_555 |
4 |
2 |
12587 |
42.7 |
-0.4 |
0.152 |
0 |
0 |
0 |
0.100 |
| 31 |
39 |
|
[PEG]C:301 |
5 |
1 |
260 |
f |
E |
x,y,z |
1_555 |
4 |
2 |
12715 |
41.8 |
-0.7 |
0.084 |
0 |
0 |
0 |
0.022 |
| 32 |
40 |
|
B |
5 |
2 |
12616 |
◊ |
A |
x,y,z-1 |
1_554 |
3 |
2 |
12509 |
27.8 |
0.7 |
0.832 |
0 |
0 |
0 |
0.000 |
| 33 |
41 |
|
D |
4 |
2 |
12587 |
◊ |
C |
x,y,z-1 |
1_554 |
2 |
1 |
12502 |
22.1 |
0.6 |
0.750 |
0 |
0 |
0 |
0.000 |
| 34 |
42 |
|
C |
2 |
1 |
12502 |
◊ |
E |
-y+1,x-y+1,z-1/3 |
2_664 |
3 |
2 |
12715 |
14.0 |
0.3 |
0.756 |
0 |
0 |
0 |
0.000 |
| 35 |
43 |
|
F |
1 |
1 |
12497 |
◊ |
B |
y,x,-z |
4_555 |
1 |
1 |
12616 |
0.1 |
-0.0 |
0.652 |
0 |
0 |
0 |
0.000 |
|