## |
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 |
|
E |
192 |
57 |
13531 |
◊ |
A |
x,y,z |
1_555 |
174 |
42 |
13739 |
1872.8 |
-22.8 |
0.125 |
24 |
4 |
0 |
1.000 |
2 |
|
F |
192 |
58 |
13758 |
◊ |
B |
x,y,z |
1_555 |
172 |
42 |
13567 |
1860.1 |
-22.1 |
0.145 |
22 |
4 |
0 |
1.000 |
3 |
|
E |
175 |
43 |
13531 |
◊ |
C |
x,y,z |
1_555 |
195 |
59 |
13729 |
1858.5 |
-23.0 |
0.134 |
21 |
4 |
0 |
1.000 |
4 |
|
D |
174 |
42 |
13621 |
◊ |
B |
x,y,z |
1_555 |
197 |
60 |
13567 |
1852.8 |
-21.8 |
0.132 |
24 |
5 |
0 |
1.000 |
5 |
|
F |
175 |
42 |
13758 |
◊ |
D |
x,y,z |
1_555 |
197 |
59 |
13621 |
1852.7 |
-23.2 |
0.123 |
22 |
4 |
0 |
1.000 |
6 |
|
C |
172 |
43 |
13729 |
◊ |
A |
x,y,z |
1_555 |
189 |
58 |
13739 |
1804.1 |
-24.8 |
0.079 |
21 |
3 |
0 |
1.000 |
Average: |
1850.2 |
-23.0 |
0.123 |
22 |
4 |
0 |
1.000 |
2 |
7 |
|
E |
82 |
23 |
13531 |
◊ |
D |
x,y,z |
1_555 |
86 |
25 |
13621 |
799.0 |
-1.9 |
0.748 |
9 |
11 |
0 |
0.105 |
8 |
|
F |
87 |
24 |
13758 |
◊ |
C |
x,y,z |
1_555 |
85 |
22 |
13729 |
781.9 |
-4.3 |
0.640 |
7 |
11 |
0 |
0.105 |
9 |
|
B |
83 |
23 |
13567 |
◊ |
A |
x,y,z |
1_555 |
81 |
22 |
13739 |
771.4 |
-3.7 |
0.622 |
7 |
11 |
0 |
0.105 |
Average: |
784.1 |
-3.3 |
0.670 |
8 |
11 |
0 |
0.105 |
3 |
10 |
|
E |
75 |
17 |
13531 |
◊ |
B |
x,y,z |
1_555 |
75 |
17 |
13567 |
730.9 |
-10.3 |
0.184 |
2 |
0 |
0 |
0.141 |
11 |
|
D |
76 |
17 |
13621 |
◊ |
C |
x,y,z |
1_555 |
76 |
17 |
13729 |
725.9 |
-10.2 |
0.204 |
2 |
0 |
0 |
0.141 |
12 |
|
F |
77 |
17 |
13758 |
◊ |
A |
x,y,z |
1_555 |
79 |
17 |
13739 |
725.8 |
-10.3 |
0.214 |
3 |
0 |
0 |
0.141 |
Average: |
727.6 |
-10.3 |
0.201 |
2 |
0 |
0 |
0.141 |
4 |
13 |
|
F |
27 |
8 |
13758 |
◊ |
A |
-x+1/2,y-1/2,-z+1 |
3_546 |
32 |
10 |
13739 |
248.2 |
-0.4 |
0.676 |
2 |
2 |
0 |
0.000 |
5 |
14 |
|
D |
23 |
9 |
13621 |
◊ |
E |
x-1/2,-y+1/2,-z+2 |
4_457 |
32 |
11 |
13531 |
231.3 |
0.2 |
0.712 |
1 |
2 |
0 |
0.000 |
6 |
15 |
|
A |
27 |
9 |
13739 |
◊ |
D |
x,y,z-1 |
1_554 |
29 |
11 |
13621 |
212.0 |
-1.8 |
0.518 |
0 |
0 |
0 |
0.000 |
7 |
16 |
|
F |
30 |
8 |
13758 |
◊ |
D |
-x+1/2,y-1/2,-z+2 |
3_547 |
25 |
7 |
13621 |
199.4 |
-0.4 |
0.693 |
4 |
0 |
0 |
0.000 |
8 |
17 |
|
B |
24 |
6 |
13567 |
◊ |
D |
x,y,z-1 |
1_554 |
17 |
5 |
13621 |
161.3 |
-0.8 |
0.601 |
1 |
0 |
0 |
0.000 |
9 |
18 |
|
B |
23 |
8 |
13567 |
◊ |
C |
x-1/2,-y+1/2,-z+1 |
4_456 |
17 |
7 |
13729 |
150.9 |
1.3 |
0.811 |
3 |
4 |
0 |
0.000 |
10 |
19 |
|
D |
16 |
4 |
13621 |
◊ |
E |
-x+1/2,y-1/2,-z+2 |
3_547 |
14 |
3 |
13531 |
144.6 |
-2.0 |
0.357 |
0 |
0 |
0 |
0.000 |
11 |
20 |
|
C |
17 |
6 |
13729 |
◊ |
C |
-x+1,-y,z |
2_655 |
18 |
6 |
13729 |
124.8 |
2.7 |
0.906 |
2 |
0 |
0 |
0.000 |
12 |
21 |
|
F |
14 |
4 |
13758 |
◊ |
B |
-x+1/2,y-1/2,-z+2 |
3_547 |
12 |
3 |
13567 |
113.0 |
-0.1 |
0.679 |
0 |
0 |
0 |
0.000 |
13 |
22 |
|
[PEG]F:266 |
7 |
1 |
262 |
f |
F |
x,y,z |
1_555 |
20 |
7 |
13758 |
109.5 |
0.8 |
0.194 |
3 |
0 |
0 |
1.000 |
14 |
23 |
|
[PEG]C:267 |
7 |
1 |
261 |
◊ |
C |
x,y,z |
1_555 |
16 |
4 |
13729 |
102.8 |
1.9 |
0.278 |
0 |
0 |
0 |
0.000 |
15 |
24 |
|
[PEG]B:266 |
7 |
1 |
263 |
◊ |
A |
x,y,z |
1_555 |
15 |
4 |
13739 |
101.8 |
1.7 |
0.235 |
0 |
0 |
0 |
0.000 |
16 |
25 |
|
[PEG]B:267 |
7 |
1 |
261 |
◊ |
B |
x,y,z |
1_555 |
16 |
5 |
13567 |
99.3 |
1.4 |
0.214 |
1 |
0 |
0 |
0.000 |
17 |
26 |
|
B |
8 |
4 |
13567 |
◊ |
A |
x-1/2,-y+1/2,-z+1 |
4_456 |
11 |
5 |
13739 |
94.8 |
1.5 |
0.846 |
2 |
3 |
0 |
0.000 |
18 |
27 |
|
F |
12 |
4 |
13758 |
◊ |
E |
x-1/2,-y+1/2,-z+2 |
4_457 |
9 |
4 |
13531 |
92.5 |
-0.1 |
0.675 |
2 |
2 |
0 |
0.000 |
19 |
28 |
|
[PEG]C:268 |
6 |
1 |
261 |
f |
C |
x,y,z |
1_555 |
13 |
5 |
13729 |
88.0 |
3.1 |
0.385 |
1 |
0 |
0 |
0.000 |
20 |
29 |
|
D |
6 |
2 |
13621 |
◊ |
A |
x,y,z |
1_555 |
6 |
2 |
13739 |
86.6 |
-1.5 |
0.234 |
0 |
0 |
0 |
0.018 |
30 |
|
F |
6 |
2 |
13758 |
◊ |
E |
x,y,z |
1_555 |
6 |
2 |
13531 |
85.6 |
-1.4 |
0.248 |
0 |
0 |
0 |
0.018 |
31 |
|
C |
6 |
2 |
13729 |
◊ |
B |
x,y,z |
1_555 |
6 |
2 |
13567 |
84.2 |
-1.4 |
0.257 |
0 |
0 |
0 |
0.018 |
Average: |
85.5 |
-1.4 |
0.247 |
0 |
0 |
0 |
0.018 |
21 |
32 |
|
[PEG]C:268 |
7 |
1 |
261 |
◊ |
A |
x,y,z |
1_555 |
13 |
7 |
13739 |
85.2 |
2.6 |
0.325 |
0 |
0 |
0 |
0.000 |
22 |
33 |
|
[PEG]F:267 |
7 |
1 |
258 |
◊ |
F |
x,y,z |
1_555 |
14 |
6 |
13758 |
84.4 |
3.0 |
0.315 |
0 |
0 |
0 |
0.000 |
23 |
34 |
|
[PEG]B:267 |
6 |
1 |
261 |
◊ |
A |
x,y,z |
1_555 |
13 |
3 |
13739 |
83.0 |
1.4 |
0.253 |
0 |
0 |
0 |
0.000 |
24 |
35 |
|
[PEG]F:266 |
7 |
1 |
262 |
◊ |
D |
x,y,z |
1_555 |
10 |
4 |
13621 |
82.6 |
1.8 |
0.253 |
0 |
0 |
0 |
0.000 |
25 |
36 |
|
[EDO]D:266 |
4 |
1 |
184 |
◊ |
D |
x,y,z |
1_555 |
14 |
4 |
13621 |
78.2 |
1.8 |
0.257 |
0 |
0 |
0 |
0.000 |
26 |
37 |
|
[PEG]F:267 |
5 |
1 |
258 |
◊ |
D |
x,y,z |
1_555 |
12 |
7 |
13621 |
72.6 |
2.4 |
0.402 |
0 |
0 |
0 |
0.000 |
27 |
38 |
|
A |
7 |
2 |
13739 |
◊ |
E |
x,y,z-1 |
1_554 |
5 |
3 |
13531 |
70.3 |
-1.3 |
0.268 |
0 |
0 |
0 |
0.000 |
28 |
39 |
|
F |
7 |
2 |
13758 |
◊ |
E |
-x+1/2,y-1/2,-z+2 |
3_547 |
12 |
5 |
13531 |
69.7 |
-0.5 |
0.529 |
0 |
0 |
0 |
0.000 |
29 |
40 |
|
[PEG]C:267 |
4 |
1 |
261 |
f |
F |
x,y,z |
1_555 |
13 |
3 |
13758 |
69.4 |
0.5 |
0.291 |
0 |
0 |
0 |
0.000 |
30 |
41 |
|
[PEG]B:266 |
6 |
1 |
263 |
f |
B |
x,y,z |
1_555 |
11 |
4 |
13567 |
68.0 |
1.7 |
0.274 |
0 |
0 |
0 |
0.000 |
31 |
42 |
|
[EDO]C:266 |
4 |
1 |
184 |
◊ |
F |
x,y,z |
1_555 |
13 |
3 |
13758 |
66.5 |
1.3 |
0.233 |
0 |
0 |
0 |
0.000 |
32 |
43 |
|
[EDO]C:266 |
4 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
8 |
3 |
13729 |
59.2 |
1.0 |
0.708 |
0 |
0 |
0 |
0.000 |
33 |
44 |
|
[EDO]D:266 |
4 |
1 |
184 |
f |
E |
x,y,z |
1_555 |
6 |
3 |
13531 |
47.4 |
0.8 |
0.679 |
0 |
0 |
0 |
0.000 |
34 |
45 |
|
[PEG]F:267 |
3 |
1 |
258 |
◊ |
[PEG]F:266 |
x,y,z |
1_555 |
4 |
1 |
262 |
38.0 |
1.8 |
0.178 |
0 |
0 |
0 |
0.000 |
35 |
46 |
|
C |
6 |
2 |
13729 |
◊ |
B |
-x+1/2,y-1/2,-z+2 |
3_547 |
4 |
2 |
13567 |
37.3 |
-0.2 |
0.459 |
0 |
1 |
0 |
0.000 |
36 |
47 |
|
D |
5 |
3 |
13621 |
◊ |
C |
x-1/2,-y+1/2,-z+2 |
4_457 |
5 |
2 |
13729 |
31.7 |
0.2 |
0.583 |
0 |
0 |
0 |
0.000 |
37 |
48 |
|
F |
3 |
1 |
13758 |
◊ |
A |
x-1/2,-y+1/2,-z+1 |
4_456 |
5 |
3 |
13739 |
27.7 |
-0.2 |
0.460 |
0 |
0 |
0 |
0.000 |
38 |
49 |
|
D |
4 |
2 |
13621 |
◊ |
B |
-x+1/2,y-1/2,-z+2 |
3_547 |
4 |
2 |
13567 |
27.2 |
0.7 |
0.649 |
0 |
0 |
0 |
0.000 |
39 |
50 |
|
C |
2 |
1 |
13729 |
◊ |
B |
-x+1/2,y-1/2,-z+1 |
3_546 |
3 |
1 |
13567 |
24.4 |
1.1 |
0.888 |
1 |
1 |
0 |
0.000 |
40 |
51 |
|
B |
1 |
1 |
13567 |
◊ |
C |
x-1/2,-y+1/2,-z+2 |
4_457 |
3 |
1 |
13729 |
16.7 |
0.8 |
0.867 |
0 |
0 |
0 |
0.000 |
41 |
52 |
|
[PEG]B:267 |
2 |
1 |
261 |
f |
D |
x,y,z-1 |
1_554 |
2 |
1 |
13621 |
14.9 |
-0.2 |
0.282 |
0 |
0 |
0 |
0.100 |
42 |
53 |
|
D |
2 |
2 |
13621 |
x |
D |
-x+1/2,y-1/2,-z+2 |
3_547 |
2 |
2 |
13621 |
14.7 |
-0.0 |
0.507 |
0 |
0 |
0 |
0.000 |
43 |
54 |
|
B |
1 |
1 |
13567 |
◊ |
E |
x-1/2,-y+1/2,-z+2 |
4_457 |
3 |
1 |
13531 |
14.6 |
0.7 |
0.888 |
0 |
0 |
0 |
0.000 |
44 |
55 |
|
F |
4 |
2 |
13758 |
◊ |
E |
-x+1/2,y-1/2,-z+1 |
3_546 |
2 |
1 |
13531 |
13.2 |
0.2 |
0.746 |
0 |
0 |
0 |
0.000 |
45 |
56 |
|
C |
2 |
2 |
13729 |
◊ |
D |
-x+1/2,y-1/2,-z+2 |
3_547 |
1 |
1 |
13621 |
11.9 |
0.2 |
0.578 |
0 |
0 |
0 |
0.000 |
46 |
57 |
|
[PEG]F:267 |
1 |
1 |
258 |
f |
B |
x,y,z |
1_555 |
1 |
1 |
13567 |
1.1 |
-0.0 |
0.275 |
0 |
0 |
0 |
0.000 |
|