## |
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 |
136 |
33 |
17518 |
◊ |
A |
x,y,z |
1_555 |
135 |
32 |
17447 |
1270.5 |
-0.5 |
0.640 |
33 |
9 |
0 |
0.141 |
2 |
2 |
|
B |
69 |
22 |
17518 |
◊ |
A |
x-1,y,z |
1_455 |
73 |
22 |
17447 |
637.7 |
1.1 |
0.699 |
9 |
4 |
0 |
0.000 |
3 |
3 |
|
B |
65 |
20 |
17518 |
x |
B |
-x,y-1/2,-z+1 |
2_546 |
75 |
25 |
17518 |
633.1 |
-5.4 |
0.113 |
4 |
5 |
0 |
0.000 |
4 |
4 |
|
A |
56 |
19 |
17447 |
◊ |
B |
x,y,z-1 |
1_554 |
65 |
22 |
17518 |
585.4 |
2.0 |
0.666 |
9 |
8 |
0 |
0.000 |
5 |
5 |
|
A |
26 |
9 |
17447 |
x |
A |
-x,y-1/2,-z |
2_545 |
29 |
12 |
17447 |
258.8 |
-2.4 |
0.301 |
0 |
0 |
0 |
0.000 |
6 |
6 |
|
[PGE]B:409 |
10 |
1 |
329 |
f |
B |
x,y,z |
1_555 |
31 |
12 |
17518 |
191.0 |
4.9 |
0.320 |
4 |
0 |
0 |
0.000 |
7 |
7 |
|
[PEG]A:405 |
7 |
1 |
253 |
f |
A |
x,y,z |
1_555 |
23 |
10 |
17447 |
140.8 |
2.7 |
0.293 |
3 |
0 |
0 |
0.000 |
8 |
8 |
|
[PEG]B:407 |
7 |
1 |
262 |
◊ |
B |
x,y,z |
1_555 |
20 |
6 |
17518 |
138.2 |
5.9 |
0.578 |
2 |
0 |
0 |
0.000 |
9 |
9 |
|
[PEG]A:406 |
7 |
1 |
255 |
f |
A |
x,y,z |
1_555 |
20 |
6 |
17447 |
137.1 |
4.9 |
0.450 |
3 |
0 |
0 |
0.000 |
10 |
10 |
|
A |
21 |
8 |
17447 |
◊ |
B |
-x,y-1/2,-z |
2_545 |
17 |
8 |
17518 |
115.8 |
-1.8 |
0.286 |
0 |
0 |
0 |
0.000 |
11 |
11 |
|
[EDO]B:414 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
20 |
7 |
17518 |
112.2 |
3.7 |
0.495 |
4 |
0 |
0 |
0.000 |
12 |
12 |
|
[PEG]B:410 |
6 |
1 |
263 |
f |
B |
x,y,z |
1_555 |
12 |
4 |
17518 |
86.5 |
1.9 |
0.270 |
0 |
0 |
0 |
0.000 |
13 |
13 |
|
[ACE]A:400 |
3 |
1 |
172 |
cf |
A |
x,y,z |
1_555 |
15 |
5 |
17447 |
83.1 |
-1.4 |
0.634 |
0 |
0 |
0 |
0.012 |
14 |
14 |
|
B |
12 |
3 |
17518 |
◊ |
A |
-x+1,y-1/2,-z+1 |
2_646 |
6 |
3 |
17447 |
83.0 |
-1.4 |
0.198 |
0 |
0 |
0 |
0.000 |
15 |
15 |
|
A |
7 |
4 |
17447 |
x |
A |
-x+1,y-1/2,-z+1 |
2_646 |
12 |
5 |
17447 |
80.4 |
1.5 |
0.819 |
0 |
1 |
0 |
0.000 |
16 |
16 |
|
[ACE]B:400 |
3 |
1 |
169 |
cf |
B |
x,y,z |
1_555 |
12 |
5 |
17518 |
75.2 |
-1.2 |
0.615 |
0 |
0 |
0 |
0.010 |
17 |
17 |
|
[CL]B:416 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
11 |
6 |
17518 |
69.0 |
-9.1 |
0.000 |
0 |
0 |
0 |
0.078 |
18 |
18 |
|
B |
9 |
4 |
17518 |
◊ |
[PGE]B:409 |
-x,y-1/2,-z+1 |
2_546 |
4 |
1 |
329 |
66.8 |
1.8 |
0.328 |
1 |
0 |
0 |
0.000 |
19 |
19 |
|
[PEG]B:408 |
5 |
1 |
258 |
f |
B |
x,y,z |
1_555 |
6 |
3 |
17518 |
64.8 |
0.3 |
0.141 |
0 |
0 |
0 |
0.000 |
20 |
20 |
|
B |
6 |
3 |
17518 |
◊ |
A |
-x,y-1/2,-z |
2_545 |
10 |
4 |
17447 |
64.1 |
-1.3 |
0.191 |
0 |
0 |
0 |
0.000 |
21 |
21 |
|
[CA]B:406 |
1 |
1 |
85 |
f |
B |
x,y,z |
1_555 |
24 |
10 |
17518 |
55.9 |
-11.6 |
0.000 |
0 |
0 |
0 |
0.100 |
22 |
22 |
|
[CA]A:403 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
12 |
6 |
17447 |
55.0 |
-12.0 |
0.000 |
0 |
0 |
0 |
0.103 |
23 |
23 |
|
[ACE]B:400 |
2 |
1 |
169 |
◊ |
B |
-x,y-1/2,-z+1 |
2_546 |
8 |
3 |
17518 |
52.5 |
-0.8 |
0.612 |
0 |
0 |
0 |
0.000 |
24 |
24 |
|
[CA]A:404 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
17 |
8 |
17447 |
48.7 |
-9.5 |
0.000 |
0 |
0 |
0 |
0.081 |
25 |
25 |
|
[CA]B:411 |
1 |
1 |
85 |
f |
B |
-x,y-1/2,-z+1 |
2_546 |
12 |
5 |
17518 |
42.8 |
-8.9 |
0.000 |
0 |
0 |
0 |
0.076 |
26 |
26 |
|
B |
5 |
4 |
17518 |
f |
[CA]A:408 |
x-1,y,z |
1_455 |
1 |
1 |
85 |
42.3 |
-9.2 |
0.000 |
0 |
0 |
0 |
0.079 |
27 |
27 |
|
[CA]B:412 |
1 |
1 |
85 |
f |
B |
x,y,z |
1_555 |
8 |
5 |
17518 |
41.5 |
-8.5 |
0.000 |
0 |
0 |
0 |
0.073 |
28 |
28 |
|
[PEG]B:410 |
6 |
1 |
263 |
◊ |
A |
x-1,y,z |
1_455 |
8 |
3 |
17447 |
41.5 |
1.3 |
0.235 |
1 |
0 |
0 |
0.000 |
29 |
29 |
|
A |
7 |
4 |
17447 |
f |
[CA]B:413 |
-x,y-1/2,-z |
2_545 |
1 |
1 |
85 |
38.8 |
-8.3 |
0.000 |
0 |
0 |
0 |
0.071 |
30 |
30 |
|
[CA]B:403 |
1 |
1 |
85 |
f |
B |
x,y,z |
1_555 |
7 |
2 |
17518 |
36.8 |
-7.4 |
0.000 |
0 |
0 |
0 |
0.063 |
31 |
31 |
|
[CA]A:407 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
11 |
3 |
17447 |
35.1 |
-6.3 |
0.000 |
0 |
0 |
0 |
0.103 |
32 |
|
[CA]B:405 |
1 |
1 |
85 |
f |
B |
x,y,z |
1_555 |
11 |
3 |
17518 |
32.7 |
-5.7 |
0.000 |
0 |
0 |
0 |
0.103 |
Average: |
33.9 |
-6.0 |
0.000 |
0 |
0 |
0 |
0.103 |
32 |
33 |
|
[CA]B:405 |
1 |
1 |
85 |
◊ |
A |
x,y,z |
1_555 |
10 |
3 |
17447 |
31.6 |
-5.5 |
0.000 |
0 |
0 |
0 |
0.090 |
34 |
|
[CA]A:407 |
1 |
1 |
85 |
◊ |
B |
x,y,z |
1_555 |
8 |
3 |
17518 |
30.8 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.090 |
Average: |
31.2 |
-5.3 |
0.000 |
0 |
0 |
0 |
0.090 |
33 |
35 |
|
B |
3 |
2 |
17518 |
◊ |
[PEG]B:408 |
-x,y-1/2,-z+1 |
2_546 |
3 |
1 |
258 |
27.6 |
0.5 |
0.234 |
0 |
0 |
0 |
0.000 |
34 |
36 |
|
[PEG]B:407 |
2 |
1 |
262 |
f |
A |
x-1,y,z |
1_455 |
4 |
2 |
17447 |
26.8 |
-0.5 |
0.193 |
0 |
0 |
0 |
0.004 |
35 |
37 |
|
[CA]B:413 |
1 |
1 |
85 |
◊ |
B |
x,y,z |
1_555 |
3 |
2 |
17518 |
26.6 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.000 |
36 |
38 |
|
[CA]B:412 |
1 |
1 |
85 |
◊ |
A |
x-1,y,z |
1_455 |
2 |
1 |
17447 |
22.0 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.000 |
37 |
39 |
|
A |
4 |
3 |
17447 |
◊ |
[CA]B:403 |
x,y,z-1 |
1_554 |
1 |
1 |
85 |
21.2 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.000 |
38 |
40 |
|
[CA]B:411 |
1 |
1 |
85 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
17518 |
20.8 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.000 |
39 |
41 |
|
B |
2 |
2 |
17518 |
◊ |
[PEG]A:406 |
x-1,y,z |
1_455 |
3 |
1 |
255 |
15.3 |
0.1 |
0.188 |
0 |
0 |
0 |
0.000 |
40 |
42 |
|
[CA]B:417 |
1 |
1 |
85 |
◊ |
B |
x,y,z |
1_555 |
2 |
2 |
17518 |
8.4 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.000 |
41 |
43 |
|
[CA]B:417 |
1 |
1 |
85 |
f |
A |
x-1,y,z |
1_455 |
3 |
1 |
17447 |
8.3 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.010 |
42 |
44 |
|
[PEG]B:410 |
3 |
1 |
263 |
f |
[CA]B:412 |
x,y,z |
1_555 |
1 |
1 |
85 |
5.7 |
-0.7 |
0.000 |
0 |
0 |
0 |
0.011 |
45 |
|
[CA]B:417 |
1 |
1 |
85 |
f |
[PEG]A:406 |
x-1,y,z |
1_455 |
1 |
1 |
255 |
4.9 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.011 |
Average: |
5.3 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.011 |
43 |
46 |
|
[ACE]B:400 |
1 |
1 |
169 |
◊ |
[PGE]B:409 |
-x,y-1/2,-z+1 |
2_546 |
2 |
1 |
329 |
4.0 |
0.1 |
0.294 |
0 |
0 |
0 |
0.000 |
|