## |
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 |
170 |
47 |
14863 |
◊ |
B |
x,y,z |
1_555 |
166 |
47 |
14732 |
1632.6 |
-8.4 |
0.269 |
36 |
24 |
0 |
0.350 |
2 |
|
C |
130 |
37 |
14401 |
◊ |
A |
x,y,z |
1_555 |
134 |
36 |
14580 |
1284.1 |
-2.1 |
0.526 |
31 |
24 |
0 |
0.350 |
Average: |
1458.4 |
-5.3 |
0.398 |
34 |
24 |
0 |
0.350 |
2 |
3 |
|
B |
168 |
38 |
14732 |
◊ |
A |
x,y,z |
1_555 |
166 |
37 |
14580 |
1589.5 |
-8.4 |
0.239 |
25 |
24 |
0 |
0.323 |
4 |
|
D |
167 |
38 |
14863 |
◊ |
C |
x,y,z |
1_555 |
167 |
39 |
14401 |
1586.8 |
-10.0 |
0.181 |
27 |
24 |
0 |
0.323 |
Average: |
1588.1 |
-9.2 |
0.210 |
26 |
24 |
0 |
0.323 |
3 |
5 |
|
C |
64 |
14 |
14401 |
◊ |
B |
x,y,z |
1_555 |
63 |
14 |
14732 |
492.9 |
-7.1 |
0.085 |
2 |
0 |
0 |
0.075 |
6 |
|
D |
64 |
14 |
14863 |
◊ |
A |
x,y,z |
1_555 |
65 |
14 |
14580 |
488.8 |
-7.7 |
0.066 |
2 |
0 |
0 |
0.075 |
Average: |
490.9 |
-7.4 |
0.076 |
2 |
0 |
0 |
0.075 |
4 |
7 |
|
A |
46 |
13 |
14580 |
◊ |
B |
x-1/2,-y+1/2,-z |
4_455 |
47 |
14 |
14732 |
386.6 |
-1.3 |
0.493 |
4 |
4 |
0 |
0.053 |
5 |
8 |
|
B |
39 |
12 |
14732 |
◊ |
C |
x,y,z-1 |
1_554 |
29 |
10 |
14401 |
287.8 |
-0.3 |
0.376 |
4 |
0 |
0 |
0.000 |
6 |
9 |
|
D |
35 |
11 |
14863 |
◊ |
C |
-x,-y,z |
2_555 |
34 |
13 |
14401 |
275.9 |
0.9 |
0.689 |
1 |
2 |
0 |
0.000 |
7 |
10 |
|
[P6G]A:402 |
16 |
1 |
471 |
f |
A |
x,y,z |
1_555 |
30 |
17 |
14580 |
268.5 |
2.5 |
0.471 |
7 |
0 |
0 |
0.016 |
11 |
|
[P6G]B:403 |
17 |
1 |
461 |
f |
B |
x,y,z |
1_555 |
31 |
17 |
14732 |
267.1 |
2.1 |
0.448 |
5 |
0 |
0 |
0.016 |
12 |
|
[P6G]C:402 |
16 |
1 |
471 |
f |
C |
x,y,z |
1_555 |
31 |
17 |
14401 |
266.0 |
2.1 |
0.487 |
6 |
0 |
0 |
0.016 |
13 |
|
[P6G]D:402 |
16 |
1 |
468 |
f |
D |
x,y,z |
1_555 |
30 |
17 |
14863 |
264.2 |
2.0 |
0.449 |
6 |
0 |
0 |
0.016 |
Average: |
266.5 |
2.2 |
0.464 |
6 |
0 |
0 |
0.016 |
8 |
14 |
|
A |
26 |
8 |
14580 |
◊ |
[P6G]B:404 |
x-1/2,-y+1/2,-z |
4_455 |
17 |
1 |
571 |
201.6 |
-0.0 |
0.214 |
0 |
0 |
0 |
0.000 |
9 |
15 |
|
[P6G]B:404 |
18 |
1 |
571 |
f |
B |
x,y,z |
1_555 |
26 |
8 |
14732 |
199.5 |
-0.1 |
0.201 |
0 |
0 |
0 |
0.002 |
10 |
16 |
|
D |
14 |
5 |
14863 |
◊ |
A |
-x+1/2,y-1/2,-z |
3_545 |
26 |
8 |
14580 |
181.4 |
1.2 |
0.748 |
3 |
1 |
0 |
0.002 |
11 |
17 |
|
B |
19 |
6 |
14732 |
◊ |
A |
x-1/2,-y+1/2,-z |
4_455 |
17 |
6 |
14580 |
169.0 |
-0.1 |
0.549 |
3 |
0 |
0 |
0.000 |
12 |
18 |
|
C |
17 |
5 |
14401 |
◊ |
D |
x-1/2,-y+1/2,-z+1 |
4_456 |
15 |
6 |
14863 |
168.1 |
-0.6 |
0.426 |
2 |
1 |
0 |
0.000 |
13 |
19 |
|
[4SX]C:403 |
12 |
1 |
311 |
f |
C |
x,y,z |
1_555 |
31 |
14 |
14401 |
145.4 |
2.6 |
0.115 |
9 |
0 |
0 |
0.019 |
14 |
20 |
|
[PEG]C:405 |
7 |
1 |
262 |
f |
C |
x,y,z |
1_555 |
17 |
9 |
14401 |
123.3 |
3.5 |
0.385 |
2 |
0 |
0 |
0.000 |
15 |
21 |
|
B |
6 |
3 |
14732 |
◊ |
A |
-x+1/2,y-1/2,-z |
3_545 |
13 |
4 |
14580 |
94.8 |
0.1 |
0.432 |
0 |
1 |
0 |
0.000 |
16 |
22 |
|
[EDO]B:407 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
16 |
5 |
14732 |
86.2 |
2.2 |
0.259 |
1 |
0 |
0 |
0.000 |
17 |
23 |
|
[EDO]B:406 |
4 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
14 |
6 |
14732 |
85.0 |
2.5 |
0.286 |
1 |
0 |
0 |
0.000 |
18 |
24 |
|
[FE2]A:401 |
1 |
1 |
137 |
f |
A |
x,y,z |
1_555 |
13 |
9 |
14580 |
76.8 |
-16.0 |
0.000 |
0 |
0 |
0 |
0.465 |
25 |
|
[FE2]B:401 |
1 |
1 |
137 |
f |
B |
x,y,z |
1_555 |
12 |
9 |
14732 |
75.8 |
-16.0 |
0.000 |
0 |
0 |
0 |
0.465 |
26 |
|
[FE2]D:401 |
1 |
1 |
137 |
f |
D |
x,y,z |
1_555 |
12 |
9 |
14863 |
75.6 |
-15.3 |
0.000 |
0 |
0 |
0 |
0.465 |
27 |
|
[FE2]C:401 |
1 |
1 |
137 |
f |
C |
x,y,z |
1_555 |
14 |
9 |
14401 |
53.7 |
-11.0 |
0.000 |
0 |
0 |
0 |
0.465 |
Average: |
70.5 |
-14.6 |
0.000 |
0 |
0 |
0 |
0.465 |
19 |
28 |
|
[CL]D:403 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
11 |
7 |
14863 |
74.4 |
-11.5 |
0.000 |
0 |
0 |
0 |
0.352 |
29 |
|
[CL]B:405 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
12 |
7 |
14732 |
73.1 |
-12.2 |
0.000 |
0 |
0 |
0 |
0.352 |
30 |
|
[CL]A:403 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
12 |
7 |
14580 |
73.1 |
-12.1 |
0.000 |
0 |
0 |
0 |
0.352 |
31 |
|
[CL]C:404 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
12 |
7 |
14401 |
49.1 |
-8.1 |
0.000 |
0 |
0 |
0 |
0.352 |
Average: |
67.4 |
-10.9 |
0.000 |
0 |
0 |
0 |
0.352 |
20 |
32 |
|
D |
8 |
3 |
14863 |
◊ |
B |
-x,-y,z |
2_555 |
4 |
2 |
14732 |
52.5 |
0.7 |
0.755 |
2 |
2 |
0 |
0.000 |
21 |
33 |
|
[4SX]C:403 |
6 |
1 |
311 |
f |
[CL]C:404 |
x,y,z |
1_555 |
1 |
1 |
125 |
41.0 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.052 |
22 |
34 |
|
[4SX]C:403 |
4 |
1 |
311 |
f |
[FE2]C:401 |
x,y,z |
1_555 |
1 |
1 |
137 |
38.1 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.051 |
23 |
35 |
|
A |
8 |
4 |
14580 |
◊ |
[CA]B:402 |
x-1/2,-y+1/2,-z |
4_455 |
1 |
1 |
85 |
35.5 |
-5.9 |
0.000 |
0 |
0 |
0 |
0.172 |
36 |
|
[CA]B:402 |
1 |
1 |
85 |
◊ |
B |
x,y,z |
1_555 |
8 |
4 |
14732 |
35.2 |
-5.9 |
0.000 |
0 |
0 |
0 |
0.172 |
Average: |
35.3 |
-5.9 |
0.000 |
0 |
0 |
0 |
0.172 |
24 |
37 |
|
A |
3 |
1 |
14580 |
◊ |
A |
-x,-y+1,z |
2_565 |
3 |
1 |
14580 |
18.3 |
0.0 |
0.616 |
0 |
0 |
0 |
0.000 |
25 |
38 |
|
D |
1 |
1 |
14863 |
◊ |
[P6G]A:402 |
-x+1/2,y-1/2,-z |
3_545 |
1 |
1 |
471 |
0.9 |
0.0 |
0.587 |
0 |
0 |
0 |
0.000 |
|