## |
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 |
166 |
46 |
14807 |
◊ |
B |
x,y,z |
1_555 |
166 |
47 |
14623 |
1627.7 |
-8.6 |
0.257 |
36 |
24 |
0 |
0.361 |
2 |
|
C |
128 |
36 |
14304 |
◊ |
A |
x,y,z |
1_555 |
130 |
35 |
14435 |
1212.7 |
-1.8 |
0.541 |
29 |
24 |
0 |
0.361 |
Average: |
1420.2 |
-5.2 |
0.399 |
33 |
24 |
0 |
0.361 |
2 |
3 |
|
D |
171 |
37 |
14807 |
◊ |
C |
x,y,z |
1_555 |
170 |
39 |
14304 |
1600.2 |
-6.1 |
0.343 |
28 |
24 |
0 |
0.360 |
4 |
|
B |
167 |
37 |
14623 |
◊ |
A |
x,y,z |
1_555 |
165 |
37 |
14435 |
1566.5 |
-9.3 |
0.217 |
28 |
24 |
0 |
0.360 |
Average: |
1583.3 |
-7.7 |
0.280 |
28 |
24 |
0 |
0.360 |
3 |
5 |
|
C |
63 |
14 |
14304 |
◊ |
B |
x,y,z |
1_555 |
64 |
14 |
14623 |
488.8 |
-7.0 |
0.086 |
2 |
0 |
0 |
0.080 |
6 |
|
D |
63 |
14 |
14807 |
◊ |
A |
x,y,z |
1_555 |
64 |
14 |
14435 |
485.8 |
-7.0 |
0.086 |
2 |
0 |
0 |
0.080 |
Average: |
487.3 |
-7.0 |
0.086 |
2 |
0 |
0 |
0.080 |
4 |
7 |
|
A |
46 |
13 |
14435 |
◊ |
B |
x-1/2,-y+1/2,-z |
4_455 |
45 |
14 |
14623 |
387.7 |
-1.3 |
0.492 |
4 |
4 |
0 |
0.024 |
5 |
8 |
|
B |
41 |
12 |
14623 |
◊ |
C |
x,y,z-1 |
1_554 |
29 |
10 |
14304 |
272.8 |
-1.3 |
0.230 |
2 |
0 |
0 |
0.000 |
6 |
9 |
|
[P6G]A:402 |
16 |
1 |
468 |
f |
A |
x,y,z |
1_555 |
31 |
17 |
14435 |
270.9 |
2.7 |
0.505 |
7 |
0 |
0 |
0.021 |
10 |
|
[P6G]B:403 |
18 |
1 |
468 |
f |
B |
x,y,z |
1_555 |
31 |
17 |
14623 |
269.0 |
2.2 |
0.441 |
7 |
0 |
0 |
0.021 |
11 |
|
[P6G]C:402 |
18 |
1 |
465 |
f |
C |
x,y,z |
1_555 |
31 |
17 |
14304 |
268.9 |
2.3 |
0.466 |
7 |
0 |
0 |
0.021 |
12 |
|
[P6G]D:402 |
16 |
1 |
464 |
f |
D |
x,y,z |
1_555 |
31 |
17 |
14807 |
265.9 |
2.2 |
0.498 |
6 |
0 |
0 |
0.021 |
Average: |
268.7 |
2.3 |
0.478 |
7 |
0 |
0 |
0.021 |
7 |
13 |
|
D |
35 |
10 |
14807 |
◊ |
C |
-x,-y,z |
2_555 |
30 |
12 |
14304 |
258.1 |
0.9 |
0.686 |
1 |
2 |
0 |
0.000 |
8 |
14 |
|
A |
27 |
8 |
14435 |
◊ |
[P6G]B:404 |
x-1/2,-y+1/2,-z |
4_455 |
16 |
1 |
573 |
203.3 |
0.1 |
0.242 |
0 |
0 |
0 |
0.000 |
9 |
15 |
|
[P6G]B:404 |
18 |
1 |
573 |
f |
B |
x,y,z |
1_555 |
27 |
8 |
14623 |
200.9 |
-0.2 |
0.208 |
0 |
0 |
0 |
0.003 |
10 |
16 |
|
D |
13 |
5 |
14807 |
◊ |
A |
-x+1/2,y-1/2,-z |
3_545 |
27 |
8 |
14435 |
170.5 |
1.0 |
0.729 |
3 |
1 |
0 |
0.000 |
11 |
17 |
|
B |
18 |
6 |
14623 |
◊ |
A |
x-1/2,-y+1/2,-z |
4_455 |
17 |
5 |
14435 |
169.8 |
0.3 |
0.609 |
3 |
0 |
0 |
0.000 |
12 |
18 |
|
C |
16 |
5 |
14304 |
◊ |
D |
x-1/2,-y+1/2,-z+1 |
4_456 |
15 |
6 |
14807 |
163.7 |
-0.6 |
0.398 |
2 |
1 |
0 |
0.012 |
13 |
19 |
|
[4NC]C:403 |
11 |
1 |
288 |
f |
C |
x,y,z |
1_555 |
32 |
14 |
14304 |
159.6 |
2.9 |
0.136 |
6 |
0 |
0 |
0.000 |
20 |
|
[4NC]D:404 |
11 |
1 |
287 |
f |
D |
x,y,z |
1_555 |
32 |
14 |
14807 |
138.2 |
2.9 |
0.238 |
5 |
0 |
0 |
0.000 |
21 |
|
[4NC]A:403 |
11 |
1 |
289 |
f |
A |
x,y,z |
1_555 |
31 |
14 |
14435 |
138.0 |
2.9 |
0.219 |
6 |
0 |
0 |
0.000 |
22 |
|
[4NC]B:406 |
11 |
1 |
290 |
f |
B |
x,y,z |
1_555 |
31 |
14 |
14623 |
134.5 |
3.1 |
0.233 |
5 |
0 |
0 |
0.000 |
Average: |
142.5 |
2.9 |
0.206 |
6 |
0 |
0 |
0.000 |
14 |
23 |
|
[PEG]D:403 |
7 |
1 |
265 |
f |
D |
x,y,z |
1_555 |
14 |
5 |
14807 |
110.0 |
2.2 |
0.241 |
1 |
0 |
0 |
0.000 |
15 |
24 |
|
[PEG]B:405 |
7 |
1 |
268 |
◊ |
B |
x,y,z |
1_555 |
16 |
7 |
14623 |
105.4 |
2.6 |
0.347 |
1 |
0 |
0 |
0.000 |
16 |
25 |
|
B |
6 |
3 |
14623 |
◊ |
A |
-x+1/2,y-1/2,-z |
3_545 |
12 |
3 |
14435 |
90.6 |
0.1 |
0.387 |
0 |
1 |
0 |
0.000 |
17 |
26 |
|
C |
14 |
4 |
14304 |
◊ |
[PEG]D:403 |
x-1/2,-y+1/2,-z+1 |
4_456 |
4 |
1 |
265 |
72.5 |
2.3 |
0.444 |
0 |
0 |
0 |
0.000 |
18 |
27 |
|
[FE2]C:401 |
1 |
1 |
137 |
f |
C |
x,y,z |
1_555 |
13 |
8 |
14304 |
55.3 |
-11.2 |
0.000 |
0 |
0 |
0 |
0.370 |
28 |
|
[FE2]D:401 |
1 |
1 |
137 |
f |
D |
x,y,z |
1_555 |
13 |
9 |
14807 |
54.6 |
-10.6 |
0.000 |
0 |
0 |
0 |
0.370 |
29 |
|
[FE2]A:401 |
1 |
1 |
137 |
f |
A |
x,y,z |
1_555 |
13 |
8 |
14435 |
54.2 |
-10.5 |
0.000 |
0 |
0 |
0 |
0.370 |
30 |
|
[FE2]B:401 |
1 |
1 |
137 |
f |
B |
x,y,z |
1_555 |
12 |
8 |
14623 |
53.8 |
-10.4 |
0.000 |
0 |
0 |
0 |
0.370 |
Average: |
54.5 |
-10.7 |
0.000 |
0 |
0 |
0 |
0.370 |
19 |
31 |
|
[CL]B:407 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
12 |
7 |
14623 |
50.0 |
-8.1 |
0.000 |
0 |
0 |
0 |
0.219 |
32 |
|
[CL]A:404 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
11 |
6 |
14435 |
49.2 |
-8.1 |
0.000 |
0 |
0 |
0 |
0.219 |
33 |
|
[CL]D:405 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
11 |
6 |
14807 |
49.0 |
-8.0 |
0.000 |
0 |
0 |
0 |
0.219 |
Average: |
49.4 |
-8.1 |
0.000 |
0 |
0 |
0 |
0.219 |
20 |
34 |
|
D |
6 |
3 |
14807 |
◊ |
B |
-x,-y,z |
2_555 |
3 |
2 |
14623 |
47.8 |
0.9 |
0.820 |
1 |
2 |
0 |
0.000 |
21 |
35 |
|
[4NC]C:403 |
4 |
1 |
288 |
f |
[FE2]C:401 |
x,y,z |
1_555 |
1 |
1 |
137 |
40.5 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.129 |
36 |
|
[4NC]A:403 |
4 |
1 |
289 |
f |
[FE2]A:401 |
x,y,z |
1_555 |
1 |
1 |
137 |
38.6 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.129 |
37 |
|
[4NC]B:406 |
4 |
1 |
290 |
f |
[FE2]B:401 |
x,y,z |
1_555 |
1 |
1 |
137 |
38.1 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.129 |
38 |
|
[4NC]D:404 |
4 |
1 |
287 |
f |
[FE2]D:401 |
x,y,z |
1_555 |
1 |
1 |
137 |
37.9 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.129 |
Average: |
38.8 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.129 |
22 |
39 |
|
[CL]B:407 |
1 |
1 |
125 |
f |
[4NC]B:406 |
x,y,z |
1_555 |
5 |
1 |
290 |
39.1 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.088 |
40 |
|
[CL]D:405 |
1 |
1 |
125 |
f |
[4NC]D:404 |
x,y,z |
1_555 |
5 |
1 |
287 |
38.1 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.088 |
41 |
|
[CL]A:404 |
1 |
1 |
125 |
f |
[4NC]A:403 |
x,y,z |
1_555 |
5 |
1 |
289 |
37.1 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.088 |
Average: |
38.1 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.088 |
23 |
42 |
|
[PEG]B:405 |
2 |
1 |
268 |
f |
A |
x,y,z |
1_555 |
6 |
2 |
14435 |
35.8 |
1.0 |
0.501 |
0 |
0 |
0 |
0.000 |
24 |
43 |
|
[CA]B:402 |
1 |
1 |
85 |
◊ |
B |
x,y,z |
1_555 |
8 |
4 |
14623 |
35.1 |
-6.0 |
0.000 |
0 |
0 |
0 |
0.078 |
44 |
|
A |
8 |
4 |
14435 |
◊ |
[CA]B:402 |
x-1/2,-y+1/2,-z |
4_455 |
1 |
1 |
85 |
34.9 |
-5.9 |
0.000 |
0 |
0 |
0 |
0.078 |
Average: |
35.0 |
-5.9 |
0.000 |
0 |
0 |
0 |
0.078 |
25 |
45 |
|
A |
5 |
3 |
14435 |
◊ |
A |
-x,-y+1,z |
2_565 |
5 |
3 |
14435 |
30.6 |
0.4 |
0.725 |
0 |
0 |
0 |
0.000 |
|