## |
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 |
461 |
112 |
23893 |
◊ |
A |
x,y,z |
1_555 |
467 |
129 |
19263 |
4370.1 |
-54.6 |
0.028 |
30 |
17 |
0 |
0.510 |
2 |
|
D |
461 |
116 |
23667 |
◊ |
C |
x,y,z |
1_555 |
465 |
126 |
19001 |
4351.4 |
-53.8 |
0.036 |
31 |
16 |
0 |
0.510 |
Average: |
4360.7 |
-54.2 |
0.032 |
31 |
17 |
0 |
0.510 |
2 |
3 |
|
D |
314 |
76 |
23667 |
◊ |
B |
x,y,z |
1_555 |
299 |
77 |
23893 |
2862.6 |
-20.5 |
0.462 |
31 |
30 |
0 |
0.666 |
3 |
4 |
|
D |
144 |
36 |
23667 |
◊ |
A |
x,y,z |
1_555 |
145 |
37 |
19263 |
1294.6 |
-17.7 |
0.125 |
5 |
6 |
0 |
0.302 |
5 |
|
B |
139 |
34 |
23893 |
◊ |
C |
x,y,z |
1_555 |
147 |
38 |
19001 |
1260.3 |
-17.6 |
0.169 |
4 |
4 |
0 |
0.302 |
Average: |
1277.4 |
-17.6 |
0.147 |
5 |
5 |
0 |
0.302 |
4 |
6 |
|
[ICS]A:502 |
17 |
1 |
489 |
f |
A |
x,y,z |
1_555 |
46 |
17 |
19263 |
319.5 |
-20.0 |
0.717 |
0 |
0 |
0 |
0.335 |
7 |
|
[ICS]C:502 |
17 |
1 |
486 |
f |
C |
x,y,z |
1_555 |
51 |
18 |
19001 |
316.1 |
-22.4 |
0.477 |
1 |
0 |
0 |
0.335 |
Average: |
317.8 |
-21.2 |
0.597 |
1 |
0 |
0 |
0.335 |
5 |
8 |
|
B |
27 |
8 |
23893 |
◊ |
C |
x,y,z-1 |
1_554 |
32 |
9 |
19001 |
249.4 |
-1.7 |
0.546 |
0 |
0 |
0 |
0.000 |
9 |
|
A |
30 |
10 |
19263 |
◊ |
D |
x,y,z-1 |
1_554 |
20 |
5 |
23667 |
209.2 |
-3.6 |
0.240 |
0 |
0 |
0 |
0.000 |
Average: |
229.3 |
-2.6 |
0.393 |
0 |
0 |
0 |
0.000 |
6 |
10 |
|
A |
28 |
9 |
19263 |
◊ |
C |
x,y,z-1 |
1_554 |
27 |
10 |
19001 |
211.3 |
0.6 |
0.796 |
1 |
3 |
0 |
0.000 |
7 |
11 |
|
[HCA]C:501 |
13 |
1 |
342 |
f |
C |
x,y,z |
1_555 |
32 |
16 |
19001 |
202.7 |
1.2 |
0.450 |
2 |
0 |
0 |
0.000 |
8 |
12 |
|
[HCA]A:501 |
13 |
1 |
341 |
f |
A |
x,y,z |
1_555 |
29 |
15 |
19263 |
198.4 |
0.3 |
0.439 |
4 |
0 |
0 |
0.021 |
9 |
13 |
|
[CLF]B:601 |
12 |
1 |
451 |
f |
A |
x,y,z |
1_555 |
28 |
10 |
19263 |
182.8 |
-18.7 |
0.110 |
0 |
0 |
0 |
0.272 |
14 |
|
[CLF]D:601 |
12 |
1 |
455 |
f |
C |
x,y,z |
1_555 |
29 |
11 |
19001 |
181.6 |
-18.2 |
0.133 |
0 |
0 |
0 |
0.272 |
Average: |
182.2 |
-18.5 |
0.121 |
0 |
0 |
0 |
0.272 |
10 |
15 |
|
[CLF]B:601 |
12 |
1 |
451 |
◊ |
B |
x,y,z |
1_555 |
25 |
11 |
23893 |
181.3 |
-18.5 |
0.107 |
0 |
0 |
0 |
0.132 |
16 |
|
[CLF]D:601 |
12 |
1 |
455 |
◊ |
D |
x,y,z |
1_555 |
22 |
11 |
23667 |
180.3 |
-17.6 |
0.077 |
0 |
0 |
0 |
0.132 |
Average: |
180.8 |
-18.1 |
0.092 |
0 |
0 |
0 |
0.132 |
11 |
17 |
|
A |
18 |
4 |
19263 |
x |
A |
-x,y-1/2,-z |
2_545 |
21 |
5 |
19263 |
161.0 |
-3.0 |
0.278 |
0 |
0 |
0 |
0.000 |
18 |
|
C |
19 |
6 |
19001 |
x |
C |
-x,y-1/2,-z+1 |
2_546 |
17 |
4 |
19001 |
148.2 |
-3.4 |
0.210 |
0 |
0 |
0 |
0.000 |
Average: |
154.6 |
-3.2 |
0.244 |
0 |
0 |
0 |
0.000 |
12 |
19 |
|
A |
15 |
5 |
19263 |
◊ |
D |
x-1,y,z-1 |
1_454 |
14 |
3 |
23667 |
130.2 |
-1.3 |
0.479 |
0 |
1 |
0 |
0.000 |
13 |
20 |
|
B |
10 |
4 |
23893 |
◊ |
A |
-x,y-1/2,-z |
2_545 |
22 |
11 |
19263 |
125.2 |
2.0 |
0.904 |
2 |
0 |
0 |
0.000 |
21 |
|
C |
3 |
3 |
19001 |
◊ |
D |
-x,y-1/2,-z+1 |
2_546 |
4 |
3 |
23667 |
14.9 |
-0.2 |
0.524 |
0 |
0 |
0 |
0.000 |
Average: |
70.0 |
0.9 |
0.714 |
1 |
0 |
0 |
0.000 |
14 |
22 |
|
[ICS]A:502 |
7 |
1 |
489 |
f |
[HCA]A:501 |
x,y,z |
1_555 |
7 |
1 |
341 |
64.2 |
-3.5 |
0.433 |
0 |
0 |
0 |
0.051 |
15 |
23 |
|
[ICS]C:502 |
7 |
1 |
486 |
f |
[HCA]C:501 |
x,y,z |
1_555 |
8 |
1 |
342 |
63.8 |
-1.9 |
0.589 |
0 |
0 |
0 |
0.028 |
16 |
24 |
|
[HCA]C:501 |
8 |
1 |
342 |
◊ |
D |
x,y,z |
1_555 |
5 |
3 |
23667 |
49.5 |
1.3 |
0.510 |
0 |
0 |
0 |
0.000 |
17 |
25 |
|
[HCA]A:501 |
8 |
1 |
341 |
◊ |
B |
x,y,z |
1_555 |
7 |
3 |
23893 |
47.1 |
1.2 |
0.553 |
0 |
0 |
0 |
0.000 |
18 |
26 |
|
[FE]B:602 |
1 |
1 |
137 |
f |
B |
x,y,z |
1_555 |
10 |
6 |
23893 |
46.7 |
-5.6 |
0.000 |
0 |
0 |
0 |
0.174 |
27 |
|
[FE]B:603 |
1 |
1 |
137 |
f |
D |
x,y,z |
1_555 |
10 |
6 |
23667 |
41.3 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.174 |
Average: |
44.0 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.174 |
19 |
28 |
|
[FE]B:603 |
1 |
1 |
137 |
◊ |
B |
x,y,z |
1_555 |
6 |
2 |
23893 |
39.9 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.160 |
29 |
|
[FE]B:602 |
1 |
1 |
137 |
◊ |
D |
x,y,z |
1_555 |
7 |
3 |
23667 |
39.0 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.160 |
Average: |
39.5 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.160 |
20 |
30 |
|
[FE]B:603 |
1 |
1 |
137 |
◊ |
C |
x,y,z |
1_555 |
8 |
3 |
19001 |
36.5 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.027 |
31 |
|
[FE]B:602 |
1 |
1 |
137 |
◊ |
A |
x,y,z |
1_555 |
7 |
3 |
19263 |
32.7 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.027 |
Average: |
34.6 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.027 |
21 |
32 |
|
C |
7 |
5 |
19001 |
◊ |
D |
x-1,y,z |
1_455 |
6 |
4 |
23667 |
24.9 |
-0.1 |
0.635 |
0 |
0 |
0 |
0.000 |
22 |
33 |
|
D |
3 |
2 |
23667 |
◊ |
B |
x-1,y,z |
1_455 |
3 |
3 |
23893 |
13.9 |
-0.0 |
0.606 |
0 |
0 |
0 |
0.000 |
23 |
34 |
|
C |
3 |
2 |
19001 |
◊ |
B |
x-1,y,z |
1_455 |
2 |
2 |
23893 |
7.2 |
-0.2 |
0.465 |
0 |
0 |
0 |
0.000 |
|