## |
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 |
460 |
115 |
23920 |
◊ |
C |
x,y,z |
1_555 |
461 |
130 |
19695 |
4420.0 |
-56.7 |
0.013 |
35 |
18 |
0 |
0.535 |
2 |
|
B |
462 |
117 |
24065 |
◊ |
A |
x,y,z |
1_555 |
468 |
131 |
19663 |
4406.3 |
-57.5 |
0.006 |
30 |
15 |
0 |
0.535 |
Average: |
4413.1 |
-57.1 |
0.009 |
33 |
17 |
0 |
0.535 |
2 |
3 |
|
D |
305 |
75 |
23920 |
◊ |
B |
x,y,z |
1_555 |
301 |
75 |
24065 |
2864.8 |
-22.4 |
0.360 |
33 |
30 |
0 |
0.676 |
3 |
4 |
|
B |
143 |
36 |
24065 |
◊ |
C |
x,y,z |
1_555 |
151 |
39 |
19695 |
1288.9 |
-16.7 |
0.163 |
7 |
7 |
0 |
0.321 |
5 |
|
D |
139 |
36 |
23920 |
◊ |
A |
x,y,z |
1_555 |
148 |
38 |
19663 |
1271.1 |
-17.6 |
0.109 |
5 |
6 |
0 |
0.321 |
Average: |
1280.0 |
-17.2 |
0.136 |
6 |
7 |
0 |
0.321 |
4 |
6 |
|
A |
49 |
23 |
19663 |
◊ |
B |
-x+1,y-1/2,-z+1 |
2_646 |
40 |
14 |
24065 |
372.9 |
2.7 |
0.875 |
0 |
3 |
0 |
0.000 |
7 |
|
D |
23 |
11 |
23920 |
◊ |
C |
-x+1,y-1/2,-z |
2_645 |
31 |
14 |
19695 |
193.0 |
-1.0 |
0.580 |
0 |
0 |
0 |
0.000 |
Average: |
282.9 |
0.8 |
0.727 |
0 |
2 |
0 |
0.000 |
5 |
8 |
|
[ICS]C:502 |
17 |
1 |
488 |
f |
C |
x,y,z |
1_555 |
46 |
18 |
19695 |
312.6 |
-19.3 |
0.758 |
0 |
0 |
0 |
0.284 |
9 |
|
[ICS]A:502 |
17 |
1 |
485 |
f |
A |
x,y,z |
1_555 |
47 |
18 |
19663 |
312.5 |
-18.2 |
0.770 |
0 |
0 |
0 |
0.284 |
Average: |
312.6 |
-18.8 |
0.764 |
0 |
0 |
0 |
0.284 |
6 |
10 |
|
C |
31 |
9 |
19695 |
◊ |
B |
x,y,z-1 |
1_554 |
30 |
8 |
24065 |
256.6 |
-1.4 |
0.538 |
1 |
1 |
0 |
0.000 |
11 |
|
D |
24 |
7 |
23920 |
◊ |
A |
x,y,z-1 |
1_554 |
28 |
9 |
19663 |
238.0 |
-1.5 |
0.385 |
0 |
2 |
0 |
0.000 |
Average: |
247.3 |
-1.5 |
0.462 |
1 |
2 |
0 |
0.000 |
7 |
12 |
|
A |
24 |
7 |
19663 |
x |
A |
-x+1,y-1/2,-z+1 |
2_646 |
22 |
5 |
19663 |
222.3 |
-2.0 |
0.227 |
0 |
0 |
0 |
0.000 |
13 |
|
C |
20 |
5 |
19695 |
x |
C |
-x+1,y-1/2,-z |
2_645 |
25 |
7 |
19695 |
209.1 |
-2.2 |
0.203 |
0 |
0 |
0 |
0.000 |
Average: |
215.7 |
-2.1 |
0.215 |
0 |
0 |
0 |
0.000 |
8 |
14 |
|
A |
24 |
8 |
19663 |
◊ |
B |
x-1,y,z |
1_455 |
24 |
9 |
24065 |
212.8 |
-1.6 |
0.496 |
0 |
0 |
0 |
0.000 |
9 |
15 |
|
C |
24 |
7 |
19695 |
◊ |
A |
x,y,z-1 |
1_554 |
25 |
6 |
19663 |
204.5 |
-1.2 |
0.572 |
0 |
0 |
0 |
0.000 |
10 |
16 |
|
[HCA]C:501 |
13 |
1 |
344 |
f |
C |
x,y,z |
1_555 |
38 |
17 |
19695 |
203.6 |
0.8 |
0.485 |
4 |
0 |
0 |
0.014 |
17 |
|
[HCA]A:501 |
13 |
1 |
343 |
f |
A |
x,y,z |
1_555 |
39 |
17 |
19663 |
202.4 |
1.5 |
0.484 |
4 |
0 |
0 |
0.014 |
Average: |
203.0 |
1.2 |
0.484 |
4 |
0 |
0 |
0.014 |
11 |
18 |
|
C |
22 |
7 |
19695 |
◊ |
B |
x-1,y,z-1 |
1_454 |
21 |
8 |
24065 |
202.8 |
-0.3 |
0.670 |
0 |
2 |
0 |
0.000 |
12 |
19 |
|
[CLF]B:601 |
12 |
1 |
450 |
f |
A |
x,y,z |
1_555 |
27 |
10 |
19663 |
181.6 |
-18.2 |
0.080 |
0 |
0 |
0 |
0.282 |
20 |
|
[CLF]D:601 |
12 |
1 |
454 |
f |
C |
x,y,z |
1_555 |
27 |
10 |
19695 |
180.9 |
-18.1 |
0.096 |
0 |
0 |
0 |
0.282 |
Average: |
181.3 |
-18.1 |
0.088 |
0 |
0 |
0 |
0.282 |
13 |
21 |
|
[CLF]D:601 |
12 |
1 |
454 |
◊ |
D |
x,y,z |
1_555 |
23 |
11 |
23920 |
179.5 |
-17.5 |
0.087 |
0 |
0 |
0 |
0.127 |
22 |
|
[CLF]B:601 |
12 |
1 |
450 |
◊ |
B |
x,y,z |
1_555 |
22 |
11 |
24065 |
177.3 |
-17.3 |
0.076 |
0 |
0 |
0 |
0.127 |
Average: |
178.4 |
-17.4 |
0.081 |
0 |
0 |
0 |
0.127 |
14 |
23 |
|
B |
14 |
4 |
24065 |
◊ |
D |
x-1,y,z |
1_455 |
18 |
6 |
23920 |
140.2 |
-1.1 |
0.440 |
0 |
0 |
0 |
0.000 |
15 |
24 |
|
[ICS]A:502 |
7 |
1 |
485 |
f |
[HCA]A:501 |
x,y,z |
1_555 |
7 |
1 |
343 |
68.0 |
-1.9 |
0.683 |
0 |
0 |
0 |
0.052 |
25 |
|
[ICS]C:502 |
7 |
1 |
488 |
f |
[HCA]C:501 |
x,y,z |
1_555 |
7 |
1 |
344 |
66.4 |
-3.6 |
0.444 |
0 |
0 |
0 |
0.052 |
Average: |
67.2 |
-2.7 |
0.564 |
0 |
0 |
0 |
0.052 |
16 |
26 |
|
[FE]B:602 |
1 |
1 |
137 |
f |
D |
x,y,z |
1_555 |
9 |
6 |
23920 |
45.3 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.169 |
27 |
|
[FE]D:602 |
1 |
1 |
137 |
f |
B |
x,y,z |
1_555 |
11 |
6 |
24065 |
45.0 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.169 |
Average: |
45.2 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.169 |
17 |
28 |
|
[HCA]C:501 |
7 |
1 |
344 |
◊ |
D |
x,y,z |
1_555 |
6 |
3 |
23920 |
44.5 |
1.4 |
0.577 |
0 |
0 |
0 |
0.000 |
29 |
|
[HCA]A:501 |
7 |
1 |
343 |
◊ |
B |
x,y,z |
1_555 |
6 |
3 |
24065 |
43.8 |
0.9 |
0.474 |
0 |
0 |
0 |
0.000 |
Average: |
44.1 |
1.1 |
0.525 |
0 |
0 |
0 |
0.000 |
18 |
30 |
|
[FE]B:602 |
1 |
1 |
137 |
◊ |
B |
x,y,z |
1_555 |
7 |
3 |
24065 |
40.5 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.155 |
31 |
|
[FE]D:602 |
1 |
1 |
137 |
◊ |
D |
x,y,z |
1_555 |
6 |
2 |
23920 |
40.1 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.155 |
Average: |
40.3 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.155 |
19 |
32 |
|
D |
4 |
1 |
23920 |
x |
D |
x-1,y,z |
1_455 |
7 |
2 |
23920 |
37.2 |
-0.5 |
0.471 |
0 |
0 |
0 |
0.000 |
20 |
33 |
|
A |
8 |
5 |
19663 |
◊ |
D |
x-1,y,z |
1_455 |
6 |
4 |
23920 |
34.0 |
-0.4 |
0.541 |
0 |
0 |
0 |
0.000 |
21 |
34 |
|
[FE]D:602 |
1 |
1 |
137 |
◊ |
A |
x,y,z |
1_555 |
7 |
3 |
19663 |
33.4 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.024 |
35 |
|
[FE]B:602 |
1 |
1 |
137 |
◊ |
C |
x,y,z |
1_555 |
7 |
3 |
19695 |
33.3 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.024 |
Average: |
33.3 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.024 |
|