| ## |
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 |
466 |
113 |
24066 |
◊ |
C |
x,y,z |
1_555 |
461 |
127 |
19688 |
4423.0 |
-55.7 |
0.024 |
33 |
20 |
0 |
0.520 |
2 |
|
B |
460 |
114 |
24020 |
◊ |
A |
x,y,z |
1_555 |
466 |
130 |
19547 |
4393.6 |
-53.0 |
0.022 |
36 |
17 |
0 |
0.520 |
| Average: |
4408.3 |
-54.3 |
0.023 |
35 |
19 |
0 |
0.520 |
| 2 |
3 |
|
D |
303 |
76 |
24066 |
◊ |
B |
x,y,z |
1_555 |
316 |
79 |
24020 |
2896.0 |
-21.4 |
0.437 |
32 |
28 |
0 |
0.665 |
| 3 |
4 |
|
B |
144 |
36 |
24020 |
◊ |
C |
x,y,z |
1_555 |
149 |
39 |
19688 |
1299.1 |
-15.9 |
0.228 |
8 |
6 |
0 |
0.302 |
5 |
|
D |
141 |
36 |
24066 |
◊ |
A |
x,y,z |
1_555 |
149 |
39 |
19547 |
1285.5 |
-16.1 |
0.191 |
7 |
6 |
0 |
0.302 |
| Average: |
1292.3 |
-16.0 |
0.210 |
8 |
6 |
0 |
0.302 |
| 4 |
6 |
|
D |
45 |
18 |
24066 |
◊ |
C |
-x+1,y-1/2,-z |
2_645 |
47 |
22 |
19688 |
396.4 |
-0.8 |
0.603 |
1 |
2 |
0 |
0.000 |
7 |
|
A |
43 |
19 |
19547 |
◊ |
B |
-x+1,y-1/2,-z+1 |
2_646 |
38 |
14 |
24020 |
319.7 |
0.4 |
0.783 |
0 |
1 |
0 |
0.000 |
| Average: |
358.1 |
-0.2 |
0.693 |
1 |
2 |
0 |
0.000 |
| 5 |
8 |
|
[ICS]C:502 |
17 |
1 |
488 |
f |
C |
x,y,z |
1_555 |
51 |
18 |
19688 |
317.2 |
-19.1 |
0.782 |
0 |
0 |
0 |
0.288 |
9 |
|
[ICS]A:502 |
17 |
1 |
488 |
f |
A |
x,y,z |
1_555 |
47 |
18 |
19547 |
313.9 |
-19.2 |
0.741 |
0 |
0 |
0 |
0.288 |
| Average: |
315.6 |
-19.1 |
0.762 |
0 |
0 |
0 |
0.288 |
| 6 |
10 |
|
C |
29 |
9 |
19688 |
◊ |
B |
x,y,z-1 |
1_554 |
26 |
8 |
24020 |
254.5 |
-1.1 |
0.554 |
1 |
2 |
0 |
0.000 |
11 |
|
D |
28 |
7 |
24066 |
◊ |
A |
x,y,z-1 |
1_554 |
32 |
11 |
19547 |
253.5 |
-2.4 |
0.371 |
0 |
0 |
0 |
0.000 |
| Average: |
254.0 |
-1.8 |
0.462 |
1 |
1 |
0 |
0.000 |
| 7 |
12 |
|
A |
24 |
8 |
19547 |
◊ |
B |
x-1,y,z |
1_455 |
30 |
11 |
24020 |
253.4 |
-0.2 |
0.703 |
1 |
1 |
0 |
0.000 |
| 8 |
13 |
|
C |
24 |
8 |
19688 |
◊ |
A |
x,y,z-1 |
1_554 |
34 |
10 |
19547 |
226.7 |
-0.1 |
0.748 |
1 |
2 |
0 |
0.000 |
| 9 |
14 |
|
A |
26 |
8 |
19547 |
x |
A |
-x+1,y-1/2,-z+1 |
2_646 |
23 |
5 |
19547 |
215.7 |
-2.0 |
0.276 |
0 |
0 |
0 |
0.000 |
15 |
|
C |
19 |
5 |
19688 |
x |
C |
-x+1,y-1/2,-z |
2_645 |
24 |
6 |
19688 |
202.6 |
-2.2 |
0.219 |
1 |
0 |
0 |
0.000 |
| Average: |
209.2 |
-2.1 |
0.248 |
1 |
0 |
0 |
0.000 |
| 10 |
16 |
|
C |
23 |
8 |
19688 |
◊ |
B |
x-1,y,z-1 |
1_454 |
23 |
8 |
24020 |
212.1 |
-2.1 |
0.455 |
0 |
2 |
0 |
0.000 |
| 11 |
17 |
|
[HCA]C:501 |
13 |
1 |
343 |
f |
C |
x,y,z |
1_555 |
33 |
16 |
19688 |
205.2 |
0.5 |
0.463 |
3 |
0 |
0 |
0.012 |
18 |
|
[HCA]A:501 |
13 |
1 |
340 |
f |
A |
x,y,z |
1_555 |
37 |
16 |
19547 |
197.0 |
0.5 |
0.436 |
3 |
0 |
0 |
0.012 |
| Average: |
201.1 |
0.5 |
0.449 |
3 |
0 |
0 |
0.012 |
| 12 |
19 |
|
[CLF]B:601 |
12 |
1 |
452 |
f |
A |
x,y,z |
1_555 |
28 |
10 |
19547 |
182.0 |
-19.1 |
0.097 |
0 |
0 |
0 |
0.287 |
20 |
|
[CLF]D:601 |
12 |
1 |
452 |
f |
C |
x,y,z |
1_555 |
27 |
10 |
19688 |
181.0 |
-19.0 |
0.108 |
0 |
0 |
0 |
0.287 |
| Average: |
181.5 |
-19.0 |
0.103 |
0 |
0 |
0 |
0.287 |
| 13 |
21 |
|
[CLF]D:601 |
14 |
1 |
452 |
◊ |
D |
x,y,z |
1_555 |
24 |
11 |
24066 |
180.8 |
-18.2 |
0.108 |
0 |
0 |
0 |
0.131 |
22 |
|
[CLF]B:601 |
13 |
1 |
452 |
◊ |
B |
x,y,z |
1_555 |
24 |
11 |
24020 |
179.0 |
-18.1 |
0.110 |
0 |
0 |
0 |
0.131 |
| Average: |
179.9 |
-18.1 |
0.109 |
0 |
0 |
0 |
0.131 |
| 14 |
23 |
|
B |
12 |
4 |
24020 |
◊ |
D |
x-1,y,z |
1_455 |
16 |
6 |
24066 |
130.1 |
-0.9 |
0.516 |
0 |
0 |
0 |
0.000 |
| 15 |
24 |
|
[ICS]A:502 |
6 |
1 |
488 |
cf |
[HCA]A:501 |
x,y,z |
1_555 |
8 |
1 |
340 |
69.1 |
-2.1 |
0.601 |
0 |
0 |
0 |
0.051 |
25 |
|
[ICS]C:502 |
7 |
1 |
488 |
f |
[HCA]C:501 |
x,y,z |
1_555 |
7 |
1 |
343 |
66.8 |
-3.5 |
0.469 |
0 |
0 |
0 |
0.051 |
| Average: |
68.0 |
-2.8 |
0.535 |
0 |
0 |
0 |
0.051 |
| 16 |
26 |
|
[FE]D:602 |
1 |
1 |
137 |
f |
B |
x,y,z |
1_555 |
11 |
5 |
24020 |
46.1 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.178 |
27 |
|
[FE]B:602 |
1 |
1 |
137 |
f |
D |
x,y,z |
1_555 |
11 |
6 |
24066 |
45.1 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.178 |
| Average: |
45.6 |
-5.3 |
0.000 |
0 |
0 |
0 |
0.178 |
| 17 |
28 |
|
D |
4 |
1 |
24066 |
x |
D |
x-1,y,z |
1_455 |
7 |
2 |
24066 |
45.1 |
-0.2 |
0.559 |
0 |
0 |
0 |
0.000 |
| 18 |
29 |
|
[HCA]A:501 |
7 |
1 |
340 |
◊ |
B |
x,y,z |
1_555 |
6 |
3 |
24020 |
42.9 |
1.1 |
0.526 |
0 |
0 |
0 |
0.000 |
30 |
|
[HCA]C:501 |
7 |
1 |
343 |
◊ |
D |
x,y,z |
1_555 |
5 |
3 |
24066 |
37.7 |
1.2 |
0.541 |
0 |
0 |
0 |
0.000 |
| Average: |
40.3 |
1.1 |
0.534 |
0 |
0 |
0 |
0.000 |
| 19 |
31 |
|
[FE]B:602 |
1 |
1 |
137 |
◊ |
B |
x,y,z |
1_555 |
6 |
2 |
24020 |
40.3 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.157 |
32 |
|
[FE]D:602 |
1 |
1 |
137 |
◊ |
D |
x,y,z |
1_555 |
6 |
2 |
24066 |
39.1 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.157 |
| Average: |
39.7 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.157 |
| 20 |
33 |
|
A |
8 |
5 |
19547 |
◊ |
D |
x-1,y,z |
1_455 |
5 |
3 |
24066 |
33.3 |
-0.4 |
0.513 |
0 |
0 |
0 |
0.000 |
| 21 |
34 |
|
[FE]D:602 |
1 |
1 |
137 |
◊ |
A |
x,y,z |
1_555 |
7 |
3 |
19547 |
33.0 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.023 |
35 |
|
[FE]B:602 |
1 |
1 |
137 |
◊ |
C |
x,y,z |
1_555 |
8 |
3 |
19688 |
32.7 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.023 |
| Average: |
32.9 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.023 |
|