| ## |
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 |
464 |
118 |
24108 |
◊ |
A |
x,y,z |
1_555 |
473 |
126 |
19706 |
4442.1 |
-57.4 |
0.007 |
31 |
17 |
0 |
0.522 |
2 |
|
D |
459 |
118 |
24140 |
◊ |
C |
x,y,z |
1_555 |
461 |
130 |
19820 |
4440.3 |
-55.8 |
0.008 |
31 |
18 |
0 |
0.522 |
| Average: |
4441.2 |
-56.6 |
0.008 |
31 |
18 |
0 |
0.522 |
| 2 |
3 |
|
D |
315 |
79 |
24140 |
◊ |
B |
x,y,z |
1_555 |
313 |
78 |
24108 |
2898.9 |
-19.1 |
0.475 |
29 |
28 |
0 |
0.643 |
| 3 |
4 |
|
B |
144 |
36 |
24108 |
◊ |
C |
x,y,z |
1_555 |
150 |
37 |
19820 |
1304.1 |
-17.0 |
0.134 |
9 |
6 |
0 |
0.312 |
5 |
|
D |
140 |
37 |
24140 |
◊ |
A |
x,y,z |
1_555 |
146 |
38 |
19706 |
1285.9 |
-16.2 |
0.145 |
6 |
6 |
0 |
0.312 |
| Average: |
1295.0 |
-16.6 |
0.140 |
8 |
6 |
0 |
0.312 |
| 4 |
6 |
|
A |
54 |
22 |
19706 |
◊ |
B |
-x+1,y-1/2,-z+1 |
2_646 |
45 |
17 |
24108 |
462.3 |
2.9 |
0.912 |
0 |
2 |
0 |
0.000 |
7 |
|
D |
39 |
14 |
24140 |
◊ |
C |
-x+1,y-1/2,-z |
2_645 |
54 |
23 |
19820 |
424.6 |
1.4 |
0.804 |
5 |
2 |
0 |
0.000 |
| Average: |
443.4 |
2.2 |
0.858 |
3 |
2 |
0 |
0.000 |
| 5 |
8 |
|
C |
41 |
14 |
19820 |
◊ |
A |
x,y,z-1 |
1_554 |
41 |
13 |
19706 |
340.1 |
3.8 |
0.939 |
1 |
1 |
0 |
0.000 |
| 6 |
9 |
|
C |
39 |
9 |
19820 |
◊ |
B |
x,y,z-1 |
1_554 |
36 |
10 |
24108 |
330.0 |
-0.9 |
0.624 |
1 |
4 |
0 |
0.000 |
10 |
|
D |
28 |
8 |
24140 |
◊ |
A |
x,y,z-1 |
1_554 |
32 |
9 |
19706 |
255.3 |
-1.2 |
0.509 |
0 |
2 |
0 |
0.000 |
| Average: |
292.7 |
-1.0 |
0.567 |
1 |
3 |
0 |
0.000 |
| 7 |
11 |
|
[ICS]A:502 |
17 |
1 |
487 |
f |
A |
x,y,z |
1_555 |
48 |
18 |
19706 |
313.5 |
-19.3 |
0.754 |
0 |
0 |
0 |
0.290 |
12 |
|
[ICS]C:502 |
17 |
1 |
485 |
f |
C |
x,y,z |
1_555 |
47 |
18 |
19820 |
311.1 |
-19.1 |
0.746 |
0 |
0 |
0 |
0.290 |
| Average: |
312.3 |
-19.2 |
0.750 |
0 |
0 |
0 |
0.290 |
| 8 |
13 |
|
A |
29 |
9 |
19706 |
◊ |
B |
x-1,y,z |
1_455 |
37 |
12 |
24108 |
276.5 |
-1.5 |
0.572 |
1 |
1 |
0 |
0.000 |
| 9 |
14 |
|
C |
26 |
9 |
19820 |
◊ |
B |
x-1,y,z-1 |
1_454 |
26 |
8 |
24108 |
250.6 |
0.3 |
0.640 |
1 |
2 |
0 |
0.000 |
| 10 |
15 |
|
C |
23 |
5 |
19820 |
x |
C |
-x+1,y-1/2,-z |
2_645 |
26 |
7 |
19820 |
217.5 |
-1.9 |
0.325 |
1 |
0 |
0 |
0.000 |
16 |
|
A |
24 |
7 |
19706 |
x |
A |
-x+1,y-1/2,-z+1 |
2_646 |
21 |
5 |
19706 |
193.0 |
-2.7 |
0.232 |
0 |
0 |
0 |
0.000 |
| Average: |
205.3 |
-2.3 |
0.279 |
1 |
0 |
0 |
0.000 |
| 11 |
17 |
|
[HCA]C:501 |
13 |
1 |
344 |
f |
C |
x,y,z |
1_555 |
36 |
16 |
19820 |
201.0 |
0.8 |
0.454 |
4 |
0 |
0 |
0.014 |
18 |
|
[HCA]A:501 |
13 |
1 |
342 |
f |
A |
x,y,z |
1_555 |
37 |
16 |
19706 |
199.4 |
0.7 |
0.448 |
3 |
0 |
0 |
0.014 |
| Average: |
200.2 |
0.7 |
0.451 |
4 |
0 |
0 |
0.014 |
| 12 |
19 |
|
[CLF]A:503 |
12 |
1 |
464 |
f |
A |
x,y,z |
1_555 |
27 |
10 |
19706 |
185.7 |
-19.4 |
0.079 |
0 |
0 |
0 |
0.292 |
20 |
|
[CLF]C:503 |
12 |
1 |
468 |
f |
C |
x,y,z |
1_555 |
27 |
10 |
19820 |
184.5 |
-19.2 |
0.089 |
0 |
0 |
0 |
0.292 |
| Average: |
185.1 |
-19.3 |
0.084 |
0 |
0 |
0 |
0.292 |
| 13 |
21 |
|
[CLF]C:503 |
13 |
1 |
468 |
◊ |
D |
x,y,z |
1_555 |
23 |
11 |
24140 |
184.1 |
-18.8 |
0.080 |
0 |
0 |
0 |
0.133 |
22 |
|
[CLF]A:503 |
13 |
1 |
464 |
◊ |
B |
x,y,z |
1_555 |
24 |
11 |
24108 |
181.6 |
-18.3 |
0.079 |
0 |
0 |
0 |
0.133 |
| Average: |
182.8 |
-18.6 |
0.080 |
0 |
0 |
0 |
0.133 |
| 14 |
23 |
|
B |
14 |
4 |
24108 |
◊ |
D |
x-1,y,z |
1_455 |
17 |
6 |
24140 |
150.3 |
0.0 |
0.648 |
1 |
0 |
0 |
0.000 |
| 15 |
24 |
|
[ICS]C:502 |
7 |
1 |
485 |
f |
[HCA]C:501 |
x,y,z |
1_555 |
7 |
1 |
344 |
68.8 |
-3.6 |
0.435 |
0 |
0 |
0 |
0.052 |
25 |
|
[ICS]A:502 |
7 |
1 |
487 |
f |
[HCA]A:501 |
x,y,z |
1_555 |
7 |
1 |
342 |
66.6 |
-2.0 |
0.664 |
0 |
0 |
0 |
0.052 |
| Average: |
67.7 |
-2.8 |
0.549 |
0 |
0 |
0 |
0.052 |
| 16 |
26 |
|
A |
10 |
6 |
19706 |
◊ |
D |
x-1,y,z |
1_455 |
11 |
5 |
24140 |
56.6 |
0.9 |
0.706 |
0 |
0 |
0 |
0.000 |
| 17 |
27 |
|
D |
7 |
3 |
24140 |
x |
D |
x-1,y,z |
1_455 |
9 |
2 |
24140 |
49.8 |
-0.6 |
0.506 |
0 |
0 |
0 |
0.000 |
| 18 |
28 |
|
[HCA]A:501 |
7 |
1 |
342 |
◊ |
B |
x,y,z |
1_555 |
6 |
3 |
24108 |
48.5 |
0.8 |
0.474 |
0 |
0 |
0 |
0.000 |
29 |
|
[HCA]C:501 |
7 |
1 |
344 |
◊ |
D |
x,y,z |
1_555 |
5 |
3 |
24140 |
42.4 |
1.1 |
0.546 |
0 |
0 |
0 |
0.000 |
| Average: |
45.4 |
0.9 |
0.510 |
0 |
0 |
0 |
0.000 |
| 19 |
30 |
|
[FE]B:601 |
1 |
1 |
137 |
f |
B |
x,y,z |
1_555 |
12 |
6 |
24108 |
45.9 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.188 |
31 |
|
[FE]D:601 |
1 |
1 |
137 |
f |
D |
x,y,z |
1_555 |
11 |
5 |
24140 |
45.2 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.188 |
| Average: |
45.6 |
-5.3 |
0.000 |
0 |
0 |
0 |
0.188 |
| 20 |
32 |
|
[FE]D:601 |
1 |
1 |
137 |
◊ |
B |
x,y,z |
1_555 |
7 |
3 |
24108 |
40.2 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.169 |
33 |
|
[FE]B:601 |
1 |
1 |
137 |
◊ |
D |
x,y,z |
1_555 |
7 |
3 |
24140 |
39.4 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.169 |
| Average: |
39.8 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.169 |
| 21 |
34 |
|
[FE]B:601 |
1 |
1 |
137 |
◊ |
A |
x,y,z |
1_555 |
7 |
3 |
19706 |
33.1 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.023 |
35 |
|
[FE]D:601 |
1 |
1 |
137 |
◊ |
C |
x,y,z |
1_555 |
7 |
3 |
19820 |
32.4 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.023 |
| Average: |
32.7 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.023 |
| 22 |
36 |
|
B |
1 |
1 |
24108 |
x |
B |
x-1,y,z |
1_455 |
1 |
1 |
24108 |
3.1 |
-0.0 |
0.545 |
0 |
0 |
0 |
0.000 |
|