| ## |
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 |
474 |
117 |
24226 |
◊ |
C |
x,y,z |
1_555 |
467 |
129 |
19945 |
4465.0 |
-53.7 |
0.009 |
36 |
20 |
0 |
0.526 |
2 |
|
B |
467 |
115 |
24095 |
◊ |
A |
x,y,z |
1_555 |
463 |
128 |
19689 |
4412.3 |
-55.9 |
0.008 |
33 |
15 |
0 |
0.526 |
| Average: |
4438.6 |
-54.8 |
0.009 |
35 |
18 |
0 |
0.526 |
| 2 |
3 |
|
D |
311 |
77 |
24226 |
◊ |
B |
x,y,z |
1_555 |
315 |
78 |
24095 |
2888.7 |
-19.9 |
0.435 |
34 |
27 |
0 |
0.664 |
| 3 |
4 |
|
B |
143 |
37 |
24095 |
◊ |
C |
x,y,z |
1_555 |
150 |
38 |
19945 |
1286.1 |
-16.9 |
0.114 |
9 |
7 |
0 |
0.314 |
5 |
|
D |
141 |
36 |
24226 |
◊ |
A |
x,y,z |
1_555 |
148 |
39 |
19689 |
1275.6 |
-15.5 |
0.171 |
10 |
6 |
0 |
0.314 |
| Average: |
1280.9 |
-16.2 |
0.142 |
10 |
7 |
0 |
0.314 |
| 4 |
6 |
|
D |
36 |
15 |
24226 |
◊ |
C |
-x+1,y-1/2,-z |
2_645 |
51 |
24 |
19945 |
400.0 |
2.2 |
0.792 |
6 |
3 |
0 |
0.000 |
7 |
|
A |
46 |
22 |
19689 |
◊ |
B |
-x+1,y-1/2,-z+1 |
2_646 |
41 |
16 |
24095 |
353.0 |
-0.9 |
0.601 |
0 |
3 |
0 |
0.000 |
| Average: |
376.5 |
0.6 |
0.696 |
3 |
3 |
0 |
0.000 |
| 5 |
8 |
|
C |
35 |
8 |
19945 |
◊ |
B |
x,y,z-1 |
1_554 |
37 |
8 |
24095 |
324.0 |
-1.8 |
0.490 |
3 |
3 |
0 |
0.000 |
9 |
|
D |
33 |
8 |
24226 |
◊ |
A |
x,y,z-1 |
1_554 |
31 |
9 |
19689 |
279.5 |
-1.8 |
0.491 |
0 |
2 |
0 |
0.000 |
| Average: |
301.8 |
-1.8 |
0.490 |
2 |
3 |
0 |
0.000 |
| 6 |
10 |
|
[ICS]C:502 |
17 |
1 |
486 |
f |
C |
x,y,z |
1_555 |
47 |
18 |
19945 |
313.3 |
-19.4 |
0.716 |
0 |
0 |
0 |
0.275 |
11 |
|
[ICS]A:502 |
17 |
1 |
486 |
f |
A |
x,y,z |
1_555 |
49 |
18 |
19689 |
313.3 |
-18.2 |
0.764 |
0 |
0 |
0 |
0.275 |
| Average: |
313.3 |
-18.8 |
0.740 |
0 |
0 |
0 |
0.275 |
| 7 |
12 |
|
C |
42 |
15 |
19945 |
◊ |
A |
x,y,z-1 |
1_554 |
40 |
14 |
19689 |
306.0 |
3.0 |
0.891 |
1 |
1 |
0 |
0.000 |
| 8 |
13 |
|
C |
24 |
8 |
19945 |
◊ |
B |
x-1,y,z-1 |
1_454 |
22 |
8 |
24095 |
221.8 |
-0.1 |
0.676 |
1 |
1 |
0 |
0.000 |
| 9 |
14 |
|
A |
24 |
7 |
19689 |
x |
A |
-x+1,y-1/2,-z+1 |
2_646 |
21 |
5 |
19689 |
219.3 |
-2.2 |
0.215 |
0 |
0 |
0 |
0.000 |
15 |
|
C |
21 |
5 |
19945 |
x |
C |
-x+1,y-1/2,-z |
2_645 |
25 |
7 |
19945 |
213.7 |
-2.1 |
0.194 |
1 |
0 |
0 |
0.000 |
| Average: |
216.5 |
-2.2 |
0.205 |
1 |
0 |
0 |
0.000 |
| 10 |
16 |
|
[HCA]C:501 |
13 |
1 |
344 |
f |
C |
x,y,z |
1_555 |
37 |
17 |
19945 |
203.2 |
0.7 |
0.450 |
4 |
0 |
0 |
0.015 |
17 |
|
[HCA]A:501 |
13 |
1 |
343 |
f |
A |
x,y,z |
1_555 |
37 |
17 |
19689 |
200.4 |
1.7 |
0.475 |
4 |
0 |
0 |
0.015 |
| Average: |
201.8 |
1.2 |
0.463 |
4 |
0 |
0 |
0.015 |
| 11 |
18 |
|
[CLF]B:601 |
12 |
1 |
472 |
f |
A |
x,y,z |
1_555 |
29 |
11 |
19689 |
188.7 |
-19.9 |
0.097 |
0 |
0 |
0 |
0.300 |
19 |
|
[CLF]C:503 |
12 |
1 |
470 |
f |
C |
x,y,z |
1_555 |
28 |
11 |
19945 |
188.6 |
-20.0 |
0.073 |
0 |
0 |
0 |
0.300 |
| Average: |
188.7 |
-19.9 |
0.085 |
0 |
0 |
0 |
0.300 |
| 12 |
20 |
|
[CLF]B:601 |
13 |
1 |
472 |
◊ |
B |
x,y,z |
1_555 |
25 |
11 |
24095 |
183.2 |
-18.2 |
0.098 |
0 |
0 |
0 |
0.131 |
21 |
|
[CLF]C:503 |
13 |
1 |
470 |
◊ |
D |
x,y,z |
1_555 |
24 |
11 |
24226 |
182.2 |
-18.1 |
0.092 |
0 |
0 |
0 |
0.131 |
| Average: |
182.7 |
-18.2 |
0.095 |
0 |
0 |
0 |
0.131 |
| 13 |
22 |
|
A |
19 |
8 |
19689 |
◊ |
B |
x-1,y,z |
1_455 |
24 |
8 |
24095 |
175.2 |
-1.3 |
0.412 |
0 |
0 |
0 |
0.000 |
| 14 |
23 |
|
B |
14 |
4 |
24095 |
◊ |
D |
x-1,y,z |
1_455 |
17 |
6 |
24226 |
146.3 |
-0.6 |
0.574 |
1 |
0 |
0 |
0.000 |
| 15 |
24 |
|
[ICS]C:502 |
7 |
1 |
486 |
f |
[HCA]C:501 |
x,y,z |
1_555 |
7 |
1 |
344 |
66.6 |
-3.6 |
0.444 |
0 |
0 |
0 |
0.051 |
25 |
|
[ICS]A:502 |
7 |
1 |
486 |
f |
[HCA]A:501 |
x,y,z |
1_555 |
7 |
1 |
343 |
66.5 |
-1.9 |
0.652 |
0 |
0 |
0 |
0.051 |
| Average: |
66.5 |
-2.8 |
0.548 |
0 |
0 |
0 |
0.051 |
| 16 |
26 |
|
[FE]B:602 |
1 |
1 |
137 |
f |
D |
x,y,z |
1_555 |
11 |
5 |
24226 |
45.2 |
-5.3 |
0.000 |
0 |
0 |
0 |
0.177 |
27 |
|
[FE]D:601 |
1 |
1 |
137 |
f |
B |
x,y,z |
1_555 |
10 |
5 |
24095 |
44.6 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.177 |
| Average: |
44.9 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.177 |
| 17 |
28 |
|
[HCA]C:501 |
7 |
1 |
344 |
◊ |
D |
x,y,z |
1_555 |
6 |
3 |
24226 |
45.0 |
1.4 |
0.569 |
0 |
0 |
0 |
0.000 |
29 |
|
[HCA]A:501 |
8 |
1 |
343 |
◊ |
B |
x,y,z |
1_555 |
6 |
3 |
24095 |
44.7 |
1.0 |
0.476 |
0 |
0 |
0 |
0.000 |
| Average: |
44.9 |
1.2 |
0.523 |
0 |
0 |
0 |
0.000 |
| 18 |
30 |
|
D |
6 |
2 |
24226 |
x |
D |
x-1,y,z |
1_455 |
9 |
2 |
24226 |
42.4 |
-0.7 |
0.463 |
0 |
0 |
0 |
0.000 |
| 19 |
31 |
|
[FE]B:602 |
1 |
1 |
137 |
◊ |
B |
x,y,z |
1_555 |
6 |
2 |
24095 |
39.7 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.159 |
32 |
|
[FE]D:601 |
1 |
1 |
137 |
◊ |
D |
x,y,z |
1_555 |
6 |
2 |
24226 |
39.6 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.159 |
| Average: |
39.7 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.159 |
| 20 |
33 |
|
A |
9 |
6 |
19689 |
◊ |
D |
x-1,y,z |
1_455 |
9 |
4 |
24226 |
38.2 |
-0.2 |
0.615 |
0 |
0 |
0 |
0.000 |
| 21 |
34 |
|
[FE]D:601 |
1 |
1 |
137 |
◊ |
A |
x,y,z |
1_555 |
7 |
3 |
19689 |
33.9 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.023 |
35 |
|
[FE]B:602 |
1 |
1 |
137 |
◊ |
C |
x,y,z |
1_555 |
7 |
3 |
19945 |
33.6 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.023 |
| Average: |
33.7 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.023 |
| 22 |
36 |
|
B |
1 |
1 |
24095 |
x |
B |
x-1,y,z |
1_455 |
1 |
1 |
24095 |
0.4 |
0.0 |
0.640 |
0 |
0 |
0 |
0.000 |
|