| ## |
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 |
472 |
117 |
24182 |
◊ |
C |
x,y,z |
1_555 |
467 |
129 |
19739 |
4438.9 |
-52.2 |
0.014 |
57 |
20 |
0 |
0.529 |
2 |
|
B |
471 |
116 |
24243 |
◊ |
A |
x,y,z |
1_555 |
470 |
127 |
19766 |
4431.6 |
-52.2 |
0.018 |
58 |
18 |
0 |
0.529 |
| Average: |
4435.3 |
-52.2 |
0.016 |
58 |
19 |
0 |
0.529 |
| 2 |
3 |
|
D |
311 |
78 |
24182 |
◊ |
B |
x,y,z |
1_555 |
312 |
77 |
24243 |
2862.1 |
-19.0 |
0.477 |
42 |
28 |
0 |
0.643 |
| 3 |
4 |
|
B |
139 |
36 |
24243 |
◊ |
C |
x,y,z |
1_555 |
152 |
38 |
19739 |
1292.5 |
-16.6 |
0.130 |
15 |
6 |
0 |
0.299 |
5 |
|
D |
142 |
35 |
24182 |
◊ |
A |
x,y,z |
1_555 |
152 |
38 |
19766 |
1280.1 |
-16.5 |
0.146 |
17 |
6 |
0 |
0.299 |
| Average: |
1286.3 |
-16.5 |
0.138 |
16 |
6 |
0 |
0.299 |
| 4 |
6 |
|
[ICS]A:502 |
17 |
1 |
488 |
f |
A |
x,y,z |
1_555 |
47 |
18 |
19766 |
312.8 |
-18.4 |
0.761 |
6 |
0 |
0 |
0.252 |
7 |
|
[ICS]C:502 |
17 |
1 |
488 |
f |
C |
x,y,z |
1_555 |
46 |
17 |
19739 |
311.7 |
-18.4 |
0.744 |
5 |
0 |
0 |
0.252 |
| Average: |
312.2 |
-18.4 |
0.753 |
6 |
0 |
0 |
0.252 |
| 5 |
8 |
|
C |
35 |
13 |
19739 |
◊ |
A |
x,y,z-1 |
1_554 |
38 |
13 |
19766 |
287.5 |
2.0 |
0.854 |
3 |
4 |
0 |
0.000 |
| 6 |
9 |
|
C |
29 |
9 |
19739 |
◊ |
B |
x,y,z-1 |
1_554 |
32 |
9 |
24243 |
276.6 |
-0.3 |
0.644 |
3 |
3 |
0 |
0.000 |
10 |
|
D |
33 |
8 |
24182 |
◊ |
A |
x,y,z-1 |
1_554 |
27 |
7 |
19766 |
267.9 |
-0.9 |
0.614 |
2 |
2 |
0 |
0.000 |
| Average: |
272.3 |
-0.6 |
0.629 |
3 |
3 |
0 |
0.000 |
| 7 |
11 |
|
A |
42 |
20 |
19766 |
◊ |
B |
-x+1,y-1/2,-z+1 |
2_646 |
24 |
11 |
24243 |
262.6 |
1.3 |
0.778 |
1 |
1 |
0 |
0.000 |
12 |
|
D |
18 |
9 |
24182 |
◊ |
C |
-x+1,y-1/2,-z |
2_645 |
39 |
18 |
19739 |
208.4 |
1.9 |
0.828 |
1 |
1 |
0 |
0.000 |
| Average: |
235.5 |
1.6 |
0.803 |
1 |
1 |
0 |
0.000 |
| 8 |
13 |
|
[HCA]C:501 |
13 |
1 |
344 |
f |
C |
x,y,z |
1_555 |
39 |
18 |
19739 |
201.2 |
1.9 |
0.514 |
5 |
0 |
0 |
0.004 |
14 |
|
[HCA]A:501 |
13 |
1 |
343 |
f |
A |
x,y,z |
1_555 |
36 |
17 |
19766 |
200.1 |
2.0 |
0.531 |
5 |
0 |
0 |
0.004 |
| Average: |
200.6 |
1.9 |
0.523 |
5 |
0 |
0 |
0.004 |
| 9 |
15 |
|
C |
23 |
7 |
19739 |
◊ |
B |
x-1,y,z-1 |
1_454 |
23 |
8 |
24243 |
197.0 |
-0.4 |
0.641 |
2 |
1 |
0 |
0.000 |
| 10 |
16 |
|
A |
23 |
8 |
19766 |
◊ |
B |
x-1,y,z |
1_455 |
23 |
9 |
24243 |
191.7 |
-1.7 |
0.469 |
1 |
0 |
0 |
0.000 |
| 11 |
17 |
|
[CLF]A:503 |
12 |
1 |
466 |
f |
A |
x,y,z |
1_555 |
27 |
10 |
19766 |
186.6 |
-19.8 |
0.076 |
0 |
0 |
0 |
0.240 |
18 |
|
[CLF]C:503 |
12 |
1 |
467 |
f |
C |
x,y,z |
1_555 |
27 |
10 |
19739 |
186.5 |
-19.8 |
0.075 |
0 |
0 |
0 |
0.240 |
| Average: |
186.6 |
-19.8 |
0.075 |
0 |
0 |
0 |
0.240 |
| 12 |
19 |
|
[CLF]C:503 |
13 |
1 |
467 |
◊ |
D |
x,y,z |
1_555 |
25 |
11 |
24182 |
183.3 |
-18.2 |
0.089 |
0 |
0 |
0 |
0.120 |
20 |
|
[CLF]A:503 |
13 |
1 |
466 |
◊ |
B |
x,y,z |
1_555 |
25 |
11 |
24243 |
181.6 |
-18.0 |
0.094 |
0 |
0 |
0 |
0.120 |
| Average: |
182.4 |
-18.1 |
0.091 |
0 |
0 |
0 |
0.120 |
| 13 |
21 |
|
A |
19 |
6 |
19766 |
x |
A |
-x+1,y-1/2,-z+1 |
2_646 |
20 |
5 |
19766 |
171.2 |
-1.4 |
0.446 |
1 |
0 |
0 |
0.000 |
22 |
|
C |
18 |
5 |
19739 |
x |
C |
-x+1,y-1/2,-z |
2_645 |
17 |
5 |
19739 |
162.3 |
-1.7 |
0.361 |
1 |
0 |
0 |
0.000 |
| Average: |
166.8 |
-1.5 |
0.403 |
1 |
0 |
0 |
0.000 |
| 14 |
23 |
|
B |
14 |
4 |
24243 |
◊ |
D |
x-1,y,z |
1_455 |
13 |
5 |
24182 |
118.9 |
-0.5 |
0.585 |
0 |
0 |
0 |
0.000 |
| 15 |
24 |
|
[XE]B:602 |
1 |
1 |
159 |
f |
B |
x,y,z |
1_555 |
19 |
9 |
24243 |
99.3 |
-1.9 |
0.000 |
0 |
0 |
0 |
0.058 |
25 |
|
[XE]D:601 |
1 |
1 |
159 |
f |
D |
x,y,z |
1_555 |
19 |
9 |
24182 |
98.6 |
-1.9 |
0.000 |
0 |
0 |
0 |
0.058 |
| Average: |
98.9 |
-1.9 |
0.000 |
0 |
0 |
0 |
0.058 |
| 16 |
26 |
|
[XE]C:504 |
1 |
1 |
159 |
f |
C |
x,y,z |
1_555 |
16 |
8 |
19739 |
96.2 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.026 |
27 |
|
[XE]A:504 |
1 |
1 |
159 |
f |
A |
x,y,z |
1_555 |
14 |
8 |
19766 |
93.7 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.026 |
| Average: |
94.9 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.026 |
| 17 |
28 |
|
[XE]C:505 |
1 |
1 |
159 |
f |
C |
x,y,z |
1_555 |
13 |
7 |
19739 |
91.8 |
-1.4 |
0.000 |
0 |
0 |
0 |
0.017 |
29 |
|
[XE]A:505 |
1 |
1 |
159 |
f |
A |
x,y,z |
1_555 |
14 |
7 |
19766 |
91.5 |
-1.4 |
0.000 |
0 |
0 |
0 |
0.017 |
| Average: |
91.7 |
-1.4 |
0.000 |
0 |
0 |
0 |
0.017 |
| 18 |
30 |
|
[ICS]C:502 |
7 |
1 |
488 |
f |
[HCA]C:501 |
x,y,z |
1_555 |
7 |
1 |
344 |
67.9 |
-3.5 |
0.440 |
0 |
0 |
0 |
0.043 |
31 |
|
[ICS]A:502 |
7 |
1 |
488 |
f |
[HCA]A:501 |
x,y,z |
1_555 |
8 |
1 |
343 |
67.6 |
-3.6 |
0.406 |
0 |
0 |
0 |
0.043 |
| Average: |
67.7 |
-3.6 |
0.423 |
0 |
0 |
0 |
0.043 |
| 19 |
32 |
|
D |
6 |
2 |
24182 |
x |
D |
x-1,y,z |
1_455 |
4 |
2 |
24182 |
46.2 |
-0.2 |
0.562 |
0 |
0 |
0 |
0.000 |
| 20 |
33 |
|
[HCA]A:501 |
7 |
1 |
343 |
◊ |
B |
x,y,z |
1_555 |
6 |
3 |
24243 |
42.2 |
1.3 |
0.553 |
0 |
0 |
0 |
0.000 |
34 |
|
[HCA]C:501 |
7 |
1 |
344 |
◊ |
D |
x,y,z |
1_555 |
6 |
3 |
24182 |
41.9 |
1.2 |
0.579 |
0 |
0 |
0 |
0.000 |
| Average: |
42.0 |
1.2 |
0.566 |
0 |
0 |
0 |
0.000 |
| 21 |
35 |
|
[FE]B:603 |
1 |
1 |
137 |
◊ |
B |
x,y,z |
1_555 |
10 |
6 |
24243 |
42.1 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.147 |
36 |
|
[FE]B:601 |
1 |
1 |
137 |
◊ |
D |
x,y,z |
1_555 |
10 |
6 |
24182 |
41.8 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.147 |
| Average: |
41.9 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.147 |
| 22 |
37 |
|
[FE]B:603 |
1 |
1 |
137 |
f |
D |
x,y,z |
1_555 |
6 |
2 |
24182 |
40.5 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.152 |
38 |
|
[FE]B:601 |
1 |
1 |
137 |
f |
B |
x,y,z |
1_555 |
6 |
2 |
24243 |
40.4 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.152 |
| Average: |
40.4 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.152 |
| 23 |
39 |
|
[FE]B:601 |
1 |
1 |
137 |
◊ |
C |
x,y,z |
1_555 |
7 |
3 |
19739 |
36.0 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.044 |
40 |
|
[FE]B:603 |
1 |
1 |
137 |
◊ |
A |
x,y,z |
1_555 |
8 |
3 |
19766 |
35.5 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.044 |
| Average: |
35.7 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.044 |
| 24 |
41 |
|
A |
2 |
1 |
19766 |
◊ |
D |
x-1,y,z |
1_455 |
4 |
2 |
24182 |
17.4 |
0.5 |
0.724 |
0 |
0 |
0 |
0.000 |
|