| ## |
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 |
|
[AF2]B:211 |
22 |
1 |
466 |
cf |
B |
x,y,z |
1_555 |
34 |
2 |
1856 |
233.3 |
4.4 |
0.658 |
0 |
0 |
0 |
0.000 |
| 2 |
2 |
|
[UFT]A:105 |
19 |
1 |
428 |
cf |
A |
x,y,z |
1_555 |
32 |
2 |
1804 |
209.4 |
3.1 |
0.700 |
0 |
0 |
0 |
0.000 |
| 3 |
3 |
|
[CFZ]B:215 |
20 |
1 |
430 |
cf |
B |
x,y,z |
1_555 |
29 |
2 |
1856 |
204.3 |
2.4 |
0.646 |
2 |
0 |
0 |
0.000 |
| 4 |
4 |
|
[AF2]A:103 |
22 |
1 |
462 |
cf |
A |
x,y,z |
1_555 |
36 |
2 |
1804 |
203.9 |
3.9 |
0.656 |
1 |
0 |
0 |
0.000 |
| 5 |
5 |
|
B |
32 |
4 |
1856 |
◊ |
A |
x,y,z |
1_555 |
29 |
3 |
1804 |
202.8 |
1.1 |
0.790 |
0 |
0 |
0 |
0.000 |
| 6 |
6 |
|
[UFT]B:213 |
20 |
1 |
429 |
cf |
B |
x,y,z |
1_555 |
31 |
2 |
1856 |
180.4 |
2.8 |
0.711 |
1 |
0 |
0 |
0.000 |
| 7 |
7 |
|
[CFZ]A:107 |
18 |
1 |
431 |
cf |
A |
x,y,z |
1_555 |
23 |
2 |
1804 |
158.0 |
-0.1 |
0.488 |
1 |
0 |
0 |
0.008 |
| 8 |
8 |
|
A |
17 |
4 |
1804 |
◊ |
A |
x-y+1/3,-y+2/3,-z+2/3 |
17_555 |
17 |
4 |
1804 |
125.5 |
-5.4 |
0.374 |
0 |
0 |
0 |
0.039 |
| 9 |
9 |
|
[CFZ]A:101 |
14 |
1 |
377 |
◊ |
B |
-x+2/3,-x+y+1/3,-z+1/3 |
12_555 |
17 |
1 |
1856 |
97.4 |
2.5 |
0.362 |
0 |
0 |
0 |
0.000 |
| 10 |
10 |
|
[CFZ]B:209 |
13 |
1 |
380 |
cf |
B |
x,y,z |
1_555 |
13 |
1 |
1856 |
95.2 |
0.4 |
0.186 |
1 |
0 |
0 |
0.002 |
| 11 |
11 |
|
[CFZ]A:101 |
13 |
1 |
377 |
cf |
A |
x,y,z |
1_555 |
14 |
1 |
1804 |
89.6 |
1.3 |
0.222 |
1 |
0 |
0 |
0.000 |
| 12 |
12 |
|
[CFZ]B:209 |
11 |
1 |
380 |
◊ |
A |
x-y+1/3,-y+2/3,-z+2/3 |
17_555 |
12 |
1 |
1804 |
85.8 |
-0.6 |
0.254 |
0 |
0 |
0 |
0.009 |
| 13 |
13 |
|
B |
8 |
2 |
1856 |
◊ |
A |
x-y+1/3,-y+2/3,-z+2/3 |
17_555 |
5 |
1 |
1804 |
64.4 |
-3.1 |
0.341 |
1 |
0 |
0 |
0.051 |
| 14 |
14 |
|
[SR]B:302 |
1 |
1 |
206 |
f |
B |
x,y,z |
1_555 |
9 |
2 |
1856 |
63.4 |
-14.8 |
0.000 |
0 |
0 |
0 |
0.432 |
| 15 |
15 |
|
[CFZ]B:209 |
10 |
1 |
380 |
◊ |
[CFZ]A:107 |
x-y+1/3,-y+2/3,-z+2/3 |
17_555 |
11 |
1 |
431 |
61.9 |
2.4 |
0.352 |
0 |
0 |
0 |
0.000 |
| 16 |
16 |
|
[SR]B:301 |
1 |
1 |
206 |
f |
A |
x-y+1/3,-y+2/3,-z+2/3 |
17_555 |
8 |
1 |
1804 |
57.7 |
-13.5 |
0.000 |
0 |
0 |
0 |
0.202 |
| 17 |
17 |
|
B |
8 |
1 |
1856 |
◊ |
B |
y-1/3,x+1/3,-z+1/3 |
10_455 |
7 |
1 |
1856 |
57.0 |
-0.7 |
0.549 |
0 |
0 |
0 |
0.000 |
| 18 |
18 |
|
[UFT]A:105 |
7 |
1 |
428 |
◊ |
B |
-y,x-y,z |
2_555 |
6 |
1 |
1856 |
53.6 |
1.2 |
0.631 |
0 |
0 |
0 |
0.000 |
| 19 |
19 |
|
[AF2]B:211 |
4 |
1 |
466 |
◊ |
A |
x,y,z |
1_555 |
6 |
2 |
1804 |
52.2 |
-0.5 |
0.429 |
1 |
0 |
0 |
0.014 |
| 20 |
20 |
|
A |
6 |
1 |
1804 |
◊ |
[CFZ]A:107 |
-y,x-y,z |
2_555 |
6 |
1 |
431 |
51.1 |
0.4 |
0.546 |
1 |
0 |
0 |
0.000 |
| 21 |
21 |
|
[CFZ]B:209 |
9 |
1 |
380 |
◊ |
B |
x-y+1/3,-y+2/3,-z+2/3 |
17_555 |
9 |
1 |
1856 |
50.9 |
1.4 |
0.342 |
0 |
0 |
0 |
0.000 |
| 22 |
22 |
|
[CFZ]A:101 |
4 |
1 |
377 |
◊ |
B |
x,y,z |
1_555 |
4 |
1 |
1856 |
50.7 |
-0.1 |
0.347 |
3 |
0 |
0 |
0.021 |
| 23 |
23 |
|
B |
6 |
1 |
1856 |
◊ |
[UFT]B:213 |
-y,x-y,z |
2_555 |
7 |
1 |
429 |
50.7 |
-1.1 |
0.357 |
0 |
0 |
0 |
0.033 |
| 24 |
24 |
|
[CFZ]A:107 |
4 |
1 |
431 |
◊ |
B |
x,y,z |
1_555 |
5 |
1 |
1856 |
50.2 |
-0.3 |
0.460 |
3 |
0 |
0 |
0.024 |
| 25 |
25 |
|
[CFZ]B:215 |
4 |
1 |
430 |
◊ |
A |
x,y,z |
1_555 |
5 |
1 |
1804 |
48.6 |
-0.0 |
0.472 |
3 |
0 |
0 |
0.019 |
| 26 |
26 |
|
[SR]B:301 |
1 |
1 |
206 |
◊ |
[CFZ]B:209 |
x,y,z |
1_555 |
6 |
1 |
380 |
48.2 |
-9.6 |
0.000 |
0 |
0 |
0 |
0.139 |
| 27 |
27 |
|
[SR]B:301 |
1 |
1 |
206 |
◊ |
B |
x,y,z |
1_555 |
5 |
1 |
1856 |
46.5 |
-9.1 |
0.000 |
0 |
0 |
0 |
0.204 |
28 |
|
[SR]B:301 |
1 |
1 |
206 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
1804 |
21.0 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.204 |
| Average: |
33.7 |
-7.1 |
0.000 |
0 |
0 |
0 |
0.204 |
| 28 |
29 |
|
[UFT]A:105 |
5 |
1 |
428 |
◊ |
B |
x,y,z |
1_555 |
4 |
1 |
1856 |
45.9 |
0.7 |
0.554 |
1 |
0 |
0 |
0.000 |
| 29 |
30 |
|
[AF2]B:211 |
7 |
1 |
466 |
◊ |
[CFZ]A:107 |
x,y,z |
1_555 |
9 |
1 |
431 |
45.2 |
1.7 |
0.487 |
0 |
0 |
0 |
0.000 |
31 |
|
[AF2]A:103 |
7 |
1 |
462 |
◊ |
[CFZ]B:215 |
x,y,z |
1_555 |
8 |
1 |
430 |
42.4 |
1.6 |
0.494 |
0 |
0 |
0 |
0.000 |
| Average: |
43.8 |
1.6 |
0.490 |
0 |
0 |
0 |
0.000 |
| 30 |
32 |
|
B |
7 |
1 |
1856 |
x |
B |
-y,x-y,z |
2_555 |
5 |
2 |
1856 |
41.4 |
-0.5 |
0.514 |
0 |
0 |
0 |
0.014 |
| 31 |
33 |
|
[SR]B:302 |
1 |
1 |
206 |
f |
[UFT]B:213 |
x,y,z |
1_555 |
3 |
1 |
429 |
40.7 |
-8.3 |
0.000 |
0 |
0 |
0 |
0.244 |
| 32 |
34 |
|
[AF2]A:103 |
3 |
1 |
462 |
◊ |
B |
x,y,z |
1_555 |
6 |
2 |
1856 |
40.6 |
-0.7 |
0.438 |
1 |
0 |
0 |
0.016 |
| 33 |
35 |
|
[UFT]B:213 |
5 |
1 |
429 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
1804 |
40.4 |
0.8 |
0.573 |
1 |
0 |
0 |
0.000 |
| 34 |
36 |
|
[CFZ]B:215 |
4 |
1 |
430 |
◊ |
B |
y-1/3,x+1/3,-z+1/3 |
10_455 |
7 |
1 |
1856 |
39.5 |
1.6 |
0.626 |
0 |
0 |
0 |
0.000 |
| 35 |
37 |
|
[CFZ]A:101 |
4 |
1 |
377 |
◊ |
[AF2]A:103 |
-y+1,x-y+1,z |
2_665 |
5 |
1 |
462 |
39.5 |
1.1 |
0.344 |
0 |
0 |
0 |
0.000 |
| 36 |
38 |
|
[AF2]A:103 |
8 |
1 |
462 |
◊ |
A |
x-y+1/3,-y+2/3,-z+2/3 |
17_555 |
5 |
1 |
1804 |
38.9 |
-1.6 |
0.255 |
0 |
0 |
0 |
0.023 |
| 37 |
39 |
|
[SR]B:302 |
1 |
1 |
206 |
◊ |
A |
x,y,z |
1_555 |
5 |
2 |
1804 |
38.2 |
-7.8 |
0.000 |
0 |
0 |
0 |
0.112 |
| 38 |
40 |
|
[UFT]A:105 |
5 |
1 |
428 |
◊ |
[AF2]B:211 |
-y,x-y,z |
2_555 |
4 |
1 |
466 |
37.7 |
1.8 |
0.569 |
0 |
0 |
0 |
0.000 |
| 39 |
41 |
|
[CFZ]A:101 |
6 |
1 |
377 |
◊ |
[CFZ]A:101 |
-x+2/3,-x+y+1/3,-z+1/3 |
12_555 |
5 |
1 |
377 |
37.5 |
0.8 |
0.180 |
0 |
0 |
0 |
0.000 |
| 40 |
42 |
|
[SR]B:303 |
1 |
1 |
206 |
x |
[UFT]B:213 |
x,y,z |
1_555 |
6 |
1 |
429 |
33.4 |
-7.4 |
0.000 |
0 |
0 |
0 |
0.216 |
| 41 |
43 |
|
A |
3 |
1 |
1804 |
◊ |
[AF2]A:103 |
-y+1,x-y+1,z |
2_665 |
7 |
1 |
462 |
33.3 |
0.6 |
0.484 |
0 |
0 |
0 |
0.000 |
| 42 |
44 |
|
B |
4 |
1 |
1856 |
◊ |
A |
y-1/3,x+1/3,-z+1/3 |
10_455 |
3 |
1 |
1804 |
31.4 |
-0.3 |
0.511 |
2 |
0 |
0 |
0.000 |
| 43 |
45 |
|
[CFZ]A:107 |
4 |
1 |
431 |
x |
[CFZ]A:107 |
-y,x-y,z |
2_555 |
4 |
1 |
431 |
30.1 |
0.1 |
0.378 |
0 |
0 |
0 |
0.000 |
| 44 |
46 |
|
A |
4 |
1 |
1804 |
◊ |
B |
-y,x-y,z |
2_555 |
5 |
1 |
1856 |
30.0 |
-0.6 |
0.478 |
0 |
0 |
0 |
0.000 |
| 45 |
47 |
|
[AF2]B:211 |
4 |
1 |
466 |
◊ |
A |
x-y+1/3,-y+2/3,-z+2/3 |
17_555 |
4 |
1 |
1804 |
29.2 |
0.9 |
0.523 |
0 |
0 |
0 |
0.000 |
| 46 |
48 |
|
[AF2]A:103 |
6 |
1 |
462 |
◊ |
B |
y-1/3,x+1/3,-z+1/3 |
10_455 |
4 |
1 |
1856 |
28.0 |
-0.1 |
0.451 |
0 |
0 |
0 |
0.000 |
| 47 |
49 |
|
[CFZ]B:215 |
3 |
1 |
430 |
◊ |
[CFZ]B:215 |
y-1/3,x+1/3,-z+1/3 |
10_455 |
3 |
1 |
430 |
27.5 |
0.8 |
0.445 |
1 |
0 |
0 |
0.000 |
| 48 |
50 |
|
A |
3 |
1 |
1804 |
x |
A |
-y+1,x-y+1,z |
2_665 |
4 |
2 |
1804 |
26.0 |
-0.5 |
0.461 |
0 |
0 |
0 |
0.000 |
| 49 |
51 |
|
[SR]B:302 |
1 |
1 |
206 |
f |
[AF2]B:211 |
x,y,z |
1_555 |
6 |
1 |
466 |
24.1 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.138 |
| 50 |
52 |
|
[SR]B:301 |
1 |
1 |
206 |
◊ |
A |
-y+1,x-y+1,z |
2_665 |
3 |
1 |
1804 |
23.9 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.000 |
| 51 |
53 |
|
[SR]B:303 |
1 |
1 |
206 |
x |
B |
x,y,z |
1_555 |
4 |
1 |
1856 |
23.8 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.157 |
| 52 |
54 |
|
[UFT]B:213 |
3 |
1 |
429 |
x |
[UFT]B:213 |
-y,x-y,z |
2_555 |
4 |
1 |
429 |
23.7 |
1.0 |
0.560 |
0 |
0 |
0 |
0.000 |
| 53 |
55 |
|
B |
5 |
1 |
1856 |
◊ |
B |
-x+2/3,-x+y+1/3,-z+1/3 |
12_555 |
5 |
1 |
1856 |
23.2 |
0.2 |
0.607 |
0 |
0 |
0 |
0.000 |
| 54 |
56 |
|
[SR]B:302 |
1 |
1 |
206 |
◊ |
[AF2]A:103 |
x,y,z |
1_555 |
1 |
1 |
462 |
22.8 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.060 |
| 55 |
57 |
|
[CFZ]B:209 |
4 |
1 |
380 |
◊ |
[CFZ]B:209 |
x-y+1/3,-y+2/3,-z+2/3 |
17_555 |
4 |
1 |
380 |
22.7 |
0.3 |
0.182 |
0 |
0 |
0 |
0.000 |
| 56 |
58 |
|
[UFT]B:213 |
5 |
1 |
429 |
◊ |
[UFT]A:105 |
x,y,z |
1_555 |
5 |
1 |
428 |
22.6 |
0.5 |
0.489 |
0 |
0 |
0 |
0.000 |
| 57 |
59 |
|
A |
4 |
1 |
1804 |
x |
A |
-y,x-y,z |
2_555 |
3 |
1 |
1804 |
20.5 |
-1.2 |
0.407 |
0 |
0 |
0 |
0.000 |
| 58 |
60 |
|
[CFZ]B:209 |
2 |
1 |
380 |
◊ |
A |
-y+1,x-y+1,z |
2_665 |
1 |
1 |
1804 |
16.0 |
-0.5 |
0.274 |
0 |
0 |
0 |
0.000 |
| 59 |
61 |
|
[UFT]A:105 |
3 |
1 |
428 |
◊ |
[AF2]B:211 |
x,y,z |
1_555 |
2 |
1 |
466 |
15.7 |
-0.0 |
0.381 |
0 |
0 |
0 |
0.000 |
62 |
|
[UFT]B:213 |
3 |
1 |
429 |
◊ |
[AF2]A:103 |
x,y,z |
1_555 |
2 |
1 |
462 |
15.4 |
0.1 |
0.414 |
0 |
0 |
0 |
0.000 |
| Average: |
15.6 |
0.1 |
0.397 |
0 |
0 |
0 |
0.000 |
| 60 |
63 |
|
[CFZ]A:101 |
2 |
1 |
377 |
◊ |
A |
-y+1,x-y+1,z |
2_665 |
2 |
1 |
1804 |
15.3 |
-0.6 |
0.286 |
1 |
0 |
0 |
0.000 |
| 61 |
64 |
|
[CFZ]A:107 |
1 |
1 |
431 |
◊ |
A |
x-y+1/3,-y+2/3,-z+2/3 |
17_555 |
1 |
1 |
1804 |
14.3 |
0.3 |
0.468 |
0 |
0 |
0 |
0.000 |
| 62 |
65 |
|
[SR]B:301 |
1 |
1 |
206 |
◊ |
[AF2]A:103 |
-y+1,x-y+1,z |
2_665 |
3 |
1 |
462 |
11.9 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.000 |
| 63 |
66 |
|
[CFZ]B:209 |
1 |
1 |
380 |
◊ |
[CFZ]A:107 |
x,y,z |
1_555 |
1 |
1 |
431 |
10.6 |
0.0 |
0.321 |
0 |
0 |
0 |
0.000 |
67 |
|
[CFZ]B:215 |
1 |
1 |
430 |
◊ |
[CFZ]A:101 |
x,y,z |
1_555 |
1 |
1 |
377 |
10.3 |
0.0 |
0.321 |
0 |
0 |
0 |
0.000 |
| Average: |
10.4 |
0.0 |
0.321 |
0 |
0 |
0 |
0.000 |
| 64 |
68 |
|
[CFZ]A:107 |
1 |
1 |
431 |
◊ |
A |
-y,x-y,z |
2_555 |
3 |
1 |
1804 |
10.4 |
-0.4 |
0.286 |
0 |
0 |
0 |
0.000 |
| 65 |
69 |
|
[CFZ]B:215 |
2 |
1 |
430 |
◊ |
B |
-y,x-y,z |
2_555 |
1 |
1 |
1856 |
10.2 |
-0.4 |
0.279 |
0 |
0 |
0 |
0.011 |
| 66 |
70 |
|
[UFT]A:105 |
2 |
1 |
428 |
◊ |
[CFZ]A:107 |
-y,x-y,z |
2_555 |
3 |
1 |
431 |
9.1 |
0.0 |
0.376 |
0 |
0 |
0 |
0.000 |
| 67 |
71 |
|
[SR]B:301 |
1 |
1 |
206 |
◊ |
[CFZ]A:101 |
x,y,z |
1_555 |
3 |
1 |
377 |
8.1 |
-1.4 |
0.000 |
0 |
0 |
0 |
0.020 |
| 68 |
72 |
|
A |
2 |
1 |
1804 |
◊ |
[AF2]B:211 |
-y,x-y,z |
2_555 |
2 |
1 |
466 |
8.0 |
-0.3 |
0.345 |
0 |
0 |
0 |
0.000 |
| 69 |
73 |
|
A |
2 |
1 |
1804 |
x |
A |
-x+1/3,-x+y-1/3,-z+2/3 |
18_545 |
2 |
1 |
1804 |
6.9 |
-0.6 |
0.386 |
0 |
0 |
0 |
0.000 |
| 70 |
74 |
|
[UFT]B:213 |
2 |
1 |
429 |
◊ |
B |
-y,x-y,z |
2_555 |
2 |
2 |
1856 |
6.8 |
-0.0 |
0.405 |
0 |
0 |
0 |
0.000 |
| 71 |
75 |
|
[CFZ]B:215 |
2 |
1 |
430 |
◊ |
[UFT]B:213 |
-y,x-y,z |
2_555 |
1 |
1 |
429 |
6.7 |
-0.4 |
0.239 |
0 |
0 |
0 |
0.013 |
| 72 |
76 |
|
[SR]B:303 |
1 |
1 |
206 |
x |
[UFT]A:105 |
x,y,z |
1_555 |
1 |
1 |
428 |
6.2 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.000 |
| 73 |
77 |
|
[SR]B:302 |
1 |
1 |
206 |
◊ |
[CFZ]A:101 |
x,y,z |
1_555 |
3 |
1 |
377 |
4.9 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.013 |
| 74 |
78 |
|
[SR]B:302 |
1 |
1 |
206 |
◊ |
[UFT]A:105 |
x,y,z |
1_555 |
1 |
1 |
428 |
2.6 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.008 |
| 75 |
79 |
|
[UFT]A:105 |
1 |
1 |
428 |
◊ |
A |
-y,x-y,z |
2_555 |
1 |
1 |
1804 |
2.3 |
-0.1 |
0.309 |
0 |
0 |
0 |
0.000 |
| 76 |
80 |
|
[SR]B:302 |
1 |
1 |
206 |
f |
[CFZ]B:215 |
x,y,z |
1_555 |
1 |
1 |
430 |
2.2 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.012 |
| 77 |
81 |
|
[SR]B:303 |
1 |
1 |
206 |
x |
A |
x,y,z |
1_555 |
1 |
1 |
1804 |
2.1 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.000 |
| 78 |
82 |
|
A |
2 |
1 |
1804 |
◊ |
[UFT]B:213 |
-y,x-y,z |
2_555 |
1 |
1 |
429 |
2.0 |
-0.1 |
0.340 |
0 |
0 |
0 |
0.000 |
| 79 |
83 |
|
[UFT]A:105 |
1 |
1 |
428 |
◊ |
A |
x-y+1/3,-y+2/3,-z+2/3 |
17_555 |
1 |
1 |
1804 |
1.7 |
-0.0 |
0.409 |
0 |
0 |
0 |
0.000 |
| 80 |
84 |
|
[SR]B:301 |
1 |
1 |
206 |
◊ |
[AF2]B:211 |
x,y,z |
1_555 |
1 |
1 |
466 |
0.6 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.002 |
| 81 |
85 |
|
A |
1 |
1 |
1804 |
◊ |
[CFZ]B:209 |
y-2/3,x-1/3,-z+2/3 |
16_445 |
1 |
1 |
380 |
0.5 |
-0.0 |
0.300 |
0 |
0 |
0 |
0.000 |
| 82 |
86 |
|
[CFZ]B:215 |
1 |
1 |
430 |
◊ |
[CFZ]A:101 |
-x+2/3,-x+y+1/3,-z+1/3 |
12_555 |
1 |
1 |
377 |
0.4 |
0.0 |
0.321 |
0 |
0 |
0 |
0.000 |
| 83 |
87 |
|
B |
1 |
1 |
1856 |
◊ |
B |
x-y+1/3,-y+2/3,-z+2/3 |
17_555 |
1 |
1 |
1856 |
0.3 |
0.0 |
0.471 |
0 |
0 |
0 |
0.000 |
|