| ## |
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 |
|
E |
64 |
15 |
8592 |
◊ |
A |
-y+1,x-y,z+1/3 |
2_655 |
61 |
19 |
8709 |
593.4 |
-1.8 |
0.608 |
9 |
1 |
0 |
0.000 |
2 |
|
D |
62 |
18 |
8673 |
◊ |
B |
-y,x-y,z+1/3 |
2_555 |
60 |
14 |
8551 |
566.5 |
-2.6 |
0.558 |
10 |
3 |
0 |
0.000 |
3 |
|
B |
65 |
20 |
8551 |
◊ |
F |
-y,x-y,z-2/3 |
2_554 |
60 |
14 |
8744 |
553.3 |
-3.5 |
0.476 |
6 |
1 |
0 |
0.000 |
4 |
|
C |
60 |
13 |
8737 |
◊ |
E |
-y+1,x-y,z-2/3 |
2_654 |
58 |
17 |
8592 |
527.2 |
-0.9 |
0.672 |
7 |
2 |
0 |
0.000 |
| Average: |
560.1 |
-2.2 |
0.579 |
8 |
2 |
0 |
0.000 |
| 2 |
5 |
|
E |
64 |
20 |
8592 |
◊ |
B |
x,y,z |
1_555 |
62 |
20 |
8551 |
555.3 |
-1.4 |
0.668 |
5 |
0 |
0 |
0.000 |
| 3 |
6 |
|
C |
73 |
23 |
8737 |
◊ |
B |
x,y,z |
1_555 |
62 |
18 |
8551 |
546.7 |
-8.1 |
0.146 |
9 |
2 |
0 |
0.060 |
7 |
|
F |
75 |
23 |
8744 |
◊ |
E |
x,y,z |
1_555 |
62 |
17 |
8592 |
542.4 |
-7.8 |
0.157 |
9 |
2 |
0 |
0.060 |
| Average: |
544.5 |
-7.9 |
0.152 |
9 |
2 |
0 |
0.060 |
| 4 |
8 |
|
C |
63 |
19 |
8737 |
◊ |
A |
-y+1,x-y,z+1/3 |
2_655 |
54 |
13 |
8709 |
482.1 |
-3.9 |
0.419 |
1 |
0 |
0 |
0.000 |
9 |
|
D |
51 |
13 |
8673 |
◊ |
F |
-y,x-y,z+1/3 |
2_555 |
66 |
18 |
8744 |
466.5 |
-3.6 |
0.452 |
3 |
0 |
0 |
0.000 |
| Average: |
474.3 |
-3.8 |
0.436 |
2 |
0 |
0 |
0.000 |
| 5 |
10 |
|
E |
65 |
22 |
8592 |
◊ |
D |
x,y,z |
1_555 |
51 |
14 |
8673 |
474.1 |
-8.3 |
0.109 |
9 |
1 |
0 |
0.059 |
11 |
|
B |
69 |
22 |
8551 |
◊ |
A |
x,y,z |
1_555 |
50 |
14 |
8709 |
470.8 |
-6.7 |
0.157 |
9 |
2 |
0 |
0.059 |
| Average: |
472.4 |
-7.5 |
0.133 |
9 |
2 |
0 |
0.059 |
| 6 |
12 |
|
D |
54 |
18 |
8673 |
◊ |
F |
-y,x-y,z-2/3 |
2_554 |
34 |
9 |
8744 |
369.0 |
-5.3 |
0.179 |
4 |
1 |
0 |
0.063 |
13 |
|
C |
31 |
8 |
8737 |
◊ |
A |
-y+1,x-y,z-2/3 |
2_654 |
54 |
19 |
8709 |
352.8 |
-6.0 |
0.104 |
4 |
1 |
0 |
0.063 |
| Average: |
360.9 |
-5.7 |
0.142 |
4 |
1 |
0 |
0.063 |
| 7 |
14 |
|
B |
30 |
12 |
8551 |
◊ |
E |
x,y,z-1 |
1_554 |
21 |
11 |
8592 |
257.7 |
3.0 |
0.889 |
1 |
0 |
0 |
0.000 |
| 8 |
15 |
|
[HAE]D:574 |
5 |
1 |
200 |
f |
D |
x,y,z |
1_555 |
16 |
8 |
8673 |
103.4 |
1.3 |
0.318 |
2 |
0 |
0 |
0.000 |
| 9 |
16 |
|
[HAE]A:874 |
5 |
1 |
202 |
f |
A |
x,y,z |
1_555 |
16 |
8 |
8709 |
101.5 |
1.2 |
0.323 |
3 |
0 |
0 |
0.000 |
| 10 |
17 |
|
[ACT]B:374 |
4 |
1 |
181 |
f |
B |
x,y,z |
1_555 |
16 |
8 |
8551 |
87.5 |
-1.5 |
0.359 |
1 |
0 |
0 |
0.009 |
| 11 |
18 |
|
[ACT]E:674 |
4 |
1 |
184 |
f |
E |
x,y,z |
1_555 |
14 |
8 |
8592 |
87.4 |
-1.3 |
0.315 |
3 |
0 |
0 |
0.013 |
| 12 |
19 |
|
[AZI]F:774 |
3 |
1 |
160 |
f |
F |
x,y,z |
1_555 |
14 |
8 |
8744 |
73.9 |
-0.1 |
0.420 |
0 |
0 |
0 |
0.000 |
| 13 |
20 |
|
[AZI]C:474 |
3 |
1 |
160 |
f |
C |
x,y,z |
1_555 |
14 |
8 |
8737 |
73.1 |
0.1 |
0.446 |
0 |
0 |
0 |
0.000 |
| 14 |
21 |
|
F |
8 |
3 |
8744 |
◊ |
D |
-y,x-y,z+1/3 |
2_555 |
7 |
2 |
8673 |
70.0 |
0.3 |
0.472 |
1 |
0 |
0 |
0.000 |
22 |
|
A |
9 |
2 |
8709 |
◊ |
C |
-y+1,x-y,z+1/3 |
2_655 |
7 |
3 |
8737 |
53.0 |
-0.3 |
0.481 |
0 |
0 |
0 |
0.000 |
| Average: |
61.5 |
0.0 |
0.477 |
1 |
0 |
0 |
0.000 |
| 15 |
23 |
|
F |
9 |
4 |
8744 |
x |
F |
-y,x-y,z+1/3 |
2_555 |
4 |
1 |
8744 |
53.7 |
1.3 |
0.811 |
1 |
1 |
0 |
0.000 |
24 |
|
C |
7 |
2 |
8737 |
x |
C |
-y+1,x-y,z+1/3 |
2_655 |
11 |
4 |
8737 |
52.6 |
1.2 |
0.762 |
2 |
1 |
0 |
0.000 |
| Average: |
53.1 |
1.2 |
0.786 |
2 |
1 |
0 |
0.000 |
| 16 |
25 |
|
[CA]E:672 |
1 |
1 |
85 |
f |
E |
x,y,z |
1_555 |
10 |
7 |
8592 |
45.9 |
-12.4 |
0.000 |
0 |
0 |
0 |
0.192 |
26 |
|
[CA]A:872 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
10 |
8 |
8709 |
45.7 |
-12.3 |
0.000 |
0 |
0 |
0 |
0.192 |
27 |
|
[CA]B:372 |
1 |
1 |
85 |
f |
B |
x,y,z |
1_555 |
8 |
7 |
8551 |
45.5 |
-12.0 |
0.000 |
0 |
0 |
0 |
0.192 |
28 |
|
[CA]F:772 |
1 |
1 |
85 |
f |
F |
x,y,z |
1_555 |
10 |
7 |
8744 |
45.5 |
-11.8 |
0.000 |
0 |
0 |
0 |
0.192 |
29 |
|
[CA]C:472 |
1 |
1 |
85 |
f |
C |
x,y,z |
1_555 |
8 |
6 |
8737 |
45.3 |
-11.9 |
0.000 |
0 |
0 |
0 |
0.192 |
30 |
|
[CA]D:572 |
1 |
1 |
85 |
f |
D |
x,y,z |
1_555 |
8 |
7 |
8673 |
45.2 |
-12.2 |
0.000 |
0 |
0 |
0 |
0.192 |
| Average: |
45.5 |
-12.1 |
0.000 |
0 |
0 |
0 |
0.192 |
| 17 |
31 |
|
[ACT]E:674 |
4 |
1 |
184 |
◊ |
D |
x,y,z |
1_555 |
7 |
2 |
8673 |
45.3 |
-0.0 |
0.654 |
1 |
0 |
0 |
0.002 |
| 18 |
32 |
|
[CA]D:573 |
1 |
1 |
85 |
f |
D |
x,y,z |
1_555 |
8 |
6 |
8673 |
44.5 |
-11.5 |
0.000 |
0 |
0 |
0 |
0.176 |
33 |
|
[CA]B:373 |
1 |
1 |
85 |
f |
B |
x,y,z |
1_555 |
8 |
5 |
8551 |
43.7 |
-11.5 |
0.000 |
0 |
0 |
0 |
0.176 |
34 |
|
[CA]E:673 |
1 |
1 |
85 |
f |
E |
x,y,z |
1_555 |
8 |
5 |
8592 |
43.7 |
-11.6 |
0.000 |
0 |
0 |
0 |
0.176 |
35 |
|
[CA]A:873 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
8 |
5 |
8709 |
43.5 |
-11.4 |
0.000 |
0 |
0 |
0 |
0.176 |
36 |
|
[CA]C:473 |
1 |
1 |
85 |
f |
C |
x,y,z |
1_555 |
7 |
4 |
8737 |
40.3 |
-10.7 |
0.000 |
0 |
0 |
0 |
0.176 |
37 |
|
[CA]F:773 |
1 |
1 |
85 |
f |
F |
x,y,z |
1_555 |
8 |
5 |
8744 |
39.8 |
-10.6 |
0.000 |
0 |
0 |
0 |
0.176 |
| Average: |
42.6 |
-11.2 |
0.000 |
0 |
0 |
0 |
0.176 |
| 19 |
38 |
|
D |
4 |
1 |
8673 |
◊ |
E |
-y,x-y,z+1/3 |
2_555 |
6 |
2 |
8592 |
43.6 |
0.1 |
0.648 |
0 |
0 |
0 |
0.000 |
39 |
|
B |
6 |
2 |
8551 |
◊ |
A |
-y+1,x-y,z+1/3 |
2_655 |
4 |
1 |
8709 |
42.7 |
0.3 |
0.659 |
0 |
0 |
0 |
0.000 |
| Average: |
43.1 |
0.2 |
0.654 |
0 |
0 |
0 |
0.000 |
| 20 |
40 |
|
[ACT]B:374 |
4 |
1 |
181 |
◊ |
A |
x,y,z |
1_555 |
8 |
2 |
8709 |
41.3 |
0.2 |
0.714 |
1 |
0 |
0 |
0.001 |
| 21 |
41 |
|
[AZI]F:774 |
3 |
1 |
160 |
◊ |
E |
x,y,z |
1_555 |
5 |
2 |
8592 |
40.6 |
0.4 |
0.419 |
0 |
0 |
0 |
0.000 |
| 22 |
42 |
|
[AZI]C:474 |
3 |
1 |
160 |
◊ |
B |
x,y,z |
1_555 |
5 |
2 |
8551 |
39.7 |
0.5 |
0.431 |
0 |
0 |
0 |
0.000 |
| 23 |
43 |
|
C |
3 |
1 |
8737 |
◊ |
[HAE]A:874 |
-y+1,x-y,z-2/3 |
2_654 |
4 |
1 |
202 |
35.5 |
0.8 |
0.912 |
0 |
0 |
0 |
0.000 |
| 24 |
44 |
|
[ZN]B:369 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
8 |
4 |
8551 |
34.7 |
-23.9 |
0.000 |
0 |
0 |
0 |
0.346 |
45 |
|
[ZN]E:669 |
1 |
1 |
98 |
f |
E |
x,y,z |
1_555 |
8 |
5 |
8592 |
33.6 |
-23.5 |
0.000 |
0 |
0 |
0 |
0.346 |
46 |
|
[ZN]D:569 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
7 |
5 |
8673 |
33.5 |
-22.5 |
0.000 |
0 |
0 |
0 |
0.346 |
47 |
|
[ZN]A:869 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
8 |
4 |
8709 |
33.1 |
-21.8 |
0.000 |
0 |
0 |
0 |
0.346 |
48 |
|
[ZN]F:769 |
1 |
1 |
98 |
cf |
F |
x,y,z |
1_555 |
8 |
5 |
8744 |
32.8 |
-22.7 |
0.000 |
0 |
0 |
0 |
0.346 |
49 |
|
[ZN]C:469 |
1 |
1 |
98 |
cf |
C |
x,y,z |
1_555 |
7 |
4 |
8737 |
32.2 |
-21.8 |
0.000 |
0 |
0 |
0 |
0.346 |
| Average: |
33.3 |
-22.7 |
0.000 |
0 |
0 |
0 |
0.346 |
| 25 |
50 |
|
[HAE]D:574 |
5 |
1 |
200 |
◊ |
F |
-y,x-y,z-2/3 |
2_554 |
2 |
1 |
8744 |
32.3 |
0.8 |
0.934 |
0 |
0 |
0 |
0.000 |
| 26 |
51 |
|
[HAE]A:874 |
3 |
1 |
202 |
f |
[ZN]A:869 |
x,y,z |
1_555 |
1 |
1 |
98 |
29.5 |
-11.9 |
0.000 |
0 |
0 |
0 |
0.095 |
52 |
|
[HAE]D:574 |
3 |
1 |
200 |
f |
[ZN]D:569 |
x,y,z |
1_555 |
1 |
1 |
98 |
29.3 |
-11.7 |
0.000 |
0 |
0 |
0 |
0.095 |
| Average: |
29.4 |
-11.8 |
0.000 |
0 |
0 |
0 |
0.095 |
| 27 |
53 |
|
[ACT]E:674 |
3 |
1 |
184 |
cf |
[ZN]E:669 |
x,y,z |
1_555 |
1 |
1 |
98 |
28.2 |
-11.3 |
0.000 |
0 |
0 |
0 |
0.054 |
| 28 |
54 |
|
[AZI]C:474 |
2 |
1 |
160 |
cf |
[ZN]C:469 |
x,y,z |
1_555 |
1 |
1 |
98 |
27.7 |
-11.2 |
0.000 |
0 |
0 |
0 |
0.089 |
55 |
|
[AZI]F:774 |
2 |
1 |
160 |
f |
[ZN]F:769 |
x,y,z |
1_555 |
1 |
1 |
98 |
26.6 |
-9.9 |
0.000 |
0 |
0 |
0 |
0.089 |
| Average: |
27.2 |
-10.6 |
0.000 |
0 |
0 |
0 |
0.089 |
| 29 |
56 |
|
[ACT]B:374 |
3 |
1 |
181 |
f |
[ZN]B:369 |
x,y,z |
1_555 |
1 |
1 |
98 |
26.9 |
-9.8 |
0.000 |
0 |
0 |
0 |
0.047 |
| 30 |
57 |
|
F |
5 |
1 |
8744 |
◊ |
D |
x,y,z |
1_555 |
3 |
2 |
8673 |
26.0 |
-0.1 |
0.418 |
0 |
0 |
0 |
0.000 |
58 |
|
C |
5 |
1 |
8737 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
8709 |
24.5 |
-0.1 |
0.366 |
0 |
0 |
0 |
0.000 |
| Average: |
25.3 |
-0.1 |
0.392 |
0 |
0 |
0 |
0.001 |
| 31 |
59 |
|
[ZN]F:769 |
1 |
1 |
98 |
◊ |
E |
x,y,z |
1_555 |
4 |
2 |
8592 |
17.6 |
-6.7 |
0.000 |
0 |
0 |
0 |
0.057 |
60 |
|
[ZN]C:469 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
3 |
2 |
8551 |
16.8 |
-6.2 |
0.000 |
0 |
0 |
0 |
0.057 |
61 |
|
[ZN]B:369 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
8709 |
15.1 |
-5.7 |
0.000 |
0 |
0 |
0 |
0.057 |
62 |
|
[ZN]E:669 |
1 |
1 |
98 |
◊ |
D |
x,y,z |
1_555 |
2 |
1 |
8673 |
14.2 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.057 |
| Average: |
15.9 |
-5.9 |
0.000 |
0 |
0 |
0 |
0.057 |
| 32 |
63 |
|
C |
3 |
1 |
8737 |
◊ |
[ZN]A:869 |
-y+1,x-y,z-2/3 |
2_654 |
1 |
1 |
98 |
15.6 |
-5.6 |
0.000 |
0 |
0 |
0 |
0.045 |
64 |
|
[ZN]D:569 |
1 |
1 |
98 |
◊ |
F |
-y,x-y,z-2/3 |
2_554 |
3 |
1 |
8744 |
14.5 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.045 |
| Average: |
15.1 |
-5.3 |
0.000 |
0 |
0 |
0 |
0.045 |
| 33 |
65 |
|
D |
3 |
1 |
8673 |
◊ |
[CA]F:773 |
-y,x-y,z+1/3 |
2_555 |
1 |
1 |
85 |
13.9 |
-1.9 |
0.000 |
0 |
0 |
0 |
0.000 |
66 |
|
[CA]C:473 |
1 |
1 |
85 |
◊ |
A |
-y+1,x-y,z+1/3 |
2_655 |
3 |
1 |
8709 |
12.8 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.000 |
| Average: |
13.4 |
-1.9 |
0.000 |
0 |
0 |
0 |
0.000 |
| 34 |
67 |
|
B |
1 |
1 |
8551 |
◊ |
F |
x,y,z-1 |
1_554 |
2 |
1 |
8744 |
1.2 |
0.0 |
0.650 |
0 |
0 |
0 |
0.000 |
| 35 |
68 |
|
[CA]F:771 |
1 |
1 |
85 |
f |
E |
x,y,z |
1_555 |
1 |
1 |
8592 |
0.9 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.000 |
|