| ## |
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 |
|
C |
76 |
18 |
6515 |
◊ |
B |
x,y,z |
1_555 |
74 |
18 |
6482 |
690.8 |
-4.3 |
0.694 |
6 |
4 |
0 |
0.036 |
2 |
|
D |
76 |
18 |
6604 |
◊ |
A |
x,y,z |
1_555 |
82 |
20 |
6518 |
669.4 |
-3.4 |
0.661 |
8 |
2 |
0 |
0.036 |
| Average: |
680.1 |
-3.9 |
0.677 |
7 |
3 |
0 |
0.036 |
| 2 |
3 |
|
B |
45 |
13 |
6482 |
◊ |
A |
x,y,z |
1_555 |
44 |
12 |
6518 |
401.5 |
-1.4 |
0.672 |
9 |
7 |
0 |
0.000 |
4 |
|
D |
41 |
12 |
6604 |
◊ |
C |
x,y,z |
1_555 |
47 |
11 |
6515 |
384.5 |
-2.6 |
0.625 |
4 |
7 |
0 |
0.000 |
| Average: |
393.0 |
-2.0 |
0.648 |
7 |
7 |
0 |
0.000 |
| 3 |
5 |
|
D |
54 |
14 |
6604 |
◊ |
A |
-x+3/2,y-1/2,-z+1 |
3_646 |
42 |
12 |
6518 |
384.8 |
-5.3 |
0.345 |
3 |
3 |
0 |
0.000 |
6 |
|
C |
40 |
12 |
6515 |
◊ |
B |
-x+3/2,y-1/2,-z+2 |
3_647 |
47 |
14 |
6482 |
356.1 |
-4.0 |
0.459 |
3 |
3 |
0 |
0.000 |
| Average: |
370.4 |
-4.6 |
0.402 |
3 |
3 |
0 |
0.000 |
| 4 |
7 |
|
D |
19 |
6 |
6604 |
◊ |
A |
-x+1,-y,z |
2_655 |
19 |
8 |
6518 |
170.0 |
0.2 |
0.724 |
3 |
2 |
0 |
0.000 |
| 5 |
8 |
|
D |
17 |
3 |
6604 |
◊ |
C |
-x+3/2,y-1/2,-z+2 |
3_647 |
17 |
4 |
6515 |
142.4 |
-1.7 |
0.494 |
1 |
2 |
0 |
0.000 |
9 |
|
A |
18 |
4 |
6518 |
◊ |
B |
-x+3/2,y-1/2,-z+1 |
3_646 |
17 |
3 |
6482 |
141.1 |
-1.8 |
0.481 |
1 |
2 |
0 |
0.000 |
| Average: |
141.8 |
-1.8 |
0.488 |
1 |
2 |
0 |
0.000 |
| 6 |
10 |
|
[EDO]B:2964 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
22 |
10 |
6482 |
122.8 |
3.0 |
0.469 |
1 |
0 |
0 |
0.000 |
| 7 |
11 |
|
D |
13 |
3 |
6604 |
◊ |
D |
-x+1,-y,z |
2_655 |
14 |
3 |
6604 |
118.2 |
-1.8 |
0.414 |
0 |
0 |
0 |
0.000 |
| 8 |
12 |
|
[EDO]A:2966 |
4 |
1 |
183 |
◊ |
A |
x,y,z |
1_555 |
21 |
7 |
6518 |
107.2 |
3.4 |
0.519 |
2 |
0 |
0 |
0.000 |
| 9 |
13 |
|
[EDO]D:2960 |
4 |
1 |
184 |
◊ |
D |
x,y,z |
1_555 |
16 |
5 |
6604 |
102.8 |
3.3 |
0.498 |
3 |
0 |
0 |
0.000 |
| 10 |
14 |
|
[EDO]B:2961 |
4 |
1 |
180 |
◊ |
B |
x,y,z |
1_555 |
16 |
5 |
6482 |
100.1 |
3.4 |
0.512 |
2 |
0 |
0 |
0.000 |
| 11 |
15 |
|
[7PE]C:5096 |
10 |
1 |
328 |
◊ |
C |
x,y,z |
1_555 |
13 |
3 |
6515 |
89.8 |
-0.8 |
0.621 |
1 |
0 |
0 |
0.000 |
| 12 |
16 |
|
[EDO]A:2962 |
4 |
1 |
184 |
◊ |
D |
x,y,z |
1_555 |
11 |
4 |
6604 |
86.9 |
2.3 |
0.271 |
1 |
0 |
0 |
0.000 |
| 13 |
17 |
|
[EDO]B:2963 |
4 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
18 |
5 |
6482 |
77.1 |
1.9 |
0.294 |
1 |
0 |
0 |
0.000 |
| 14 |
18 |
|
[EDO]B:2963 |
4 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
16 |
5 |
6515 |
74.5 |
1.8 |
0.285 |
1 |
0 |
0 |
0.000 |
| 15 |
19 |
|
[EDO]D:2965 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
19 |
5 |
6518 |
69.0 |
1.7 |
0.496 |
0 |
0 |
0 |
0.000 |
| 16 |
20 |
|
[EDO]D:2965 |
4 |
1 |
183 |
◊ |
D |
x,y,z |
1_555 |
19 |
5 |
6604 |
68.9 |
1.4 |
0.286 |
1 |
0 |
0 |
0.000 |
| 17 |
21 |
|
[EDO]D:2967 |
4 |
1 |
184 |
◊ |
D |
x,y,z |
1_555 |
16 |
3 |
6604 |
66.1 |
2.0 |
0.311 |
1 |
0 |
0 |
0.000 |
| 18 |
22 |
|
[EDO]D:2967 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
14 |
4 |
6518 |
64.3 |
1.5 |
0.443 |
1 |
0 |
0 |
0.000 |
| 19 |
23 |
|
[7PE]C:5096 |
7 |
1 |
328 |
f |
A |
x,y,z |
1_555 |
11 |
3 |
6518 |
61.4 |
0.6 |
0.712 |
0 |
0 |
0 |
0.000 |
| 20 |
24 |
|
D |
5 |
3 |
6604 |
◊ |
B |
x,y-1,z |
1_545 |
5 |
3 |
6482 |
58.9 |
1.6 |
0.908 |
0 |
0 |
0 |
0.000 |
| 21 |
25 |
|
[7PE]C:5096 |
5 |
1 |
328 |
◊ |
D |
x,y,z |
1_555 |
8 |
5 |
6604 |
58.3 |
-2.0 |
0.373 |
0 |
0 |
0 |
0.010 |
| 22 |
26 |
|
[NA]D:601 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
10 |
4 |
6518 |
55.0 |
-7.2 |
0.000 |
0 |
0 |
0 |
0.069 |
| 23 |
27 |
|
[EDO]A:2968 |
4 |
1 |
187 |
◊ |
D |
x,y,z |
1_555 |
10 |
6 |
6604 |
50.5 |
0.7 |
0.727 |
0 |
0 |
0 |
0.000 |
| 24 |
28 |
|
B |
8 |
3 |
6482 |
◊ |
B |
-x+1,-y+1,z |
2_665 |
8 |
3 |
6482 |
43.7 |
1.0 |
0.845 |
0 |
0 |
0 |
0.000 |
| 25 |
29 |
|
[EDO]A:2968 |
4 |
1 |
187 |
◊ |
C |
x,y,z |
1_555 |
11 |
4 |
6515 |
42.6 |
0.5 |
0.691 |
0 |
0 |
0 |
0.000 |
| 26 |
30 |
|
[7PE]C:5096 |
7 |
1 |
328 |
f |
[EDO]A:2968 |
x,y,z |
1_555 |
4 |
1 |
187 |
41.4 |
0.2 |
0.746 |
2 |
0 |
0 |
0.007 |
| 27 |
31 |
|
[NA]A:602 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
9 |
4 |
6518 |
39.8 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.046 |
| 28 |
32 |
|
[EDO]A:2962 |
3 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
5 |
2 |
6518 |
39.5 |
1.7 |
0.911 |
0 |
0 |
0 |
0.000 |
| 29 |
33 |
|
[7PE]C:5096 |
3 |
1 |
328 |
◊ |
B |
x,y,z |
1_555 |
6 |
5 |
6482 |
36.0 |
0.9 |
0.754 |
0 |
0 |
0 |
0.000 |
| 30 |
34 |
|
C |
6 |
1 |
6515 |
f |
[EDO]B:2961 |
-x+3/2,y-1/2,-z+2 |
3_647 |
2 |
1 |
180 |
34.3 |
0.3 |
0.671 |
0 |
0 |
0 |
0.000 |
| 31 |
35 |
|
[NA]A:602 |
1 |
1 |
125 |
◊ |
D |
x,y,z |
1_555 |
6 |
2 |
6604 |
34.1 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.017 |
| 32 |
36 |
|
[EDO]A:2968 |
4 |
1 |
187 |
f |
A |
x,y,z |
1_555 |
5 |
2 |
6518 |
33.8 |
0.9 |
0.881 |
0 |
0 |
0 |
0.000 |
| 33 |
37 |
|
D |
3 |
1 |
6604 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
6482 |
33.7 |
-1.1 |
0.212 |
0 |
0 |
0 |
0.000 |
| 34 |
38 |
|
[EDO]D:2960 |
2 |
1 |
184 |
f |
A |
-x+3/2,y-1/2,-z+1 |
3_646 |
5 |
1 |
6518 |
31.7 |
0.2 |
0.647 |
0 |
0 |
0 |
0.000 |
| 35 |
39 |
|
[7PE]C:5096 |
5 |
1 |
328 |
f |
[NA]A:602 |
x,y,z |
1_555 |
1 |
1 |
125 |
30.0 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.038 |
| 36 |
40 |
|
[NA]D:601 |
1 |
1 |
125 |
◊ |
D |
x,y,z |
1_555 |
4 |
2 |
6604 |
28.7 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.011 |
| 37 |
41 |
|
[EDO]D:2967 |
2 |
1 |
184 |
f |
[EDO]D:2965 |
x,y,z |
1_555 |
2 |
1 |
183 |
23.3 |
0.8 |
1.000 |
0 |
0 |
0 |
0.000 |
| 38 |
42 |
|
[EDO]A:2968 |
2 |
1 |
187 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
6482 |
23.2 |
-0.1 |
0.543 |
0 |
0 |
0 |
0.000 |
| 39 |
43 |
|
C |
2 |
1 |
6515 |
x |
C |
-x+3/2,y-1/2,-z+2 |
3_647 |
3 |
2 |
6515 |
19.1 |
-0.4 |
0.384 |
0 |
0 |
0 |
0.000 |
44 |
|
A |
4 |
2 |
6518 |
x |
A |
-x+3/2,y-1/2,-z+1 |
3_646 |
2 |
1 |
6518 |
17.0 |
-0.4 |
0.417 |
0 |
0 |
0 |
0.000 |
| Average: |
18.0 |
-0.4 |
0.400 |
0 |
0 |
0 |
0.000 |
| 40 |
45 |
|
[NA]D:601 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
6482 |
16.3 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.000 |
| 41 |
46 |
|
D |
1 |
1 |
6604 |
◊ |
C |
-x+1,-y,z |
2_655 |
2 |
1 |
6515 |
11.7 |
-0.3 |
0.357 |
0 |
0 |
0 |
0.000 |
| 42 |
47 |
|
[NA]A:602 |
1 |
1 |
125 |
◊ |
C |
x,y,z |
1_555 |
2 |
1 |
6515 |
9.1 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.000 |
| 43 |
48 |
|
[EDO]D:2967 |
2 |
1 |
184 |
f |
[NA]D:601 |
x,y,z |
1_555 |
1 |
1 |
125 |
6.6 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.006 |
| 44 |
49 |
|
C |
1 |
1 |
6515 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
6518 |
1.5 |
-0.0 |
0.481 |
0 |
0 |
0 |
0.000 |
| 45 |
50 |
|
[EDO]A:2966 |
1 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
1 |
1 |
6482 |
0.9 |
0.0 |
0.753 |
0 |
0 |
0 |
0.000 |
| 46 |
51 |
|
D |
1 |
1 |
6604 |
◊ |
B |
-x+1,-y,z |
2_655 |
1 |
1 |
6482 |
0.6 |
0.0 |
0.713 |
0 |
0 |
0 |
0.000 |
| 47 |
52 |
|
[EDO]A:2968 |
1 |
1 |
187 |
f |
[NA]A:602 |
x,y,z |
1_555 |
1 |
1 |
125 |
0.3 |
-0.0 |
0.000 |
0 |
0 |
0 |
0.000 |
|