| ## |
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 |
|
B |
204 |
51 |
14373 |
◊ |
A |
x,y,z |
1_555 |
222 |
59 |
14481 |
2013.6 |
-21.3 |
0.068 |
24 |
5 |
0 |
0.628 |
2 |
|
D |
180 |
49 |
15372 |
◊ |
C |
x,y,z |
1_555 |
207 |
57 |
13131 |
1835.7 |
-16.5 |
0.128 |
25 |
8 |
0 |
0.628 |
3 |
|
F |
115 |
31 |
13120 |
◊ |
E |
x,y,z |
1_555 |
125 |
35 |
13551 |
1167.5 |
-13.6 |
0.063 |
13 |
0 |
0 |
0.628 |
| Average: |
1672.3 |
-17.1 |
0.086 |
21 |
4 |
0 |
0.628 |
| 2 |
4 |
|
E |
81 |
25 |
13551 |
◊ |
C |
x,y,z |
1_555 |
81 |
22 |
13131 |
748.1 |
-1.3 |
0.507 |
8 |
3 |
0 |
0.000 |
| 3 |
5 |
|
D |
79 |
22 |
15372 |
◊ |
E |
x,y,z-1 |
1_554 |
75 |
25 |
13551 |
637.3 |
3.0 |
0.748 |
7 |
4 |
0 |
0.000 |
6 |
|
F |
65 |
20 |
13120 |
◊ |
A |
x,y-1,z+1 |
1_546 |
65 |
20 |
14481 |
526.9 |
3.1 |
0.771 |
7 |
5 |
0 |
0.000 |
| Average: |
582.1 |
3.1 |
0.760 |
7 |
5 |
0 |
0.000 |
| 4 |
7 |
|
C |
48 |
17 |
13131 |
◊ |
B |
x,y-1,z |
1_545 |
55 |
17 |
14373 |
518.1 |
-0.7 |
0.598 |
3 |
2 |
0 |
0.000 |
| 5 |
8 |
|
A |
51 |
17 |
14481 |
◊ |
D |
x-1,y,z+1 |
1_456 |
46 |
13 |
15372 |
483.7 |
-0.3 |
0.620 |
8 |
0 |
0 |
0.000 |
9 |
|
F |
48 |
13 |
13120 |
◊ |
C |
x,y-1,z+1 |
1_546 |
50 |
16 |
13131 |
466.3 |
-1.1 |
0.587 |
7 |
1 |
0 |
0.000 |
| Average: |
475.0 |
-0.7 |
0.604 |
8 |
1 |
0 |
0.000 |
| 6 |
10 |
|
[KAN]E:301 |
33 |
1 |
618 |
f |
E |
x,y,z |
1_555 |
68 |
24 |
13551 |
447.2 |
3.7 |
0.570 |
7 |
0 |
0 |
0.016 |
11 |
|
[KAN]A:301 |
31 |
1 |
620 |
f |
A |
x,y,z |
1_555 |
59 |
21 |
14481 |
435.3 |
4.3 |
0.643 |
8 |
0 |
0 |
0.016 |
12 |
|
[KAN]C:301 |
31 |
1 |
620 |
f |
C |
x,y,z |
1_555 |
63 |
23 |
13131 |
411.0 |
3.0 |
0.585 |
7 |
0 |
0 |
0.016 |
13 |
|
[KAN]B:301 |
31 |
1 |
621 |
f |
B |
x,y,z |
1_555 |
51 |
17 |
14373 |
371.8 |
2.2 |
0.451 |
6 |
0 |
0 |
0.016 |
14 |
|
[KAN]F:301 |
29 |
1 |
619 |
f |
F |
x,y,z |
1_555 |
55 |
19 |
13120 |
365.9 |
2.5 |
0.468 |
7 |
0 |
0 |
0.016 |
15 |
|
[KAN]D:301 |
29 |
1 |
621 |
f |
D |
x,y,z |
1_555 |
52 |
18 |
15372 |
355.9 |
2.3 |
0.450 |
7 |
0 |
0 |
0.016 |
| Average: |
397.8 |
3.0 |
0.528 |
7 |
0 |
0 |
0.016 |
| 7 |
16 |
|
D |
40 |
11 |
15372 |
◊ |
A |
x,y,z |
1_555 |
48 |
12 |
14481 |
416.2 |
-4.0 |
0.207 |
4 |
2 |
0 |
0.000 |
| 8 |
17 |
|
C |
44 |
14 |
13131 |
◊ |
A |
x,y,z |
1_555 |
43 |
13 |
14481 |
382.9 |
-0.5 |
0.526 |
4 |
1 |
0 |
0.000 |
| 9 |
18 |
|
[PP1]E:302 |
20 |
1 |
474 |
f |
E |
x,y,z |
1_555 |
49 |
22 |
13551 |
354.5 |
-1.4 |
0.355 |
1 |
0 |
0 |
0.058 |
19 |
|
[PP1]A:302 |
20 |
1 |
474 |
f |
A |
x,y,z |
1_555 |
41 |
19 |
14481 |
337.5 |
-1.1 |
0.413 |
1 |
0 |
0 |
0.058 |
20 |
|
[PP1]D:302 |
20 |
1 |
474 |
f |
D |
x,y,z |
1_555 |
44 |
18 |
15372 |
323.9 |
-0.6 |
0.441 |
1 |
0 |
0 |
0.058 |
21 |
|
[PP1]B:302 |
19 |
1 |
473 |
f |
B |
x,y,z |
1_555 |
38 |
18 |
14373 |
309.8 |
-0.8 |
0.397 |
1 |
0 |
0 |
0.058 |
22 |
|
[PP1]F:302 |
19 |
1 |
473 |
f |
F |
x,y,z |
1_555 |
41 |
19 |
13120 |
301.4 |
-0.6 |
0.404 |
1 |
0 |
0 |
0.058 |
| Average: |
325.4 |
-0.9 |
0.402 |
1 |
0 |
0 |
0.058 |
| 10 |
23 |
|
[PP1]C:302 |
20 |
1 |
473 |
f |
C |
x,y,z |
1_555 |
49 |
22 |
13131 |
337.1 |
-1.3 |
0.344 |
1 |
0 |
0 |
0.094 |
| 11 |
24 |
|
A |
29 |
13 |
14481 |
◊ |
E |
x-1,y,z |
1_455 |
31 |
11 |
13551 |
261.4 |
1.3 |
0.752 |
4 |
0 |
0 |
0.000 |
| 12 |
25 |
|
C |
25 |
7 |
13131 |
x |
C |
x-1,y,z |
1_455 |
30 |
9 |
13131 |
241.6 |
-2.1 |
0.347 |
2 |
0 |
0 |
0.000 |
26 |
|
E |
22 |
6 |
13551 |
x |
E |
x-1,y,z |
1_455 |
23 |
8 |
13551 |
180.9 |
-3.1 |
0.181 |
0 |
0 |
0 |
0.000 |
27 |
|
A |
17 |
5 |
14481 |
x |
A |
x-1,y,z |
1_455 |
21 |
8 |
14481 |
168.3 |
-2.7 |
0.214 |
0 |
0 |
0 |
0.000 |
| Average: |
196.9 |
-2.7 |
0.248 |
1 |
0 |
0 |
0.000 |
| 13 |
28 |
|
B |
23 |
8 |
14373 |
◊ |
E |
x-1,y,z |
1_455 |
23 |
7 |
13551 |
167.2 |
-0.1 |
0.611 |
1 |
0 |
0 |
0.000 |
| 14 |
29 |
|
A |
15 |
6 |
14481 |
◊ |
C |
x-1,y,z |
1_455 |
16 |
7 |
13131 |
140.3 |
0.7 |
0.715 |
0 |
0 |
0 |
0.000 |
30 |
|
E |
14 |
5 |
13551 |
◊ |
A |
x,y,z |
1_555 |
17 |
5 |
14481 |
136.6 |
1.7 |
0.812 |
0 |
1 |
0 |
0.000 |
| Average: |
138.4 |
1.2 |
0.763 |
0 |
1 |
0 |
0.000 |
| 15 |
31 |
|
[ACT]D:305 |
4 |
1 |
183 |
f |
D |
x,y,z |
1_555 |
22 |
7 |
15372 |
100.9 |
-0.6 |
0.633 |
0 |
0 |
0 |
0.011 |
| 16 |
32 |
|
B |
12 |
3 |
14373 |
◊ |
E |
x-1,y+1,z |
1_465 |
9 |
4 |
13551 |
94.6 |
0.9 |
0.705 |
1 |
0 |
0 |
0.000 |
| 17 |
33 |
|
A |
8 |
2 |
14481 |
◊ |
F |
x-1,y+1,z-1 |
1_464 |
10 |
3 |
13120 |
79.6 |
-0.2 |
0.555 |
0 |
0 |
0 |
0.000 |
34 |
|
E |
7 |
2 |
13551 |
◊ |
D |
x-1,y,z+1 |
1_456 |
8 |
2 |
15372 |
60.2 |
-0.1 |
0.570 |
1 |
0 |
0 |
0.000 |
| Average: |
69.9 |
-0.2 |
0.563 |
1 |
0 |
0 |
0.000 |
| 18 |
35 |
|
[KAN]D:301 |
8 |
1 |
621 |
◊ |
E |
x,y,z-1 |
1_554 |
10 |
5 |
13551 |
71.6 |
-0.6 |
0.305 |
2 |
0 |
0 |
0.000 |
36 |
|
[KAN]F:301 |
8 |
1 |
619 |
◊ |
A |
x,y-1,z+1 |
1_546 |
11 |
6 |
14481 |
71.0 |
-0.6 |
0.295 |
1 |
0 |
0 |
0.000 |
| Average: |
71.3 |
-0.6 |
0.300 |
2 |
0 |
0 |
0.000 |
| 19 |
37 |
|
[NA]D:303 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
14 |
9 |
15372 |
67.1 |
-8.5 |
0.000 |
0 |
0 |
0 |
0.161 |
38 |
|
[NA]F:303 |
1 |
1 |
125 |
f |
F |
x,y,z |
1_555 |
16 |
9 |
13120 |
65.6 |
-8.1 |
0.000 |
0 |
0 |
0 |
0.161 |
| Average: |
66.4 |
-8.3 |
0.000 |
0 |
0 |
0 |
0.161 |
| 20 |
39 |
|
[KAN]C:301 |
9 |
1 |
620 |
◊ |
D |
x,y,z |
1_555 |
6 |
2 |
15372 |
63.3 |
-1.4 |
0.139 |
0 |
0 |
0 |
0.026 |
| 21 |
40 |
|
[NA]D:304 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
8 |
4 |
15372 |
61.0 |
-9.1 |
0.000 |
0 |
0 |
0 |
0.362 |
41 |
|
[NA]E:303 |
1 |
1 |
125 |
f |
E |
x,y,z |
1_555 |
9 |
5 |
13551 |
60.9 |
-9.2 |
0.000 |
0 |
0 |
0 |
0.362 |
42 |
|
[NA]F:304 |
1 |
1 |
125 |
f |
F |
x,y,z |
1_555 |
8 |
4 |
13120 |
60.2 |
-9.0 |
0.000 |
0 |
0 |
0 |
0.362 |
43 |
|
[NA]A:303 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
7 |
4 |
14481 |
60.0 |
-8.9 |
0.000 |
0 |
0 |
0 |
0.362 |
44 |
|
[NA]B:303 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
10 |
6 |
14373 |
59.6 |
-8.5 |
0.000 |
0 |
0 |
0 |
0.362 |
| Average: |
60.3 |
-8.9 |
0.000 |
0 |
0 |
0 |
0.362 |
| 22 |
45 |
|
B |
4 |
1 |
14373 |
◊ |
A |
x-1,y,z |
1_455 |
12 |
5 |
14481 |
58.5 |
0.9 |
0.773 |
2 |
0 |
0 |
0.000 |
| 23 |
46 |
|
C |
9 |
3 |
13131 |
◊ |
E |
x-1,y,z |
1_455 |
5 |
2 |
13551 |
54.6 |
1.4 |
0.833 |
2 |
1 |
0 |
0.000 |
| 24 |
47 |
|
F |
8 |
2 |
13120 |
x |
F |
x-1,y,z |
1_455 |
5 |
2 |
13120 |
51.9 |
1.1 |
0.830 |
1 |
1 |
0 |
0.000 |
48 |
|
B |
2 |
1 |
14373 |
x |
B |
x-1,y,z |
1_455 |
3 |
1 |
14373 |
15.8 |
0.7 |
0.806 |
0 |
0 |
0 |
0.000 |
49 |
|
D |
4 |
1 |
15372 |
x |
D |
x-1,y,z |
1_455 |
3 |
1 |
15372 |
15.0 |
-0.1 |
0.536 |
0 |
0 |
0 |
0.000 |
| Average: |
27.6 |
0.6 |
0.724 |
0 |
0 |
0 |
0.000 |
| 25 |
50 |
|
[PP1]A:302 |
4 |
1 |
474 |
◊ |
B |
x,y,z |
1_555 |
5 |
1 |
14373 |
46.6 |
0.5 |
0.665 |
0 |
0 |
0 |
0.000 |
51 |
|
[PP1]B:302 |
1 |
1 |
473 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
14481 |
1.8 |
0.1 |
0.637 |
0 |
0 |
0 |
0.000 |
| Average: |
24.2 |
0.3 |
0.651 |
0 |
0 |
0 |
0.000 |
| 26 |
52 |
|
[PP1]C:302 |
3 |
1 |
473 |
◊ |
D |
x,y,z |
1_555 |
4 |
1 |
15372 |
35.2 |
-0.4 |
0.488 |
0 |
0 |
0 |
0.008 |
| 27 |
53 |
|
[KAN]C:301 |
3 |
1 |
620 |
◊ |
E |
x,y,z |
1_555 |
2 |
1 |
13551 |
33.5 |
0.6 |
0.561 |
0 |
0 |
0 |
0.000 |
| 28 |
54 |
|
A |
3 |
1 |
14481 |
◊ |
C |
x-1,y+1,z |
1_465 |
4 |
2 |
13131 |
30.9 |
0.5 |
0.726 |
1 |
0 |
0 |
0.000 |
| 29 |
55 |
|
A |
3 |
1 |
14481 |
◊ |
B |
x-1,y,z |
1_455 |
3 |
1 |
14373 |
29.7 |
-0.3 |
0.272 |
0 |
0 |
0 |
0.000 |
| 30 |
56 |
|
E |
2 |
1 |
13551 |
◊ |
B |
x,y-1,z |
1_545 |
4 |
2 |
14373 |
25.3 |
0.2 |
0.659 |
0 |
0 |
0 |
0.000 |
| 31 |
57 |
|
B |
3 |
2 |
14373 |
◊ |
C |
x-1,y,z |
1_455 |
6 |
3 |
13131 |
24.4 |
0.3 |
0.695 |
0 |
0 |
0 |
0.000 |
| 32 |
58 |
|
[NA]D:303 |
1 |
1 |
125 |
f |
[KAN]D:301 |
x,y,z |
1_555 |
3 |
1 |
621 |
19.6 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.037 |
59 |
|
[NA]F:303 |
1 |
1 |
125 |
f |
[KAN]F:301 |
x,y,z |
1_555 |
3 |
1 |
619 |
17.8 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.037 |
| Average: |
18.7 |
-1.9 |
0.000 |
0 |
0 |
0 |
0.037 |
| 33 |
60 |
|
[NA]F:303 |
1 |
1 |
125 |
◊ |
A |
x,y-1,z+1 |
1_546 |
3 |
1 |
14481 |
19.3 |
-1.5 |
0.000 |
0 |
0 |
0 |
0.000 |
61 |
|
[NA]D:303 |
1 |
1 |
125 |
◊ |
E |
x,y,z-1 |
1_554 |
2 |
1 |
13551 |
17.5 |
-1.4 |
0.000 |
0 |
0 |
0 |
0.000 |
| Average: |
18.4 |
-1.4 |
0.000 |
0 |
0 |
0 |
0.000 |
| 34 |
62 |
|
B |
3 |
1 |
14373 |
◊ |
D |
x-1,y,z+1 |
1_456 |
1 |
1 |
15372 |
16.3 |
0.1 |
0.674 |
0 |
0 |
0 |
0.000 |
| 35 |
63 |
|
[KAN]A:301 |
1 |
1 |
620 |
◊ |
D |
x,y,z |
1_555 |
3 |
1 |
15372 |
15.1 |
0.5 |
0.616 |
0 |
0 |
0 |
0.000 |
| 36 |
64 |
|
B |
3 |
1 |
14373 |
◊ |
F |
x-1,y+1,z |
1_465 |
1 |
1 |
13120 |
14.1 |
-0.4 |
0.237 |
0 |
0 |
0 |
0.000 |
| 37 |
65 |
|
C |
3 |
1 |
13131 |
◊ |
[KAN]B:301 |
x,y-1,z |
1_545 |
1 |
1 |
621 |
12.6 |
0.2 |
0.563 |
0 |
0 |
0 |
0.000 |
| 38 |
66 |
|
A |
1 |
1 |
14481 |
◊ |
E |
x-1,y+1,z |
1_465 |
2 |
1 |
13551 |
7.9 |
0.4 |
0.809 |
0 |
0 |
0 |
0.000 |
| 39 |
67 |
|
A |
2 |
1 |
14481 |
◊ |
[NA]F:303 |
x-1,y+1,z-1 |
1_464 |
1 |
1 |
125 |
7.2 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.000 |
| 40 |
68 |
|
D |
1 |
1 |
15372 |
◊ |
F |
x,y,z-1 |
1_554 |
1 |
1 |
13120 |
3.1 |
0.1 |
0.731 |
0 |
0 |
0 |
0.000 |
| 41 |
69 |
|
D |
1 |
1 |
15372 |
◊ |
B |
x,y-1,z |
1_545 |
1 |
1 |
14373 |
1.8 |
-0.1 |
0.472 |
0 |
0 |
0 |
0.000 |
| 42 |
70 |
|
F |
1 |
1 |
13120 |
◊ |
D |
x,y-1,z+1 |
1_546 |
1 |
1 |
15372 |
0.4 |
-0.0 |
0.614 |
0 |
0 |
0 |
0.000 |
|