| ## |
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 |
52 |
15 |
13543 |
◊ |
C |
-x+1,y-1/2,-z+1 |
2_646 |
53 |
12 |
13455 |
454.7 |
-1.6 |
0.481 |
1 |
2 |
0 |
0.000 |
| 2 |
2 |
|
B |
57 |
14 |
13543 |
◊ |
A |
x,y,z |
1_555 |
52 |
19 |
13630 |
436.4 |
-2.3 |
0.309 |
2 |
0 |
0 |
0.000 |
3 |
|
D |
52 |
13 |
13583 |
◊ |
C |
x,y,z |
1_555 |
52 |
18 |
13455 |
415.1 |
-1.9 |
0.349 |
3 |
0 |
0 |
0.000 |
4 |
|
F |
49 |
16 |
12736 |
◊ |
A |
x,y,z |
1_555 |
52 |
11 |
13630 |
404.3 |
-2.2 |
0.394 |
2 |
2 |
0 |
0.000 |
5 |
|
F |
49 |
13 |
12736 |
◊ |
B |
x,y,z |
1_555 |
54 |
17 |
13543 |
397.7 |
-3.6 |
0.237 |
3 |
0 |
0 |
0.000 |
6 |
|
E |
51 |
16 |
13295 |
◊ |
C |
x,y,z |
1_555 |
51 |
10 |
13455 |
394.3 |
-3.1 |
0.340 |
1 |
0 |
0 |
0.000 |
7 |
|
E |
51 |
13 |
13295 |
◊ |
D |
x,y,z |
1_555 |
52 |
20 |
13583 |
382.4 |
-4.3 |
0.181 |
1 |
0 |
0 |
0.000 |
| Average: |
405.0 |
-2.9 |
0.302 |
2 |
0 |
0 |
0.000 |
| 3 |
8 |
|
A |
56 |
15 |
13630 |
◊ |
E |
x,y-1,z |
1_545 |
48 |
13 |
13295 |
413.3 |
0.2 |
0.669 |
4 |
5 |
0 |
0.000 |
9 |
|
F |
44 |
11 |
12736 |
◊ |
C |
x,y-1,z |
1_545 |
50 |
15 |
13455 |
392.3 |
-0.7 |
0.606 |
3 |
4 |
0 |
0.000 |
| Average: |
402.8 |
-0.3 |
0.638 |
4 |
5 |
0 |
0.000 |
| 4 |
10 |
|
D |
45 |
11 |
13583 |
◊ |
B |
x-1,y,z |
1_455 |
42 |
13 |
13543 |
377.2 |
-3.5 |
0.208 |
3 |
0 |
0 |
0.000 |
| 5 |
11 |
|
D |
42 |
15 |
13583 |
◊ |
A |
x,y,z |
1_555 |
46 |
13 |
13630 |
372.7 |
1.4 |
0.764 |
4 |
4 |
0 |
0.000 |
| 6 |
12 |
|
A |
41 |
18 |
13630 |
◊ |
C |
-x+1,y-1/2,-z+2 |
2_647 |
46 |
16 |
13455 |
350.3 |
-0.5 |
0.556 |
4 |
3 |
0 |
0.000 |
| 7 |
13 |
|
C |
36 |
11 |
13455 |
◊ |
B |
x,y,z |
1_555 |
34 |
11 |
13543 |
279.4 |
-0.2 |
0.537 |
0 |
0 |
0 |
0.000 |
| 8 |
14 |
|
D |
33 |
9 |
13583 |
◊ |
B |
x,y,z |
1_555 |
32 |
9 |
13543 |
272.6 |
0.8 |
0.708 |
2 |
2 |
0 |
0.000 |
| 9 |
15 |
|
D |
30 |
12 |
13583 |
◊ |
C |
x-1,y,z |
1_455 |
25 |
12 |
13455 |
242.5 |
0.9 |
0.734 |
2 |
0 |
0 |
0.000 |
| 10 |
16 |
|
[BA]E:3016 |
1 |
1 |
216 |
f |
E |
x,y,z |
1_555 |
20 |
7 |
13295 |
125.2 |
-7.7 |
0.000 |
0 |
0 |
0 |
0.100 |
17 |
|
[BA]A:3003 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
23 |
7 |
13630 |
124.4 |
-8.0 |
0.000 |
0 |
0 |
0 |
0.100 |
18 |
|
[BA]F:3014 |
1 |
1 |
216 |
f |
F |
x,y,z |
1_555 |
21 |
8 |
12736 |
123.4 |
-8.9 |
0.000 |
0 |
0 |
0 |
0.100 |
19 |
|
[BA]B:3002 |
1 |
1 |
216 |
f |
B |
x,y,z |
1_555 |
22 |
7 |
13543 |
119.2 |
-7.8 |
0.000 |
0 |
0 |
0 |
0.100 |
20 |
|
[BA]D:3015 |
1 |
1 |
216 |
f |
D |
x,y,z |
1_555 |
19 |
7 |
13583 |
117.8 |
-8.0 |
0.000 |
0 |
0 |
0 |
0.100 |
21 |
|
[BA]C:3001 |
1 |
1 |
216 |
f |
C |
x,y,z |
1_555 |
21 |
7 |
13455 |
117.6 |
-7.7 |
0.000 |
0 |
0 |
0 |
0.100 |
| Average: |
121.3 |
-8.0 |
0.000 |
0 |
0 |
0 |
0.100 |
| 11 |
22 |
|
F |
17 |
5 |
12736 |
◊ |
C |
-x+1,y-1/2,-z+2 |
2_647 |
14 |
4 |
13455 |
113.7 |
-0.8 |
0.476 |
0 |
0 |
0 |
0.000 |
| 12 |
23 |
|
C |
12 |
4 |
13455 |
◊ |
E |
-x+1,y-1/2,-z+2 |
2_647 |
7 |
3 |
13295 |
97.2 |
-1.2 |
0.300 |
1 |
0 |
0 |
0.000 |
| 13 |
24 |
|
[BA]C:3005 |
1 |
1 |
216 |
f |
C |
x,y,z |
1_555 |
17 |
6 |
13455 |
93.2 |
-5.5 |
0.000 |
0 |
0 |
0 |
0.032 |
| 14 |
25 |
|
[BA]A:3018 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
10 |
3 |
13630 |
84.2 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.030 |
26 |
|
[BA]D:3017 |
1 |
1 |
216 |
f |
D |
x,y,z |
1_555 |
10 |
4 |
13583 |
75.5 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.030 |
27 |
|
[BA]F:3006 |
1 |
1 |
216 |
f |
C |
-x+1,y-1/2,-z+2 |
2_647 |
10 |
4 |
13455 |
70.0 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.030 |
| Average: |
76.6 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.030 |
| 15 |
28 |
|
[BA]C:3005 |
1 |
1 |
216 |
◊ |
B |
x,y,z |
1_555 |
11 |
5 |
13543 |
71.4 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.000 |
| 16 |
29 |
|
[BA]A:3020 |
1 |
1 |
216 |
◊ |
A |
x,y,z |
1_555 |
14 |
5 |
13630 |
69.1 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.000 |
30 |
|
[BA]C:3009 |
1 |
1 |
216 |
◊ |
C |
x,y,z |
1_555 |
15 |
6 |
13455 |
68.9 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.000 |
31 |
|
[BA]E:3010 |
1 |
1 |
216 |
◊ |
D |
x,y,z |
1_555 |
17 |
7 |
13583 |
66.7 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.000 |
32 |
|
[BA]F:3008 |
1 |
1 |
216 |
◊ |
F |
x,y,z |
1_555 |
13 |
5 |
12736 |
64.1 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.000 |
33 |
|
[BA]D:3012 |
1 |
1 |
216 |
◊ |
D |
x,y,z |
1_555 |
12 |
5 |
13583 |
59.4 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.000 |
34 |
|
[BA]B:3019 |
1 |
1 |
216 |
◊ |
B |
x,y,z |
1_555 |
10 |
4 |
13543 |
57.1 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.000 |
35 |
|
[BA]A:3007 |
1 |
1 |
216 |
◊ |
F |
x,y,z |
1_555 |
9 |
4 |
12736 |
48.9 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.000 |
36 |
|
[BA]E:3010 |
1 |
1 |
216 |
◊ |
E |
x,y,z |
1_555 |
10 |
3 |
13295 |
46.9 |
-1.9 |
0.000 |
0 |
0 |
0 |
0.000 |
37 |
|
[BA]C:3011 |
1 |
1 |
216 |
◊ |
E |
x,y,z |
1_555 |
10 |
4 |
13295 |
46.5 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.000 |
38 |
|
[BA]C:3011 |
1 |
1 |
216 |
◊ |
C |
x,y,z |
1_555 |
7 |
4 |
13455 |
41.6 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.000 |
39 |
|
[BA]C:3011 |
1 |
1 |
216 |
◊ |
D |
x,y,z |
1_555 |
7 |
4 |
13583 |
41.6 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.000 |
40 |
|
[BA]A:3007 |
1 |
1 |
216 |
◊ |
A |
x,y,z |
1_555 |
7 |
4 |
13630 |
40.5 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.000 |
41 |
|
[BA]C:3009 |
1 |
1 |
216 |
◊ |
D |
x,y,z |
1_555 |
5 |
2 |
13583 |
33.7 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.000 |
42 |
|
[BA]A:3007 |
1 |
1 |
216 |
◊ |
B |
x,y,z |
1_555 |
7 |
4 |
13543 |
33.3 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.000 |
43 |
|
[BA]F:3008 |
1 |
1 |
216 |
◊ |
A |
x,y,z |
1_555 |
5 |
2 |
13630 |
29.5 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.000 |
| Average: |
49.8 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.000 |
| 17 |
44 |
|
[BA]A:3004 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
8 |
4 |
13630 |
68.4 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.023 |
| 18 |
45 |
|
[BA]D:3013 |
1 |
1 |
216 |
f |
D |
x,y,z |
1_555 |
11 |
4 |
13583 |
66.0 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.022 |
| 19 |
46 |
|
A |
9 |
3 |
13630 |
◊ |
F |
x-1,y,z |
1_455 |
4 |
1 |
12736 |
59.6 |
0.7 |
0.738 |
1 |
0 |
0 |
0.000 |
| 20 |
47 |
|
A |
6 |
2 |
13630 |
◊ |
D |
-x,y-1/2,-z+1 |
2_546 |
9 |
2 |
13583 |
56.9 |
-0.2 |
0.493 |
0 |
1 |
0 |
0.000 |
| 21 |
48 |
|
[BA]A:3004 |
1 |
1 |
216 |
◊ |
D |
x,y,z |
1_555 |
10 |
4 |
13583 |
55.7 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.000 |
| 22 |
49 |
|
[BA]F:3006 |
1 |
1 |
216 |
◊ |
F |
x,y,z |
1_555 |
4 |
2 |
12736 |
51.9 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.000 |
| 23 |
50 |
|
F |
8 |
5 |
12736 |
◊ |
B |
-x+1,y-1/2,-z+1 |
2_646 |
8 |
4 |
13543 |
50.2 |
0.0 |
0.598 |
0 |
0 |
0 |
0.000 |
| 24 |
51 |
|
[BA]E:3010 |
1 |
1 |
216 |
f |
[BA]C:3011 |
x,y,z |
1_555 |
1 |
1 |
216 |
42.9 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.020 |
| 25 |
52 |
|
[BA]F:3008 |
1 |
1 |
216 |
f |
[BA]A:3007 |
x,y,z |
1_555 |
1 |
1 |
216 |
40.5 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.019 |
| 26 |
53 |
|
[BA]C:3011 |
1 |
1 |
216 |
f |
[BA]C:3009 |
x,y,z |
1_555 |
1 |
1 |
216 |
39.3 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.018 |
| 27 |
54 |
|
[BA]E:3010 |
1 |
1 |
216 |
f |
[BA]D:3012 |
x,y,z |
1_555 |
1 |
1 |
216 |
38.3 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.018 |
| 28 |
55 |
|
[BA]B:3019 |
1 |
1 |
216 |
f |
[BA]A:3020 |
x,y,z |
1_555 |
1 |
1 |
216 |
38.2 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.018 |
| 29 |
56 |
|
[BA]F:3008 |
1 |
1 |
216 |
f |
[BA]B:3019 |
x,y,z |
1_555 |
1 |
1 |
216 |
37.5 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.017 |
| 30 |
57 |
|
[BA]D:3012 |
1 |
1 |
216 |
f |
[BA]C:3009 |
x,y,z |
1_555 |
1 |
1 |
216 |
37.0 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.017 |
| 31 |
58 |
|
[BA]D:3013 |
1 |
1 |
216 |
◊ |
E |
x,y,z |
1_555 |
6 |
4 |
13295 |
35.7 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.000 |
| 32 |
59 |
|
[BA]F:3008 |
1 |
1 |
216 |
f |
[BA]A:3020 |
x,y,z |
1_555 |
1 |
1 |
216 |
34.9 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.016 |
| 33 |
60 |
|
[BA]B:3019 |
1 |
1 |
216 |
◊ |
F |
x,y,z |
1_555 |
6 |
2 |
12736 |
34.1 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.000 |
61 |
|
[BA]D:3012 |
1 |
1 |
216 |
◊ |
E |
x,y,z |
1_555 |
7 |
3 |
13295 |
34.0 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.000 |
62 |
|
[BA]A:3020 |
1 |
1 |
216 |
◊ |
B |
x,y,z |
1_555 |
4 |
2 |
13543 |
33.9 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.000 |
63 |
|
[BA]B:3019 |
1 |
1 |
216 |
◊ |
A |
x,y,z |
1_555 |
6 |
2 |
13630 |
27.6 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.000 |
64 |
|
[BA]D:3012 |
1 |
1 |
216 |
◊ |
C |
x,y,z |
1_555 |
6 |
2 |
13455 |
27.0 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.000 |
65 |
|
[BA]F:3008 |
1 |
1 |
216 |
◊ |
B |
x,y,z |
1_555 |
6 |
2 |
13543 |
25.8 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.000 |
66 |
|
[BA]C:3009 |
1 |
1 |
216 |
◊ |
E |
x,y,z |
1_555 |
4 |
2 |
13295 |
23.3 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.000 |
67 |
|
[BA]A:3020 |
1 |
1 |
216 |
◊ |
F |
x,y,z |
1_555 |
5 |
2 |
12736 |
21.9 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.000 |
68 |
|
[BA]E:3010 |
1 |
1 |
216 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
13455 |
9.5 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.000 |
| Average: |
26.3 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.000 |
| 34 |
69 |
|
[BA]B:3019 |
1 |
1 |
216 |
f |
[BA]A:3007 |
x,y,z |
1_555 |
1 |
1 |
216 |
33.9 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.016 |
| 35 |
70 |
|
E |
3 |
1 |
13295 |
◊ |
F |
x-1,y+1,z |
1_465 |
5 |
2 |
12736 |
32.9 |
-0.4 |
0.365 |
1 |
0 |
0 |
0.000 |
| 36 |
71 |
|
[BA]A:3020 |
1 |
1 |
216 |
f |
[BA]A:3007 |
x,y,z |
1_555 |
1 |
1 |
216 |
32.9 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.015 |
| 37 |
72 |
|
[BA]E:3010 |
1 |
1 |
216 |
f |
[BA]C:3009 |
x,y,z |
1_555 |
1 |
1 |
216 |
31.3 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.014 |
| 38 |
73 |
|
[BA]D:3012 |
1 |
1 |
216 |
f |
[BA]C:3011 |
x,y,z |
1_555 |
1 |
1 |
216 |
29.1 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.013 |
| 39 |
74 |
|
F |
6 |
2 |
12736 |
◊ |
E |
-x+1,y-1/2,-z+2 |
2_647 |
6 |
3 |
13295 |
24.2 |
0.1 |
0.617 |
0 |
0 |
0 |
0.000 |
| 40 |
75 |
|
B |
4 |
2 |
13543 |
◊ |
D |
-x,y-1/2,-z+1 |
2_546 |
4 |
2 |
13583 |
21.7 |
-0.1 |
0.530 |
0 |
0 |
0 |
0.000 |
| 41 |
76 |
|
F |
1 |
1 |
12736 |
◊ |
[BA]B:3002 |
-x+1,y-1/2,-z+1 |
2_646 |
1 |
1 |
216 |
15.4 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.000 |
| 42 |
77 |
|
E |
1 |
1 |
13295 |
◊ |
C |
x-1,y,z |
1_455 |
2 |
1 |
13455 |
11.8 |
0.0 |
0.503 |
0 |
0 |
0 |
0.000 |
| 43 |
78 |
|
F |
1 |
1 |
12736 |
◊ |
E |
x,y-1,z |
1_545 |
1 |
1 |
13295 |
10.7 |
-0.3 |
0.181 |
0 |
0 |
0 |
0.000 |
| 44 |
79 |
|
[BA]A:3018 |
1 |
1 |
216 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
13543 |
0.7 |
-0.0 |
0.000 |
0 |
0 |
0 |
0.000 |
| 45 |
80 |
|
A |
1 |
1 |
13630 |
◊ |
E |
-x,y-1/2,-z+2 |
2_547 |
1 |
1 |
13295 |
0.3 |
-0.0 |
0.611 |
0 |
0 |
0 |
0.000 |
|