| ## |
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 |
|
F |
233 |
15 |
3930 |
◊ |
G |
x,y,z |
1_555 |
239 |
18 |
4181 |
1428.6 |
-14.4 |
0.871 |
7 |
0 |
0 |
0.000 |
2 |
|
H |
245 |
15 |
3908 |
◊ |
E |
x,y,z |
1_555 |
253 |
18 |
4180 |
1427.8 |
-11.5 |
0.901 |
8 |
0 |
0 |
0.000 |
| Average: |
1428.2 |
-13.0 |
0.886 |
8 |
0 |
0 |
0.000 |
| 2 |
3 |
|
B |
107 |
23 |
7070 |
◊ |
A |
x,y,z |
1_555 |
104 |
20 |
7312 |
1058.8 |
-16.5 |
0.109 |
10 |
0 |
0 |
0.000 |
| 3 |
4 |
|
G |
85 |
18 |
4181 |
◊ |
E |
x,y,z |
1_555 |
86 |
18 |
4180 |
641.9 |
-1.6 |
0.851 |
30 |
0 |
0 |
0.000 |
| 4 |
5 |
|
F |
78 |
15 |
3930 |
◊ |
E |
x,y,z |
1_555 |
82 |
18 |
4180 |
560.6 |
-5.2 |
0.707 |
31 |
0 |
0 |
0.000 |
6 |
|
H |
74 |
15 |
3908 |
◊ |
G |
x,y,z |
1_555 |
78 |
18 |
4181 |
549.3 |
-6.6 |
0.672 |
34 |
0 |
0 |
0.000 |
| Average: |
554.9 |
-5.9 |
0.690 |
33 |
0 |
0 |
0.000 |
| 5 |
7 |
|
H |
72 |
15 |
3908 |
◊ |
F |
x,y,z |
1_555 |
74 |
15 |
3930 |
468.4 |
-6.8 |
0.657 |
28 |
0 |
0 |
0.000 |
| 6 |
8 |
|
E |
50 |
9 |
4180 |
◊ |
A |
x,y,z |
1_555 |
43 |
15 |
7312 |
345.2 |
-2.7 |
0.589 |
7 |
0 |
0 |
0.000 |
9 |
|
G |
47 |
9 |
4181 |
◊ |
B |
x,y,z |
1_555 |
43 |
15 |
7070 |
335.2 |
-2.9 |
0.572 |
9 |
0 |
0 |
0.000 |
| Average: |
340.2 |
-2.8 |
0.580 |
8 |
0 |
0 |
0.000 |
| 7 |
10 |
|
H |
48 |
10 |
3908 |
◊ |
A |
x,y,z |
1_555 |
43 |
15 |
7312 |
337.1 |
-3.7 |
0.582 |
9 |
0 |
0 |
0.000 |
| 8 |
11 |
|
F |
47 |
10 |
3930 |
◊ |
B |
x,y,z |
1_555 |
45 |
15 |
7070 |
337.0 |
-3.3 |
0.569 |
8 |
0 |
0 |
0.000 |
| 9 |
12 |
|
G |
38 |
6 |
4181 |
◊ |
A |
x,y,z |
1_555 |
41 |
11 |
7312 |
261.7 |
-6.0 |
0.368 |
8 |
0 |
0 |
0.000 |
| 10 |
13 |
|
E |
38 |
7 |
4180 |
◊ |
B |
x,y,z |
1_555 |
34 |
9 |
7070 |
258.3 |
-5.3 |
0.381 |
7 |
0 |
0 |
0.000 |
| 11 |
14 |
|
A |
24 |
9 |
7312 |
◊ |
B |
x,y,z-1 |
1_554 |
22 |
8 |
7070 |
214.3 |
-0.3 |
0.677 |
2 |
4 |
0 |
0.000 |
| 12 |
15 |
|
H |
25 |
5 |
3908 |
◊ |
B |
x,y,z |
1_555 |
33 |
9 |
7070 |
197.7 |
-4.8 |
0.281 |
7 |
0 |
0 |
0.000 |
16 |
|
F |
25 |
5 |
3930 |
◊ |
A |
x,y,z |
1_555 |
32 |
9 |
7312 |
191.3 |
-4.6 |
0.336 |
7 |
0 |
0 |
0.000 |
| Average: |
194.5 |
-4.7 |
0.309 |
7 |
0 |
0 |
0.000 |
| 13 |
17 |
|
B |
24 |
8 |
7070 |
◊ |
B |
x-1,y,z |
1_455 |
24 |
5 |
7070 |
195.6 |
-0.6 |
0.623 |
4 |
1 |
0 |
0.000 |
| 14 |
18 |
|
[BRU]F:17 |
20 |
1 |
479 |
◊ |
G |
x,y,z |
1_555 |
30 |
3 |
4181 |
159.1 |
0.8 |
0.641 |
1 |
0 |
0 |
0.000 |
| 15 |
19 |
|
[BRU]H:3 |
20 |
1 |
470 |
◊ |
E |
x,y,z |
1_555 |
35 |
3 |
4180 |
154.7 |
-0.9 |
0.595 |
1 |
0 |
0 |
0.000 |
20 |
|
[BRU]F:3 |
20 |
1 |
461 |
◊ |
G |
x,y,z |
1_555 |
36 |
3 |
4181 |
153.1 |
-0.1 |
0.575 |
1 |
0 |
0 |
0.000 |
| Average: |
153.9 |
-0.5 |
0.585 |
1 |
0 |
0 |
0.000 |
| 16 |
21 |
|
[BRU]F:17 |
20 |
1 |
479 |
c |
F |
x,y,z |
1_555 |
31 |
2 |
3930 |
148.7 |
2.2 |
0.765 |
1 |
0 |
0 |
0.000 |
| 17 |
22 |
|
B |
18 |
5 |
7070 |
◊ |
A |
x-1,y,z |
1_455 |
12 |
4 |
7312 |
143.1 |
-0.6 |
0.593 |
3 |
0 |
0 |
0.000 |
| 18 |
23 |
|
[BRU]H:17 |
20 |
1 |
453 |
◊ |
E |
x,y,z |
1_555 |
23 |
3 |
4180 |
141.9 |
0.8 |
0.619 |
1 |
0 |
0 |
0.000 |
| 19 |
24 |
|
[BRU]H:17 |
20 |
1 |
453 |
c |
H |
x,y,z |
1_555 |
28 |
2 |
3908 |
138.9 |
2.3 |
0.757 |
0 |
0 |
0 |
0.000 |
| 20 |
25 |
|
[BRU]H:2 |
19 |
1 |
457 |
◊ |
E |
x,y,z |
1_555 |
18 |
3 |
4180 |
135.4 |
1.2 |
0.713 |
1 |
0 |
0 |
0.000 |
| 21 |
26 |
|
[BRU]F:2 |
20 |
1 |
475 |
◊ |
G |
x,y,z |
1_555 |
24 |
3 |
4181 |
131.8 |
0.8 |
0.725 |
1 |
0 |
0 |
0.000 |
| 22 |
27 |
|
A |
13 |
5 |
7312 |
◊ |
B |
x-1,y,z-1 |
1_454 |
9 |
4 |
7070 |
125.9 |
-1.6 |
0.285 |
1 |
0 |
0 |
0.000 |
| 23 |
28 |
|
A |
12 |
5 |
7312 |
◊ |
A |
x-1,y,z-1 |
1_454 |
10 |
4 |
7312 |
95.8 |
-1.2 |
0.444 |
1 |
0 |
0 |
0.000 |
| 24 |
29 |
|
G |
17 |
2 |
4181 |
◊ |
G |
-x,y-1/2,-z+2 |
2_547 |
19 |
2 |
4181 |
75.1 |
1.7 |
0.792 |
0 |
0 |
0 |
0.000 |
| 25 |
30 |
|
E |
20 |
2 |
4180 |
◊ |
H |
-x,y-1/2,-z+2 |
2_547 |
14 |
1 |
3908 |
75.0 |
1.0 |
0.723 |
0 |
0 |
0 |
0.000 |
| 26 |
31 |
|
F |
15 |
1 |
3930 |
◊ |
G |
-x,y-1/2,-z+2 |
2_547 |
19 |
2 |
4181 |
70.1 |
1.5 |
0.789 |
0 |
0 |
0 |
0.000 |
| 27 |
32 |
|
[BRU]F:3 |
15 |
1 |
461 |
◊ |
A |
x,y,z |
1_555 |
12 |
4 |
7312 |
70.0 |
0.1 |
0.539 |
0 |
0 |
0 |
0.000 |
| 28 |
33 |
|
[BRU]H:3 |
15 |
1 |
470 |
c |
[BRU]H:2 |
x,y,z |
1_555 |
12 |
1 |
457 |
68.3 |
1.0 |
0.603 |
0 |
0 |
0 |
0.000 |
34 |
|
[BRU]F:3 |
13 |
1 |
461 |
c |
[BRU]F:2 |
x,y,z |
1_555 |
12 |
1 |
475 |
65.9 |
1.2 |
0.652 |
0 |
0 |
0 |
0.000 |
| Average: |
67.1 |
1.1 |
0.628 |
0 |
0 |
0 |
0.000 |
| 29 |
35 |
|
A |
8 |
3 |
7312 |
◊ |
A |
x,y,z-1 |
1_554 |
7 |
2 |
7312 |
67.6 |
0.1 |
0.566 |
1 |
0 |
0 |
0.000 |
| 30 |
36 |
|
E |
16 |
2 |
4180 |
◊ |
E |
-x,y-1/2,-z+2 |
2_547 |
17 |
2 |
4180 |
67.1 |
2.0 |
0.850 |
0 |
0 |
0 |
0.000 |
| 31 |
37 |
|
[BRU]H:3 |
12 |
1 |
470 |
◊ |
B |
x,y,z |
1_555 |
11 |
4 |
7070 |
66.7 |
-0.3 |
0.497 |
0 |
0 |
0 |
0.000 |
| 32 |
38 |
|
[BRU]F:2 |
15 |
1 |
475 |
c |
F |
x,y,z |
1_555 |
12 |
1 |
3930 |
64.1 |
0.5 |
0.659 |
0 |
0 |
0 |
0.000 |
| 33 |
39 |
|
[BRU]H:2 |
12 |
1 |
457 |
c |
H |
x,y,z |
1_555 |
14 |
1 |
3908 |
63.1 |
0.6 |
0.618 |
0 |
0 |
0 |
0.000 |
| 34 |
40 |
|
H |
14 |
1 |
3908 |
◊ |
H |
-x,y-1/2,-z+2 |
2_547 |
13 |
1 |
3908 |
62.3 |
-0.0 |
0.643 |
0 |
0 |
0 |
0.000 |
| 35 |
41 |
|
[BRU]F:3 |
14 |
1 |
461 |
c |
F |
x,y,z |
1_555 |
12 |
1 |
3930 |
62.1 |
1.0 |
0.676 |
0 |
0 |
0 |
0.000 |
42 |
|
[BRU]H:3 |
14 |
1 |
470 |
c |
H |
x,y,z |
1_555 |
16 |
2 |
3908 |
61.0 |
1.0 |
0.704 |
0 |
0 |
0 |
0.000 |
| Average: |
61.5 |
1.0 |
0.690 |
0 |
0 |
0 |
0.000 |
| 36 |
43 |
|
G |
17 |
2 |
4181 |
◊ |
F |
-x,y-1/2,-z+2 |
2_547 |
14 |
1 |
3930 |
60.2 |
-0.3 |
0.623 |
0 |
0 |
0 |
0.000 |
| 37 |
44 |
|
F |
13 |
1 |
3930 |
◊ |
F |
-x,y-1/2,-z+2 |
2_547 |
14 |
1 |
3930 |
60.2 |
-0.1 |
0.641 |
0 |
0 |
0 |
0.000 |
| 38 |
45 |
|
H |
14 |
1 |
3908 |
◊ |
E |
-x,y-1/2,-z+2 |
2_547 |
15 |
2 |
4180 |
56.5 |
0.3 |
0.685 |
0 |
0 |
0 |
0.000 |
| 39 |
46 |
|
[BRU]F:2 |
9 |
1 |
475 |
◊ |
E |
x,y,z |
1_555 |
10 |
3 |
4180 |
54.2 |
1.3 |
0.712 |
2 |
0 |
0 |
0.000 |
| 40 |
47 |
|
[BRU]H:2 |
8 |
1 |
457 |
◊ |
G |
x,y,z |
1_555 |
9 |
3 |
4181 |
50.8 |
1.1 |
0.647 |
2 |
0 |
0 |
0.000 |
| 41 |
48 |
|
[BRU]F:17 |
6 |
1 |
479 |
◊ |
E |
x,y,z |
1_555 |
9 |
4 |
4180 |
49.4 |
0.3 |
0.596 |
2 |
0 |
0 |
0.000 |
| 42 |
49 |
|
[BRU]F:3 |
6 |
1 |
461 |
◊ |
E |
x,y,z |
1_555 |
10 |
4 |
4180 |
49.4 |
1.2 |
0.653 |
1 |
0 |
0 |
0.000 |
50 |
|
[BRU]H:3 |
6 |
1 |
470 |
◊ |
G |
x,y,z |
1_555 |
9 |
3 |
4181 |
47.7 |
1.2 |
0.666 |
1 |
0 |
0 |
0.000 |
| Average: |
48.6 |
1.2 |
0.660 |
1 |
0 |
0 |
0.000 |
| 43 |
51 |
|
G |
4 |
1 |
4181 |
◊ |
B |
x-1,y,z-1 |
1_454 |
8 |
2 |
7070 |
44.3 |
-2.0 |
0.245 |
0 |
0 |
0 |
0.000 |
| 44 |
52 |
|
[BRU]H:17 |
5 |
1 |
453 |
◊ |
G |
x,y,z |
1_555 |
7 |
3 |
4181 |
42.6 |
0.3 |
0.575 |
2 |
0 |
0 |
0.000 |
| 45 |
53 |
|
G |
10 |
1 |
4181 |
◊ |
E |
-x,y-1/2,-z+2 |
2_547 |
10 |
1 |
4180 |
40.2 |
0.7 |
0.724 |
0 |
0 |
0 |
0.000 |
| 46 |
54 |
|
F |
6 |
2 |
3930 |
◊ |
B |
x-1,y,z-1 |
1_454 |
3 |
2 |
7070 |
34.1 |
-1.9 |
0.234 |
0 |
0 |
0 |
0.000 |
| 47 |
55 |
|
[BRU]H:3 |
5 |
1 |
470 |
◊ |
F |
x,y,z |
1_555 |
4 |
2 |
3930 |
33.9 |
0.6 |
0.608 |
1 |
0 |
0 |
0.000 |
56 |
|
[BRU]F:3 |
5 |
1 |
461 |
◊ |
H |
x,y,z |
1_555 |
5 |
3 |
3908 |
31.3 |
0.6 |
0.583 |
1 |
0 |
0 |
0.000 |
| Average: |
32.6 |
0.6 |
0.596 |
1 |
0 |
0 |
0.000 |
| 48 |
57 |
|
[BRU]F:2 |
5 |
1 |
475 |
◊ |
H |
x,y,z |
1_555 |
9 |
2 |
3908 |
31.4 |
0.2 |
0.588 |
1 |
0 |
0 |
0.000 |
| 49 |
58 |
|
[BRU]H:2 |
6 |
1 |
457 |
◊ |
F |
x,y,z |
1_555 |
9 |
2 |
3930 |
30.4 |
0.0 |
0.527 |
1 |
0 |
0 |
0.000 |
| 50 |
59 |
|
E |
3 |
1 |
4180 |
◊ |
A |
x-1,y,z-1 |
1_454 |
4 |
1 |
7312 |
30.1 |
-1.5 |
0.306 |
0 |
0 |
0 |
0.000 |
| 51 |
60 |
|
H |
5 |
3 |
3908 |
◊ |
A |
x-1,y,z-1 |
1_454 |
5 |
2 |
7312 |
28.5 |
-1.4 |
0.367 |
0 |
0 |
0 |
0.000 |
| 52 |
61 |
|
G |
8 |
1 |
4181 |
◊ |
[BRU]F:2 |
-x,y-1/2,-z+2 |
2_547 |
6 |
1 |
475 |
28.0 |
-0.3 |
0.502 |
0 |
0 |
0 |
0.000 |
62 |
|
[BRU]H:2 |
3 |
1 |
457 |
◊ |
E |
-x,y-1/2,-z+2 |
2_547 |
2 |
1 |
4180 |
9.2 |
0.5 |
0.617 |
0 |
0 |
0 |
0.000 |
| Average: |
18.6 |
0.1 |
0.559 |
0 |
0 |
0 |
0.000 |
| 53 |
63 |
|
F |
5 |
1 |
3930 |
◊ |
[BRU]F:2 |
-x,y-1/2,-z+2 |
2_547 |
7 |
1 |
475 |
25.6 |
-0.0 |
0.550 |
0 |
0 |
0 |
0.000 |
64 |
|
[BRU]H:2 |
4 |
1 |
457 |
◊ |
H |
-x,y-1/2,-z+2 |
2_547 |
3 |
1 |
3908 |
16.7 |
0.6 |
0.618 |
0 |
0 |
0 |
0.000 |
| Average: |
21.1 |
0.3 |
0.584 |
0 |
0 |
0 |
0.000 |
| 54 |
65 |
|
F |
8 |
1 |
3930 |
◊ |
E |
-x,y-1/2,-z+2 |
2_547 |
5 |
1 |
4180 |
25.3 |
0.0 |
0.583 |
0 |
0 |
0 |
0.000 |
| 55 |
66 |
|
G |
6 |
1 |
4181 |
◊ |
H |
-x,y-1/2,-z+2 |
2_547 |
8 |
1 |
3908 |
24.6 |
0.0 |
0.592 |
0 |
0 |
0 |
0.000 |
| 56 |
67 |
|
[BRU]H:2 |
4 |
1 |
457 |
◊ |
[BRU]F:17 |
x,y,z |
1_555 |
4 |
1 |
479 |
21.5 |
-0.0 |
0.458 |
0 |
0 |
0 |
0.000 |
68 |
|
[BRU]H:17 |
3 |
1 |
453 |
◊ |
[BRU]F:2 |
x,y,z |
1_555 |
3 |
1 |
475 |
18.1 |
0.0 |
0.451 |
0 |
0 |
0 |
0.000 |
| Average: |
19.8 |
0.0 |
0.455 |
0 |
0 |
0 |
0.000 |
| 57 |
69 |
|
[BRU]H:3 |
5 |
1 |
470 |
◊ |
[BRU]F:17 |
x,y,z |
1_555 |
6 |
1 |
479 |
21.2 |
0.5 |
0.568 |
0 |
0 |
0 |
0.000 |
| 58 |
70 |
|
E |
4 |
1 |
4180 |
◊ |
G |
-x,y-1/2,-z+2 |
2_547 |
4 |
1 |
4181 |
17.2 |
0.6 |
0.721 |
0 |
0 |
0 |
0.000 |
| 59 |
71 |
|
F |
4 |
2 |
3930 |
◊ |
A |
x-1,y,z |
1_455 |
3 |
1 |
7312 |
16.5 |
0.1 |
0.619 |
0 |
0 |
0 |
0.000 |
| 60 |
72 |
|
[BRU]H:17 |
4 |
1 |
453 |
◊ |
[BRU]F:3 |
x,y,z |
1_555 |
3 |
1 |
461 |
16.4 |
0.4 |
0.525 |
0 |
0 |
0 |
0.000 |
| 61 |
73 |
|
G |
3 |
2 |
4181 |
◊ |
A |
x-1,y,z |
1_455 |
3 |
1 |
7312 |
15.8 |
-0.1 |
0.542 |
0 |
0 |
0 |
0.000 |
| 62 |
74 |
|
H |
4 |
1 |
3908 |
◊ |
[BRU]H:17 |
-x,y-1/2,-z+2 |
2_547 |
3 |
1 |
453 |
15.2 |
0.6 |
0.626 |
0 |
0 |
0 |
0.000 |
| 63 |
75 |
|
E |
3 |
1 |
4180 |
◊ |
[BRU]H:17 |
-x,y-1/2,-z+2 |
2_547 |
3 |
1 |
453 |
14.9 |
0.8 |
0.691 |
0 |
0 |
0 |
0.000 |
| 64 |
76 |
|
H |
5 |
1 |
3908 |
◊ |
G |
-x,y-1/2,-z+2 |
2_547 |
4 |
1 |
4181 |
10.5 |
0.2 |
0.577 |
0 |
0 |
0 |
0.000 |
| 65 |
77 |
|
[BRU]F:17 |
3 |
1 |
479 |
◊ |
H |
x,y,z |
1_555 |
3 |
1 |
3908 |
9.9 |
-0.1 |
0.455 |
0 |
0 |
0 |
0.000 |
| 66 |
78 |
|
[BRU]H:17 |
5 |
1 |
453 |
◊ |
F |
x,y,z |
1_555 |
5 |
2 |
3930 |
9.7 |
-0.0 |
0.497 |
0 |
0 |
0 |
0.000 |
| 67 |
79 |
|
E |
3 |
1 |
4180 |
◊ |
F |
-x,y-1/2,-z+2 |
2_547 |
5 |
1 |
3930 |
9.1 |
0.2 |
0.585 |
0 |
0 |
0 |
0.000 |
| 68 |
80 |
|
[BRU]F:17 |
3 |
1 |
479 |
◊ |
F |
-x,y-1/2,-z+2 |
2_547 |
3 |
1 |
3930 |
8.2 |
0.1 |
0.484 |
0 |
0 |
0 |
0.000 |
| 69 |
81 |
|
F |
5 |
1 |
3930 |
◊ |
H |
-x,y-1/2,-z+2 |
2_547 |
5 |
1 |
3908 |
7.8 |
-0.3 |
0.508 |
0 |
0 |
0 |
0.000 |
| 70 |
82 |
|
[BRU]F:17 |
3 |
1 |
479 |
◊ |
G |
-x,y-1/2,-z+2 |
2_547 |
3 |
1 |
4181 |
7.0 |
0.3 |
0.524 |
0 |
0 |
0 |
0.000 |
| 71 |
83 |
|
H |
3 |
1 |
3908 |
◊ |
F |
-x,y-1/2,-z+2 |
2_547 |
1 |
1 |
3930 |
4.5 |
0.2 |
0.571 |
0 |
0 |
0 |
0.000 |
| 72 |
84 |
|
E |
1 |
1 |
4180 |
◊ |
B |
x-1,y,z-1 |
1_454 |
2 |
1 |
7070 |
1.9 |
-0.1 |
0.356 |
0 |
0 |
0 |
0.000 |
| 73 |
85 |
|
[BRU]H:2 |
1 |
1 |
457 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
7070 |
0.5 |
-0.0 |
0.425 |
0 |
0 |
0 |
0.000 |
|