| ## |
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 |
|
K |
52 |
5 |
1546 |
◊ |
D |
x,y,z |
1_555 |
61 |
19 |
7606 |
520.4 |
-6.7 |
0.430 |
10 |
0 |
0 |
1.000 |
2 |
|
G |
53 |
5 |
1549 |
◊ |
B |
x,y,z |
1_555 |
65 |
20 |
7716 |
504.4 |
-7.7 |
0.462 |
8 |
0 |
0 |
1.000 |
3 |
|
I |
50 |
5 |
1550 |
◊ |
C |
x,y,z |
1_555 |
63 |
20 |
7687 |
493.9 |
-8.1 |
0.389 |
13 |
0 |
0 |
1.000 |
4 |
|
E |
56 |
5 |
1556 |
◊ |
A |
x,y,z |
1_555 |
65 |
19 |
7872 |
488.8 |
-5.9 |
0.503 |
14 |
0 |
0 |
1.000 |
| Average: |
501.9 |
-7.1 |
0.446 |
11 |
0 |
0 |
1.000 |
| 2 |
5 |
|
J |
46 |
3 |
1996 |
◊ |
D |
-x+1,y,-z+1/2 |
3_655 |
52 |
15 |
7606 |
415.5 |
-4.5 |
0.331 |
6 |
0 |
0 |
0.153 |
6 |
|
H |
43 |
3 |
1991 |
◊ |
C |
x,y,z |
1_555 |
47 |
15 |
7687 |
415.5 |
-4.9 |
0.374 |
6 |
0 |
0 |
0.153 |
7 |
|
F |
43 |
3 |
1984 |
◊ |
B |
x,-y+1,-z+1 |
4_566 |
47 |
15 |
7716 |
412.9 |
-4.7 |
0.362 |
5 |
0 |
0 |
0.153 |
8 |
|
L |
41 |
3 |
1982 |
◊ |
A |
-x+1,-y+1,z-1/2 |
2_664 |
44 |
14 |
7872 |
401.1 |
-5.1 |
0.306 |
8 |
0 |
0 |
0.153 |
| Average: |
411.3 |
-4.8 |
0.343 |
6 |
0 |
0 |
0.153 |
| 3 |
9 |
|
A |
37 |
11 |
7872 |
◊ |
A |
-x+1,y,-z+3/2 |
3_656 |
37 |
11 |
7872 |
359.0 |
-1.9 |
0.364 |
0 |
0 |
0 |
0.002 |
10 |
|
C |
32 |
11 |
7687 |
◊ |
C |
-x+1,y,-z+1/2 |
3_655 |
32 |
11 |
7687 |
277.0 |
-1.4 |
0.413 |
0 |
2 |
0 |
0.002 |
11 |
|
D |
20 |
8 |
7606 |
◊ |
B |
x,y,z |
1_555 |
21 |
11 |
7716 |
172.4 |
2.0 |
0.607 |
1 |
2 |
0 |
0.002 |
| Average: |
269.5 |
-0.4 |
0.461 |
0 |
1 |
0 |
0.002 |
| 4 |
12 |
|
H |
31 |
7 |
1991 |
◊ |
G |
x,y,z |
1_555 |
31 |
6 |
1549 |
288.5 |
-3.6 |
0.576 |
14 |
0 |
0 |
0.655 |
13 |
|
F |
31 |
7 |
1984 |
◊ |
E |
x,y,z |
1_555 |
30 |
6 |
1556 |
288.4 |
-3.4 |
0.556 |
15 |
0 |
0 |
0.655 |
14 |
|
J |
31 |
7 |
1996 |
◊ |
I |
x,y,z |
1_555 |
31 |
6 |
1550 |
286.1 |
-4.0 |
0.546 |
14 |
0 |
0 |
0.655 |
15 |
|
L |
31 |
7 |
1982 |
◊ |
K |
x,y,z |
1_555 |
31 |
6 |
1546 |
281.3 |
-4.2 |
0.518 |
14 |
0 |
0 |
0.655 |
| Average: |
286.0 |
-3.8 |
0.549 |
14 |
0 |
0 |
0.655 |
| 5 |
16 |
|
H |
35 |
7 |
1991 |
◊ |
B |
x,y,z |
1_555 |
32 |
8 |
7716 |
287.5 |
-0.9 |
0.586 |
4 |
0 |
0 |
0.090 |
17 |
|
L |
34 |
7 |
1982 |
◊ |
D |
x,y,z |
1_555 |
31 |
8 |
7606 |
282.7 |
-0.3 |
0.564 |
5 |
0 |
0 |
0.090 |
18 |
|
J |
33 |
7 |
1996 |
◊ |
C |
x,y,z |
1_555 |
29 |
7 |
7687 |
269.1 |
-1.3 |
0.535 |
5 |
0 |
0 |
0.090 |
19 |
|
F |
30 |
7 |
1984 |
◊ |
A |
x,y,z |
1_555 |
29 |
7 |
7872 |
261.4 |
-0.6 |
0.553 |
6 |
0 |
0 |
0.090 |
| Average: |
275.2 |
-0.8 |
0.560 |
5 |
0 |
0 |
0.090 |
| 6 |
20 |
|
D |
23 |
7 |
7606 |
◊ |
C |
-x+3/2,-y+3/2,z-1/2 |
6_664 |
20 |
7 |
7687 |
204.9 |
-0.7 |
0.392 |
1 |
4 |
0 |
0.000 |
| 7 |
21 |
|
A |
24 |
7 |
7872 |
◊ |
B |
x-1/2,-y+3/2,-z+1 |
8_466 |
21 |
10 |
7716 |
184.2 |
-0.4 |
0.465 |
0 |
0 |
0 |
0.000 |
22 |
|
D |
19 |
8 |
7606 |
◊ |
C |
-x+3/2,y-1/2,-z+1/2 |
7_645 |
16 |
6 |
7687 |
133.4 |
-0.7 |
0.391 |
0 |
0 |
0 |
0.000 |
| Average: |
158.8 |
-0.5 |
0.428 |
0 |
0 |
0 |
0.000 |
| 8 |
23 |
|
F |
22 |
2 |
1984 |
◊ |
A |
-x+1,y,-z+3/2 |
3_656 |
23 |
6 |
7872 |
178.7 |
1.6 |
0.527 |
2 |
0 |
0 |
0.000 |
24 |
|
H |
24 |
2 |
1991 |
◊ |
D |
x,y,z |
1_555 |
23 |
6 |
7606 |
177.2 |
1.5 |
0.542 |
1 |
0 |
0 |
0.000 |
25 |
|
J |
22 |
2 |
1996 |
◊ |
C |
-x+1,y,-z+1/2 |
3_655 |
24 |
7 |
7687 |
173.6 |
1.2 |
0.559 |
2 |
0 |
0 |
0.000 |
26 |
|
L |
22 |
2 |
1982 |
◊ |
B |
x,y,z |
1_555 |
23 |
7 |
7716 |
171.5 |
2.7 |
0.691 |
1 |
0 |
0 |
0.000 |
| Average: |
175.3 |
1.8 |
0.580 |
2 |
0 |
0 |
0.000 |
| 9 |
27 |
|
D |
17 |
5 |
7606 |
◊ |
B |
-x+2,y,-z+1/2 |
3_755 |
19 |
5 |
7716 |
150.0 |
-0.4 |
0.487 |
1 |
3 |
0 |
0.000 |
| 10 |
28 |
|
C |
18 |
9 |
7687 |
◊ |
B |
x-1/2,-y+3/2,-z+1 |
8_466 |
16 |
6 |
7716 |
144.1 |
1.6 |
0.735 |
3 |
2 |
0 |
0.000 |
| 11 |
29 |
|
E |
21 |
2 |
1556 |
◊ |
B |
x,-y+1,-z+1 |
4_566 |
13 |
4 |
7716 |
132.9 |
0.3 |
0.363 |
0 |
0 |
0 |
0.000 |
30 |
|
I |
20 |
2 |
1550 |
◊ |
D |
-x+1,y,-z+1/2 |
3_655 |
13 |
5 |
7606 |
130.8 |
0.5 |
0.438 |
1 |
0 |
0 |
0.000 |
31 |
|
G |
19 |
2 |
1549 |
◊ |
C |
x,y,z |
1_555 |
12 |
4 |
7687 |
124.7 |
0.7 |
0.452 |
1 |
0 |
0 |
0.000 |
32 |
|
K |
20 |
2 |
1546 |
◊ |
A |
-x+1,-y+1,z-1/2 |
2_664 |
11 |
4 |
7872 |
117.8 |
0.8 |
0.545 |
2 |
0 |
0 |
0.000 |
| Average: |
126.5 |
0.5 |
0.450 |
1 |
0 |
0 |
0.001 |
| 12 |
33 |
|
C |
17 |
7 |
7687 |
◊ |
A |
x-1/2,-y+3/2,-z+1 |
8_466 |
19 |
7 |
7872 |
123.1 |
-0.5 |
0.472 |
0 |
0 |
0 |
0.000 |
| 13 |
34 |
|
D |
11 |
6 |
7606 |
◊ |
D |
x,-y+1,-z |
4_565 |
11 |
6 |
7606 |
117.1 |
0.9 |
0.671 |
2 |
0 |
0 |
0.000 |
| 14 |
35 |
|
C |
9 |
5 |
7687 |
◊ |
B |
x-1/2,y+1/2,z |
5_455 |
11 |
4 |
7716 |
104.0 |
0.5 |
0.575 |
1 |
1 |
0 |
0.000 |
36 |
|
D |
9 |
4 |
7606 |
◊ |
A |
-x+3/2,-y+3/2,z-1/2 |
6_664 |
11 |
6 |
7872 |
81.9 |
0.4 |
0.510 |
1 |
0 |
0 |
0.000 |
| Average: |
93.0 |
0.4 |
0.543 |
1 |
1 |
0 |
0.000 |
| 15 |
37 |
|
J |
12 |
4 |
1996 |
◊ |
H |
-x+1,y,-z+1/2 |
3_655 |
11 |
4 |
1991 |
89.3 |
-1.6 |
0.482 |
8 |
0 |
0 |
0.096 |
38 |
|
L |
11 |
4 |
1982 |
◊ |
F |
x,-y+1,-z+1 |
4_566 |
11 |
4 |
1984 |
85.1 |
-1.3 |
0.488 |
8 |
0 |
0 |
0.096 |
| Average: |
87.2 |
-1.5 |
0.485 |
8 |
0 |
0 |
0.096 |
| 16 |
39 |
|
C |
9 |
5 |
7687 |
◊ |
A |
x,y,z |
1_555 |
10 |
4 |
7872 |
87.6 |
0.0 |
0.562 |
0 |
0 |
0 |
0.000 |
| 17 |
40 |
|
B |
12 |
4 |
7716 |
◊ |
A |
-x+3/2,-y+3/2,z-1/2 |
6_664 |
9 |
4 |
7872 |
85.9 |
0.8 |
0.620 |
0 |
1 |
0 |
0.000 |
41 |
|
C |
5 |
3 |
7687 |
◊ |
D |
x-1/2,y+1/2,z |
5_455 |
5 |
2 |
7606 |
29.3 |
0.4 |
0.683 |
0 |
0 |
0 |
0.000 |
| Average: |
57.6 |
0.6 |
0.652 |
0 |
1 |
0 |
0.000 |
| 18 |
42 |
|
J |
7 |
2 |
1996 |
◊ |
G |
-x+1,y,-z+1/2 |
3_655 |
10 |
1 |
1549 |
71.0 |
-2.0 |
0.440 |
0 |
0 |
0 |
0.073 |
43 |
|
L |
8 |
2 |
1982 |
◊ |
E |
x,-y+1,-z+1 |
4_566 |
10 |
1 |
1556 |
70.6 |
-2.0 |
0.448 |
0 |
0 |
0 |
0.073 |
44 |
|
H |
7 |
2 |
1991 |
◊ |
I |
-x+1,y,-z+1/2 |
3_655 |
12 |
1 |
1550 |
69.5 |
-1.9 |
0.478 |
0 |
0 |
0 |
0.073 |
45 |
|
F |
6 |
2 |
1984 |
◊ |
K |
x,-y+1,-z+1 |
4_566 |
12 |
1 |
1546 |
67.9 |
-1.9 |
0.422 |
0 |
0 |
0 |
0.073 |
| Average: |
69.7 |
-1.9 |
0.447 |
0 |
0 |
0 |
0.073 |
| 19 |
46 |
|
B |
7 |
3 |
7716 |
◊ |
B |
x,-y+1,-z+1 |
4_566 |
7 |
3 |
7716 |
69.2 |
0.9 |
0.739 |
0 |
0 |
0 |
0.000 |
| 20 |
47 |
|
D |
7 |
3 |
7606 |
◊ |
A |
-x+1,y,-z+1/2 |
3_655 |
4 |
1 |
7872 |
60.9 |
2.2 |
0.865 |
0 |
0 |
0 |
0.000 |
| 21 |
48 |
|
E |
6 |
1 |
1556 |
◊ |
E |
-x+1,y,-z+3/2 |
3_656 |
6 |
1 |
1556 |
60.0 |
-1.7 |
0.413 |
0 |
0 |
0 |
0.013 |
49 |
|
I |
6 |
1 |
1550 |
◊ |
I |
-x+1,y,-z+1/2 |
3_655 |
6 |
1 |
1550 |
55.7 |
-1.6 |
0.446 |
0 |
0 |
0 |
0.013 |
50 |
|
K |
6 |
1 |
1546 |
◊ |
G |
x,y,z |
1_555 |
6 |
1 |
1549 |
54.9 |
-0.9 |
0.507 |
0 |
0 |
0 |
0.013 |
| Average: |
56.9 |
-1.4 |
0.456 |
0 |
0 |
0 |
0.013 |
| 22 |
51 |
|
I |
9 |
2 |
1550 |
◊ |
C |
-x+1,y,-z+1/2 |
3_655 |
6 |
2 |
7687 |
54.4 |
1.1 |
0.745 |
0 |
0 |
0 |
0.000 |
| 23 |
52 |
|
G |
8 |
1 |
1549 |
◊ |
D |
x,y,z |
1_555 |
5 |
2 |
7606 |
51.0 |
0.5 |
0.647 |
1 |
0 |
0 |
0.000 |
53 |
|
E |
6 |
1 |
1556 |
◊ |
A |
-x+1,y,-z+3/2 |
3_656 |
5 |
2 |
7872 |
46.8 |
0.4 |
0.622 |
1 |
0 |
0 |
0.000 |
54 |
|
K |
8 |
1 |
1546 |
◊ |
B |
x,y,z |
1_555 |
4 |
1 |
7716 |
38.3 |
0.8 |
0.714 |
0 |
0 |
0 |
0.000 |
| Average: |
45.4 |
0.6 |
0.661 |
1 |
0 |
0 |
0.000 |
| 24 |
55 |
|
C |
7 |
3 |
7687 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
7716 |
50.6 |
0.9 |
0.680 |
0 |
0 |
0 |
0.000 |
56 |
|
D |
7 |
3 |
7606 |
◊ |
C |
-x+1,y,-z+1/2 |
3_655 |
3 |
1 |
7687 |
43.7 |
0.7 |
0.539 |
0 |
0 |
0 |
0.000 |
57 |
|
D |
3 |
1 |
7606 |
◊ |
A |
-x+1,-y+1,z-1/2 |
2_664 |
8 |
3 |
7872 |
42.6 |
0.8 |
0.604 |
0 |
0 |
0 |
0.000 |
58 |
|
B |
6 |
2 |
7716 |
◊ |
A |
x,-y+1,-z+1 |
4_566 |
1 |
1 |
7872 |
23.6 |
0.3 |
0.631 |
0 |
0 |
0 |
0.000 |
| Average: |
40.1 |
0.7 |
0.613 |
0 |
0 |
0 |
0.000 |
| 25 |
59 |
|
[MG]A:1134 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
9 |
4 |
7872 |
43.5 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.211 |
60 |
|
[MG]C:1134 |
1 |
1 |
98 |
◊ |
C |
x,y,z |
1_555 |
9 |
5 |
7687 |
37.5 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.211 |
| Average: |
40.5 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.211 |
| 26 |
61 |
|
[MG]I:1009 |
1 |
1 |
98 |
f |
H |
-x+1,y,-z+1/2 |
3_655 |
6 |
2 |
1991 |
38.6 |
-5.8 |
0.000 |
0 |
0 |
0 |
0.371 |
62 |
|
[MG]E:1009 |
1 |
1 |
98 |
f |
L |
x,-y+1,-z+1 |
4_566 |
3 |
2 |
1982 |
35.3 |
-5.5 |
0.000 |
0 |
0 |
0 |
0.371 |
63 |
|
[MG]G:1009 |
1 |
1 |
98 |
f |
J |
-x+1,y,-z+1/2 |
3_655 |
3 |
2 |
1996 |
32.3 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.371 |
64 |
|
[MG]K:1009 |
1 |
1 |
98 |
f |
F |
x,-y+1,-z+1 |
4_566 |
5 |
2 |
1984 |
27.1 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.371 |
| Average: |
33.3 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.371 |
| 27 |
65 |
|
B |
7 |
4 |
7716 |
◊ |
A |
x,y,z |
1_555 |
6 |
4 |
7872 |
36.9 |
0.2 |
0.609 |
1 |
0 |
0 |
0.000 |
| 28 |
66 |
|
[MG]A:1134 |
1 |
1 |
98 |
f |
E |
x,y,z |
1_555 |
5 |
2 |
1556 |
36.3 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.265 |
67 |
|
[MG]C:1134 |
1 |
1 |
98 |
f |
I |
x,y,z |
1_555 |
7 |
2 |
1550 |
35.1 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.265 |
| Average: |
35.7 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.265 |
| 29 |
68 |
|
[MG]G:1009 |
1 |
1 |
98 |
◊ |
G |
x,y,z |
1_555 |
4 |
2 |
1549 |
36.0 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.164 |
69 |
|
[MG]I:1009 |
1 |
1 |
98 |
◊ |
I |
x,y,z |
1_555 |
5 |
2 |
1550 |
33.2 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.164 |
70 |
|
[MG]E:1009 |
1 |
1 |
98 |
◊ |
E |
x,y,z |
1_555 |
4 |
2 |
1556 |
33.2 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.164 |
71 |
|
[MG]K:1009 |
1 |
1 |
98 |
◊ |
K |
x,y,z |
1_555 |
4 |
2 |
1546 |
32.9 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.164 |
| Average: |
33.8 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.164 |
| 30 |
72 |
|
J |
1 |
1 |
1996 |
◊ |
I |
-x+1,y,-z+1/2 |
3_655 |
2 |
1 |
1550 |
25.7 |
0.5 |
0.621 |
1 |
0 |
0 |
0.000 |
73 |
|
F |
3 |
2 |
1984 |
◊ |
E |
-x+1,y,-z+3/2 |
3_656 |
4 |
1 |
1556 |
24.5 |
0.7 |
0.639 |
0 |
0 |
0 |
0.000 |
74 |
|
H |
2 |
2 |
1991 |
◊ |
K |
x,y,z |
1_555 |
3 |
1 |
1546 |
23.3 |
0.4 |
0.581 |
1 |
0 |
0 |
0.000 |
75 |
|
L |
1 |
1 |
1982 |
◊ |
G |
x,y,z |
1_555 |
3 |
1 |
1549 |
23.1 |
0.7 |
0.689 |
1 |
0 |
0 |
0.000 |
| Average: |
24.1 |
0.6 |
0.632 |
1 |
0 |
0 |
0.000 |
| 31 |
76 |
|
C |
2 |
1 |
7687 |
◊ |
B |
-x+1,y,-z+1/2 |
3_655 |
2 |
2 |
7716 |
10.3 |
0.3 |
0.762 |
0 |
0 |
0 |
0.000 |
| 32 |
77 |
|
F |
2 |
1 |
1984 |
◊ |
A |
x,-y+1,-z+1 |
4_566 |
1 |
1 |
7872 |
5.4 |
0.1 |
0.573 |
0 |
0 |
0 |
0.000 |
| 33 |
78 |
|
[MG]I:1009 |
1 |
1 |
98 |
◊ |
J |
x,y,z |
1_555 |
1 |
1 |
1996 |
2.2 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.007 |
79 |
|
[MG]G:1009 |
1 |
1 |
98 |
◊ |
H |
x,y,z |
1_555 |
2 |
2 |
1991 |
2.1 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.007 |
80 |
|
[MG]E:1009 |
1 |
1 |
98 |
◊ |
F |
x,y,z |
1_555 |
2 |
2 |
1984 |
1.9 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.007 |
| Average: |
2.1 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.007 |
|