| ## |
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 |
|
G |
92 |
11 |
2799 |
◊ |
F |
x,y,z |
1_555 |
100 |
32 |
17832 |
828.6 |
-18.9 |
0.335 |
18 |
0 |
0 |
0.529 |
2 |
|
B |
95 |
10 |
2829 |
◊ |
A |
x,y,z |
1_555 |
96 |
33 |
18074 |
818.9 |
-16.4 |
0.423 |
18 |
0 |
0 |
0.529 |
| Average: |
823.8 |
-17.7 |
0.379 |
18 |
0 |
0 |
0.529 |
| 2 |
3 |
|
F |
76 |
21 |
17832 |
◊ |
A |
x-1,y,z |
1_455 |
75 |
23 |
18074 |
717.3 |
-8.8 |
0.166 |
10 |
1 |
0 |
0.023 |
| 3 |
4 |
|
H |
65 |
8 |
2019 |
◊ |
F |
x,y,z |
1_555 |
72 |
25 |
17832 |
583.6 |
-13.0 |
0.329 |
13 |
0 |
0 |
0.431 |
5 |
|
C |
63 |
8 |
2016 |
◊ |
A |
x,y,z |
1_555 |
69 |
23 |
18074 |
557.3 |
-13.0 |
0.337 |
11 |
0 |
0 |
0.431 |
| Average: |
570.5 |
-13.0 |
0.333 |
12 |
0 |
0 |
0.431 |
| 4 |
6 |
|
A |
70 |
21 |
18074 |
◊ |
F |
-x+1,y-1/2,-z-1/2 |
3_644 |
59 |
17 |
17832 |
572.3 |
-2.5 |
0.483 |
6 |
2 |
0 |
0.000 |
| 5 |
7 |
|
F |
48 |
18 |
17832 |
◊ |
A |
x,y,z |
1_555 |
43 |
18 |
18074 |
425.9 |
1.9 |
0.827 |
8 |
4 |
0 |
0.000 |
| 6 |
8 |
|
B |
40 |
9 |
2829 |
◊ |
C |
x,y,z |
1_555 |
38 |
8 |
2016 |
379.4 |
-4.8 |
0.639 |
21 |
0 |
0 |
1.000 |
9 |
|
G |
39 |
9 |
2799 |
◊ |
H |
x,y,z |
1_555 |
37 |
8 |
2019 |
371.3 |
-5.4 |
0.603 |
22 |
0 |
0 |
1.000 |
| Average: |
375.4 |
-5.1 |
0.621 |
22 |
0 |
0 |
1.000 |
| 7 |
10 |
|
F |
39 |
11 |
17832 |
◊ |
A |
x-1/2,-y-1/2,-z |
4_445 |
42 |
11 |
18074 |
322.5 |
-3.8 |
0.336 |
0 |
0 |
0 |
0.000 |
| 8 |
11 |
|
[0KX]A:902 |
27 |
1 |
550 |
f |
A |
x,y,z |
1_555 |
38 |
14 |
18074 |
264.4 |
0.1 |
0.583 |
10 |
0 |
0 |
0.111 |
12 |
|
[0KX]F:401 |
27 |
1 |
544 |
f |
F |
x,y,z |
1_555 |
42 |
15 |
17832 |
263.7 |
0.0 |
0.587 |
11 |
0 |
0 |
0.111 |
| Average: |
264.0 |
0.0 |
0.585 |
11 |
0 |
0 |
0.111 |
| 9 |
13 |
|
A |
19 |
5 |
18074 |
◊ |
F |
x,y-1,z |
1_545 |
24 |
8 |
17832 |
192.6 |
-2.8 |
0.285 |
1 |
0 |
0 |
0.000 |
| 10 |
14 |
|
B |
24 |
3 |
2829 |
◊ |
F |
x,y,z |
1_555 |
23 |
8 |
17832 |
186.1 |
1.8 |
0.744 |
1 |
0 |
0 |
0.000 |
15 |
|
G |
21 |
3 |
2799 |
◊ |
A |
x,y,z |
1_555 |
19 |
6 |
18074 |
171.5 |
1.9 |
0.638 |
0 |
0 |
0 |
0.000 |
| Average: |
178.8 |
1.8 |
0.691 |
1 |
0 |
0 |
0.000 |
| 11 |
16 |
|
F |
12 |
5 |
17832 |
x |
F |
x-1,y,z |
1_455 |
14 |
5 |
17832 |
133.0 |
-1.8 |
0.324 |
0 |
0 |
0 |
0.000 |
17 |
|
A |
15 |
6 |
18074 |
x |
A |
x-1,y,z |
1_455 |
10 |
4 |
18074 |
122.2 |
-3.0 |
0.080 |
0 |
0 |
0 |
0.000 |
| Average: |
127.6 |
-2.4 |
0.202 |
0 |
0 |
0 |
0.000 |
| 12 |
18 |
|
[0KX]A:902 |
14 |
1 |
550 |
◊ |
C |
x,y,z |
1_555 |
14 |
1 |
2016 |
106.7 |
1.3 |
0.611 |
0 |
0 |
0 |
0.000 |
19 |
|
[0KX]F:401 |
14 |
1 |
544 |
◊ |
H |
x,y,z |
1_555 |
13 |
1 |
2019 |
104.5 |
1.5 |
0.624 |
0 |
0 |
0 |
0.000 |
| Average: |
105.6 |
1.4 |
0.618 |
0 |
0 |
0 |
0.000 |
| 13 |
20 |
|
[0KX]A:902 |
7 |
1 |
550 |
◊ |
B |
x,y,z |
1_555 |
7 |
2 |
2829 |
71.9 |
0.5 |
0.619 |
4 |
0 |
0 |
0.027 |
21 |
|
[0KX]F:401 |
6 |
1 |
544 |
◊ |
G |
x,y,z |
1_555 |
8 |
2 |
2799 |
68.5 |
0.3 |
0.617 |
3 |
0 |
0 |
0.027 |
| Average: |
70.2 |
0.4 |
0.618 |
4 |
0 |
0 |
0.027 |
| 14 |
22 |
|
A |
1 |
1 |
18074 |
x |
A |
x-1/2,-y-3/2,-z |
4_435 |
3 |
1 |
18074 |
36.0 |
1.3 |
0.866 |
1 |
1 |
0 |
0.000 |
| 15 |
23 |
|
[MG]F:403 |
1 |
1 |
98 |
f |
F |
x,y,z |
1_555 |
12 |
6 |
17832 |
30.7 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.108 |
24 |
|
[MG]A:901 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
10 |
6 |
18074 |
30.2 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.108 |
| Average: |
30.4 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.108 |
| 16 |
25 |
|
[MG]F:403 |
1 |
1 |
98 |
f |
[0KX]F:401 |
x,y,z |
1_555 |
5 |
1 |
544 |
30.4 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.101 |
26 |
|
[MG]A:901 |
1 |
1 |
98 |
f |
[0KX]A:902 |
x,y,z |
1_555 |
4 |
1 |
550 |
29.9 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.101 |
| Average: |
30.1 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.101 |
| 17 |
27 |
|
[MG]A:903 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
5 |
3 |
18074 |
28.7 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.105 |
28 |
|
[MG]F:402 |
1 |
1 |
98 |
f |
F |
x,y,z |
1_555 |
8 |
3 |
17832 |
28.3 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.105 |
| Average: |
28.5 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.105 |
| 18 |
29 |
|
[MG]F:402 |
1 |
1 |
98 |
◊ |
H |
x,y,z |
1_555 |
4 |
1 |
2019 |
27.1 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.066 |
30 |
|
[MG]A:903 |
1 |
1 |
98 |
◊ |
C |
x,y,z |
1_555 |
4 |
1 |
2016 |
27.0 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.066 |
| Average: |
27.0 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.066 |
| 19 |
31 |
|
[MG]F:402 |
1 |
1 |
98 |
f |
[0KX]F:401 |
x,y,z |
1_555 |
5 |
1 |
544 |
22.8 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.066 |
32 |
|
[MG]A:903 |
1 |
1 |
98 |
f |
[0KX]A:902 |
x,y,z |
1_555 |
5 |
1 |
550 |
22.6 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.066 |
| Average: |
22.7 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.066 |
| 20 |
33 |
|
A |
2 |
1 |
18074 |
◊ |
F |
x-1/2,-y-1/2,-z |
4_445 |
2 |
1 |
17832 |
21.3 |
1.1 |
0.912 |
1 |
1 |
0 |
0.000 |
| 21 |
34 |
|
F |
4 |
2 |
17832 |
x |
F |
-x,y-1/2,-z-1/2 |
3_544 |
4 |
3 |
17832 |
21.0 |
-0.1 |
0.591 |
0 |
0 |
0 |
0.000 |
| 22 |
35 |
|
[MG]F:403 |
1 |
1 |
98 |
f |
[MG]F:402 |
x,y,z |
1_555 |
1 |
1 |
98 |
10.5 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.048 |
| 23 |
36 |
|
[MG]A:903 |
1 |
1 |
98 |
f |
[MG]A:901 |
x,y,z |
1_555 |
1 |
1 |
98 |
10.0 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.047 |
| 24 |
37 |
|
[MG]F:403 |
1 |
1 |
98 |
◊ |
H |
x,y,z |
1_555 |
1 |
1 |
2019 |
5.7 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.014 |
38 |
|
[MG]A:901 |
1 |
1 |
98 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
2016 |
5.1 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.014 |
| Average: |
5.4 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.014 |
|