| ## |
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 |
|
I |
74 |
20 |
12558 |
◊ |
C |
-x+1,y-1/2,-z |
2_645 |
82 |
21 |
12308 |
726.4 |
5.9 |
0.905 |
19 |
16 |
0 |
0.000 |
2 |
|
A |
72 |
21 |
12153 |
◊ |
E |
-x+1,y-1/2,-z+1 |
2_646 |
69 |
19 |
12243 |
658.3 |
3.5 |
0.824 |
14 |
14 |
0 |
0.000 |
| Average: |
692.3 |
4.7 |
0.864 |
17 |
15 |
0 |
0.000 |
| 2 |
3 |
|
A |
50 |
18 |
12153 |
◊ |
E |
-x,y-1/2,-z+1 |
2_546 |
50 |
17 |
12243 |
495.4 |
-1.4 |
0.453 |
4 |
2 |
0 |
0.000 |
4 |
|
I |
48 |
17 |
12558 |
◊ |
C |
-x,y-1/2,-z |
2_545 |
46 |
15 |
12308 |
461.9 |
-1.8 |
0.466 |
3 |
2 |
0 |
0.000 |
| Average: |
478.6 |
-1.6 |
0.459 |
4 |
2 |
0 |
0.000 |
| 3 |
5 |
|
[INN]I:2 |
26 |
1 |
672 |
f |
I |
x,y,z |
1_555 |
53 |
19 |
12558 |
379.4 |
3.3 |
0.385 |
8 |
0 |
0 |
0.000 |
6 |
|
[INN]A:2 |
28 |
1 |
679 |
f |
A |
x,y,z |
1_555 |
52 |
21 |
12153 |
378.8 |
3.5 |
0.372 |
7 |
0 |
0 |
0.000 |
7 |
|
[INN]E:2 |
27 |
1 |
669 |
f |
E |
x,y,z |
1_555 |
50 |
20 |
12243 |
365.0 |
3.2 |
0.363 |
7 |
0 |
0 |
0.000 |
| Average: |
374.4 |
3.3 |
0.373 |
7 |
0 |
0 |
0.001 |
| 4 |
8 |
|
[INN]C:2 |
27 |
1 |
675 |
f |
C |
x,y,z |
1_555 |
50 |
20 |
12308 |
377.3 |
2.8 |
0.384 |
6 |
0 |
0 |
0.000 |
| 5 |
9 |
|
C |
36 |
11 |
12308 |
◊ |
A |
x,y,z-1 |
1_554 |
38 |
12 |
12153 |
328.6 |
2.9 |
0.787 |
4 |
1 |
0 |
0.000 |
10 |
|
I |
43 |
13 |
12558 |
◊ |
E |
x,y-1,z |
1_545 |
31 |
11 |
12243 |
323.8 |
2.1 |
0.671 |
4 |
0 |
0 |
0.000 |
| Average: |
326.2 |
2.5 |
0.729 |
4 |
1 |
0 |
0.000 |
| 6 |
11 |
|
I |
36 |
10 |
12558 |
◊ |
A |
x,y,z |
1_555 |
34 |
10 |
12153 |
317.8 |
-0.2 |
0.570 |
6 |
3 |
0 |
0.000 |
| 7 |
12 |
|
A |
24 |
8 |
12153 |
◊ |
C |
x-1,y,z |
1_455 |
21 |
9 |
12308 |
189.7 |
-1.3 |
0.423 |
0 |
0 |
0 |
0.000 |
| 8 |
13 |
|
I |
22 |
8 |
12558 |
◊ |
E |
-x,y-1/2,-z |
2_545 |
23 |
8 |
12243 |
180.7 |
-0.7 |
0.471 |
2 |
0 |
0 |
0.000 |
| 9 |
14 |
|
I |
21 |
8 |
12558 |
◊ |
E |
-x+1,y-1/2,-z+1 |
2_646 |
20 |
7 |
12243 |
172.0 |
1.0 |
0.640 |
1 |
1 |
0 |
0.000 |
| 10 |
15 |
|
I |
14 |
4 |
12558 |
◊ |
A |
-x+1,y-1/2,-z+1 |
2_646 |
14 |
4 |
12153 |
130.7 |
3.6 |
0.934 |
2 |
0 |
0 |
0.000 |
| 11 |
16 |
|
E |
17 |
6 |
12243 |
◊ |
C |
x,y,z |
1_555 |
16 |
6 |
12308 |
125.3 |
-1.9 |
0.292 |
0 |
0 |
0 |
0.000 |
| 12 |
17 |
|
C |
14 |
4 |
12308 |
◊ |
A |
x,y,z |
1_555 |
8 |
3 |
12153 |
96.1 |
-1.1 |
0.375 |
1 |
0 |
0 |
0.000 |
| 13 |
18 |
|
[INN]A:2 |
9 |
1 |
679 |
◊ |
E |
-x,y-1/2,-z+1 |
2_546 |
8 |
3 |
12243 |
84.3 |
0.2 |
0.287 |
0 |
0 |
0 |
0.000 |
19 |
|
[INN]I:2 |
7 |
1 |
672 |
◊ |
C |
-x,y-1/2,-z |
2_545 |
7 |
2 |
12308 |
76.2 |
0.3 |
0.322 |
0 |
0 |
0 |
0.000 |
| Average: |
80.3 |
0.2 |
0.305 |
0 |
0 |
0 |
0.000 |
| 14 |
20 |
|
C |
4 |
3 |
12308 |
◊ |
E |
-x,y-1/2,-z |
2_545 |
7 |
2 |
12243 |
42.1 |
-0.2 |
0.391 |
0 |
0 |
0 |
0.000 |
| 15 |
21 |
|
[ZN]C:1 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
8 |
4 |
12308 |
38.0 |
-24.4 |
0.000 |
0 |
0 |
0 |
0.063 |
22 |
|
[ZN]I:1 |
1 |
1 |
98 |
f |
I |
x,y,z |
1_555 |
9 |
4 |
12558 |
38.0 |
-24.8 |
0.000 |
0 |
0 |
0 |
0.063 |
23 |
|
[ZN]E:1 |
1 |
1 |
98 |
f |
E |
x,y,z |
1_555 |
7 |
4 |
12243 |
37.8 |
-24.4 |
0.000 |
0 |
0 |
0 |
0.063 |
24 |
|
[ZN]A:1 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
8 |
4 |
12153 |
37.8 |
-24.9 |
0.000 |
0 |
0 |
0 |
0.063 |
| Average: |
37.9 |
-24.6 |
0.000 |
0 |
0 |
0 |
0.063 |
| 16 |
25 |
|
[INN]A:2 |
6 |
1 |
679 |
f |
[ZN]A:1 |
x,y,z |
1_555 |
1 |
1 |
98 |
33.1 |
-14.8 |
0.000 |
0 |
0 |
0 |
0.038 |
26 |
|
[INN]I:2 |
5 |
1 |
672 |
f |
[ZN]I:1 |
x,y,z |
1_555 |
1 |
1 |
98 |
32.8 |
-14.7 |
0.000 |
0 |
0 |
0 |
0.038 |
27 |
|
[INN]C:2 |
5 |
1 |
675 |
f |
[ZN]C:1 |
x,y,z |
1_555 |
1 |
1 |
98 |
32.5 |
-14.6 |
0.000 |
0 |
0 |
0 |
0.038 |
28 |
|
[INN]E:2 |
5 |
1 |
669 |
f |
[ZN]E:1 |
x,y,z |
1_555 |
1 |
1 |
98 |
32.4 |
-14.5 |
0.000 |
0 |
0 |
0 |
0.038 |
| Average: |
32.7 |
-14.6 |
0.000 |
0 |
0 |
0 |
0.038 |
| 17 |
29 |
|
E |
5 |
3 |
12243 |
◊ |
A |
x,y,z |
1_555 |
5 |
2 |
12153 |
17.2 |
0.2 |
0.664 |
0 |
0 |
0 |
0.000 |
| 18 |
30 |
|
E |
2 |
1 |
12243 |
◊ |
C |
x-1,y,z |
1_455 |
3 |
1 |
12308 |
12.1 |
-0.2 |
0.419 |
0 |
0 |
0 |
0.000 |
|