| ## |
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 |
|
D |
338 |
83 |
14211 |
◊ |
B |
x,y,z |
1_555 |
340 |
82 |
14257 |
3388.1 |
-32.6 |
0.178 |
47 |
23 |
0 |
0.816 |
2 |
|
C |
340 |
82 |
14253 |
◊ |
A |
x,y,z |
1_555 |
340 |
82 |
14214 |
3364.1 |
-31.7 |
0.199 |
47 |
22 |
0 |
0.816 |
| Average: |
3376.1 |
-32.1 |
0.189 |
47 |
23 |
0 |
0.816 |
| 2 |
3 |
|
D |
100 |
25 |
14211 |
◊ |
C |
x,y,z |
1_555 |
99 |
26 |
14253 |
969.6 |
-7.0 |
0.458 |
8 |
6 |
0 |
0.125 |
4 |
|
B |
96 |
24 |
14257 |
◊ |
A |
x,y,z |
1_555 |
101 |
25 |
14214 |
961.1 |
-6.9 |
0.478 |
5 |
5 |
0 |
0.125 |
| Average: |
965.3 |
-7.0 |
0.468 |
7 |
6 |
0 |
0.125 |
| 3 |
5 |
|
C |
42 |
12 |
14253 |
◊ |
B |
x,y,z |
1_555 |
43 |
13 |
14257 |
440.1 |
-0.9 |
0.675 |
8 |
8 |
0 |
0.067 |
6 |
|
D |
43 |
12 |
14211 |
◊ |
A |
x,y,z |
1_555 |
45 |
13 |
14214 |
438.4 |
-0.6 |
0.712 |
9 |
8 |
0 |
0.067 |
| Average: |
439.2 |
-0.7 |
0.694 |
9 |
8 |
0 |
0.067 |
| 4 |
7 |
|
C |
37 |
12 |
14253 |
x |
C |
-x+1/2,y-1/2,-z+1 |
4_546 |
30 |
11 |
14253 |
287.4 |
1.1 |
0.705 |
3 |
5 |
0 |
0.000 |
8 |
|
D |
22 |
8 |
14211 |
x |
D |
-x-1/2,y-1/2,-z |
4_445 |
19 |
6 |
14211 |
175.4 |
-0.1 |
0.598 |
2 |
3 |
0 |
0.000 |
| Average: |
231.4 |
0.5 |
0.651 |
3 |
4 |
0 |
0.000 |
| 5 |
9 |
|
D |
30 |
8 |
14211 |
◊ |
D |
-x,y,-z |
2_555 |
31 |
8 |
14211 |
263.5 |
-1.7 |
0.542 |
2 |
0 |
0 |
0.000 |
| 6 |
10 |
|
C |
25 |
9 |
14253 |
◊ |
C |
-x,y,-z+1 |
2_556 |
24 |
9 |
14253 |
200.4 |
-1.4 |
0.545 |
0 |
0 |
0 |
0.000 |
| 7 |
11 |
|
C |
24 |
7 |
14253 |
◊ |
A |
x,y-1,z |
1_545 |
19 |
5 |
14214 |
183.1 |
-2.0 |
0.439 |
0 |
0 |
0 |
0.000 |
| 8 |
12 |
|
[PYR]C:302 |
6 |
1 |
213 |
f |
C |
x,y,z |
1_555 |
20 |
13 |
14253 |
125.9 |
4.2 |
0.600 |
4 |
0 |
0 |
0.000 |
| 9 |
13 |
|
[PYR]D:302 |
6 |
1 |
212 |
f |
D |
x,y,z |
1_555 |
20 |
13 |
14211 |
125.7 |
4.4 |
0.520 |
4 |
0 |
0 |
0.000 |
| 10 |
14 |
|
[PYR]B:302 |
6 |
1 |
212 |
f |
B |
x,y,z |
1_555 |
20 |
12 |
14257 |
125.4 |
3.4 |
0.521 |
3 |
0 |
0 |
0.000 |
| 11 |
15 |
|
[PYR]A:302 |
6 |
1 |
209 |
f |
A |
x,y,z |
1_555 |
21 |
12 |
14214 |
124.4 |
4.5 |
0.625 |
4 |
0 |
0 |
0.000 |
| 12 |
16 |
|
B |
17 |
5 |
14257 |
◊ |
C |
x-1/2,y+1/2,z |
3_455 |
11 |
3 |
14253 |
103.7 |
-3.8 |
0.079 |
0 |
0 |
0 |
0.000 |
| 13 |
17 |
|
D |
9 |
3 |
14211 |
◊ |
A |
x-1/2,y-1/2,z |
3_445 |
11 |
5 |
14214 |
87.8 |
-1.6 |
0.213 |
0 |
2 |
0 |
0.000 |
| 14 |
18 |
|
[MG]B:301 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
10 |
6 |
14257 |
48.4 |
-5.7 |
0.000 |
0 |
0 |
0 |
0.167 |
19 |
|
[MG]C:301 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
12 |
9 |
14253 |
47.5 |
-5.8 |
0.000 |
0 |
0 |
0 |
0.167 |
20 |
|
[MG]A:301 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
10 |
7 |
14214 |
47.0 |
-5.7 |
0.000 |
0 |
0 |
0 |
0.167 |
21 |
|
[MG]D:301 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
12 |
10 |
14211 |
46.7 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.167 |
| Average: |
47.4 |
-5.6 |
0.000 |
0 |
0 |
0 |
0.167 |
| 15 |
22 |
|
D |
2 |
1 |
14211 |
◊ |
B |
x,y-1,z |
1_545 |
2 |
1 |
14257 |
36.6 |
-0.8 |
0.158 |
0 |
0 |
0 |
0.000 |
| 16 |
23 |
|
[PYR]D:302 |
4 |
1 |
212 |
f |
[MG]D:301 |
x,y,z |
1_555 |
1 |
1 |
98 |
32.9 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.096 |
24 |
|
[PYR]C:302 |
4 |
1 |
213 |
f |
[MG]C:301 |
x,y,z |
1_555 |
1 |
1 |
98 |
32.5 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.096 |
25 |
|
[PYR]A:302 |
4 |
1 |
209 |
f |
[MG]A:301 |
x,y,z |
1_555 |
1 |
1 |
98 |
31.8 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.096 |
| Average: |
32.4 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.096 |
| 17 |
26 |
|
[PYR]B:302 |
4 |
1 |
212 |
f |
[MG]B:301 |
x,y,z |
1_555 |
1 |
1 |
98 |
30.3 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.045 |
| 18 |
27 |
|
A |
3 |
1 |
14214 |
◊ |
C |
-x+1/2,y-1/2,-z+1 |
4_546 |
3 |
2 |
14253 |
22.7 |
-0.7 |
0.290 |
0 |
0 |
0 |
0.000 |
| 19 |
28 |
|
B |
3 |
2 |
14257 |
◊ |
A |
x-1/2,y-1/2,z |
3_445 |
3 |
2 |
14214 |
20.1 |
-0.1 |
0.578 |
0 |
0 |
0 |
0.000 |
| 20 |
29 |
|
A |
2 |
1 |
14214 |
x |
A |
-x+1/2,y-1/2,-z+1 |
4_546 |
1 |
1 |
14214 |
4.5 |
0.1 |
0.771 |
0 |
0 |
0 |
0.000 |
| 21 |
30 |
|
B |
2 |
1 |
14257 |
x |
B |
-x-1/2,y-1/2,-z |
4_445 |
1 |
1 |
14257 |
3.8 |
-0.1 |
0.435 |
0 |
0 |
0 |
0.000 |
|