| ## |
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 |
|
B |
150 |
40 |
12375 |
◊ |
A |
x,y,z |
1_555 |
165 |
39 |
21674 |
1616.0 |
-28.9 |
0.211 |
9 |
3 |
0 |
0.301 |
2 |
|
E |
155 |
40 |
12395 |
◊ |
D |
x,y,z |
1_555 |
169 |
39 |
21732 |
1596.4 |
-27.7 |
0.292 |
10 |
3 |
0 |
0.301 |
| Average: |
1606.2 |
-28.3 |
0.251 |
10 |
3 |
0 |
0.301 |
| 2 |
3 |
|
D |
156 |
42 |
21732 |
◊ |
A |
x,y,z |
1_555 |
159 |
41 |
21674 |
1538.0 |
-27.6 |
0.626 |
18 |
7 |
0 |
0.251 |
| 3 |
4 |
|
F |
123 |
33 |
9850 |
◊ |
A |
x,y,z |
1_555 |
125 |
42 |
21674 |
1266.2 |
-20.6 |
0.375 |
8 |
0 |
0 |
0.244 |
5 |
|
C |
126 |
33 |
9692 |
◊ |
D |
x,y,z |
1_555 |
126 |
43 |
21732 |
1253.7 |
-20.5 |
0.404 |
7 |
0 |
0 |
0.244 |
| Average: |
1259.9 |
-20.5 |
0.390 |
8 |
0 |
0 |
0.244 |
| 4 |
6 |
|
[HEM]D:501 |
43 |
1 |
812 |
f |
D |
x,y,z |
1_555 |
90 |
31 |
21732 |
612.3 |
-21.2 |
0.742 |
4 |
0 |
0 |
0.330 |
7 |
|
[HEM]A:501 |
43 |
1 |
818 |
f |
A |
x,y,z |
1_555 |
86 |
31 |
21674 |
610.5 |
-23.4 |
0.708 |
4 |
0 |
0 |
0.330 |
| Average: |
611.4 |
-22.3 |
0.725 |
4 |
0 |
0 |
0.330 |
| 5 |
8 |
|
[SMA]A:502 |
37 |
1 |
846 |
f |
A |
x,y,z |
1_555 |
80 |
29 |
21674 |
610.3 |
-5.5 |
0.515 |
2 |
0 |
0 |
0.084 |
9 |
|
[SMA]D:502 |
37 |
1 |
843 |
f |
D |
x,y,z |
1_555 |
81 |
29 |
21732 |
608.8 |
-5.4 |
0.521 |
1 |
0 |
0 |
0.084 |
| Average: |
609.5 |
-5.5 |
0.518 |
2 |
0 |
0 |
0.084 |
| 6 |
10 |
|
[HEM]D:500 |
43 |
1 |
782 |
f |
D |
x,y,z |
1_555 |
89 |
31 |
21732 |
600.6 |
-23.3 |
0.661 |
2 |
0 |
0 |
0.333 |
11 |
|
[HEM]A:500 |
43 |
1 |
785 |
cf |
A |
x,y,z |
1_555 |
87 |
31 |
21674 |
598.3 |
-23.1 |
0.657 |
3 |
0 |
0 |
0.333 |
| Average: |
599.5 |
-23.2 |
0.659 |
3 |
0 |
0 |
0.333 |
| 7 |
12 |
|
[HEC]B:500 |
43 |
1 |
819 |
cf |
B |
x,y,z |
1_555 |
67 |
26 |
12375 |
568.4 |
-22.1 |
0.294 |
3 |
0 |
0 |
0.209 |
13 |
|
[HEC]E:500 |
43 |
1 |
810 |
cf |
E |
x,y,z |
1_555 |
67 |
26 |
12395 |
562.6 |
-21.3 |
0.319 |
3 |
0 |
0 |
0.209 |
| Average: |
565.5 |
-21.7 |
0.307 |
3 |
0 |
0 |
0.209 |
| 8 |
14 |
|
F |
40 |
15 |
9850 |
◊ |
E |
x,y,z |
1_555 |
43 |
14 |
12395 |
445.2 |
-6.9 |
0.283 |
2 |
1 |
0 |
0.055 |
15 |
|
C |
39 |
15 |
9692 |
◊ |
B |
x,y,z |
1_555 |
39 |
13 |
12375 |
433.7 |
-6.8 |
0.254 |
1 |
0 |
0 |
0.055 |
| Average: |
439.4 |
-6.9 |
0.269 |
2 |
1 |
0 |
0.055 |
| 9 |
16 |
|
C |
43 |
11 |
9692 |
◊ |
A |
x,y,z |
1_555 |
46 |
15 |
21674 |
432.3 |
-8.0 |
0.405 |
6 |
2 |
0 |
0.084 |
17 |
|
F |
43 |
10 |
9850 |
◊ |
D |
x,y,z |
1_555 |
46 |
14 |
21732 |
426.3 |
-7.6 |
0.433 |
6 |
1 |
0 |
0.084 |
| Average: |
429.3 |
-7.8 |
0.419 |
6 |
2 |
0 |
0.084 |
| 10 |
18 |
|
A |
35 |
11 |
21674 |
◊ |
C |
-x,y-1/2,-z |
2_545 |
35 |
11 |
9692 |
314.4 |
-2.8 |
0.772 |
4 |
0 |
0 |
0.000 |
| 11 |
19 |
|
D |
27 |
8 |
21732 |
◊ |
C |
-x,y-1/2,-z |
2_545 |
22 |
7 |
9692 |
203.0 |
-1.3 |
0.751 |
2 |
1 |
0 |
0.000 |
| 12 |
20 |
|
A |
22 |
9 |
21674 |
◊ |
F |
-x,y-1/2,-z-1 |
2_544 |
13 |
5 |
9850 |
145.4 |
-0.7 |
0.827 |
2 |
0 |
0 |
0.000 |
| 13 |
21 |
|
[FES]F:500 |
4 |
1 |
235 |
f |
F |
x,y,z |
1_555 |
16 |
8 |
9850 |
112.7 |
-15.4 |
0.672 |
3 |
0 |
0 |
0.171 |
22 |
|
[FES]C:500 |
4 |
1 |
233 |
f |
C |
x,y,z |
1_555 |
14 |
8 |
9692 |
110.6 |
-15.2 |
0.669 |
3 |
0 |
0 |
0.171 |
| Average: |
111.7 |
-15.3 |
0.670 |
3 |
0 |
0 |
0.171 |
| 14 |
23 |
|
E |
8 |
3 |
12395 |
◊ |
B |
x-1,y,z |
1_455 |
8 |
3 |
12375 |
70.7 |
-0.3 |
0.671 |
0 |
0 |
0 |
0.000 |
| 15 |
24 |
|
[SMA]A:502 |
5 |
1 |
846 |
◊ |
F |
x,y,z |
1_555 |
10 |
5 |
9850 |
68.8 |
-1.2 |
0.372 |
2 |
0 |
0 |
0.021 |
25 |
|
[SMA]D:502 |
5 |
1 |
843 |
◊ |
C |
x,y,z |
1_555 |
10 |
5 |
9692 |
66.4 |
-1.3 |
0.351 |
1 |
0 |
0 |
0.021 |
| Average: |
67.6 |
-1.2 |
0.361 |
2 |
0 |
0 |
0.021 |
| 16 |
26 |
|
A |
8 |
2 |
21674 |
◊ |
D |
x,y,z-1 |
1_554 |
8 |
2 |
21732 |
59.9 |
-1.9 |
0.387 |
0 |
0 |
0 |
0.000 |
| 17 |
27 |
|
D |
4 |
1 |
21732 |
◊ |
B |
-x,y-1/2,-z |
2_545 |
8 |
3 |
12375 |
47.4 |
0.0 |
0.732 |
0 |
0 |
0 |
0.000 |
| 18 |
28 |
|
A |
4 |
2 |
21674 |
◊ |
E |
-x,y-1/2,-z |
2_545 |
3 |
1 |
12395 |
32.9 |
0.7 |
0.900 |
1 |
1 |
0 |
0.000 |
| 19 |
29 |
|
[FES]F:500 |
2 |
1 |
235 |
◊ |
A |
x,y,z |
1_555 |
3 |
2 |
21674 |
18.3 |
-1.5 |
0.000 |
0 |
0 |
0 |
0.016 |
30 |
|
[FES]C:500 |
2 |
1 |
233 |
◊ |
D |
x,y,z |
1_555 |
3 |
2 |
21732 |
18.2 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.016 |
| Average: |
18.3 |
-1.5 |
0.000 |
0 |
0 |
0 |
0.016 |
| 20 |
31 |
|
[HEM]D:500 |
1 |
1 |
782 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
21674 |
8.3 |
-0.0 |
0.727 |
0 |
0 |
0 |
0.000 |
32 |
|
[HEM]A:500 |
1 |
1 |
785 |
◊ |
D |
x,y,z |
1_555 |
1 |
1 |
21732 |
7.1 |
-0.0 |
0.694 |
0 |
0 |
0 |
0.000 |
| Average: |
7.7 |
-0.0 |
0.711 |
0 |
0 |
0 |
0.001 |
| 21 |
33 |
|
[FES]C:500 |
2 |
1 |
233 |
◊ |
[SMA]D:502 |
x,y,z |
1_555 |
1 |
1 |
843 |
2.5 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.003 |
34 |
|
[FES]F:500 |
1 |
1 |
235 |
◊ |
[SMA]A:502 |
x,y,z |
1_555 |
1 |
1 |
846 |
2.2 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.003 |
| Average: |
2.3 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.003 |
|