## |
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 |
593 |
147 |
30908 |
◊ |
A |
x,y,z |
1_555 |
601 |
148 |
30937 |
5436.3 |
-31.0 |
0.409 |
86 |
30 |
0 |
0.632 |
2 |
|
C |
597 |
148 |
30968 |
◊ |
B |
x,y,z |
1_555 |
595 |
147 |
31105 |
5428.7 |
-27.5 |
0.512 |
86 |
33 |
0 |
0.632 |
Average: |
5432.5 |
-29.3 |
0.461 |
86 |
32 |
0 |
0.632 |
2 |
3 |
|
D |
517 |
121 |
30908 |
◊ |
B |
x,y,z |
1_555 |
519 |
123 |
31105 |
4822.5 |
-51.4 |
0.023 |
74 |
18 |
0 |
0.702 |
4 |
|
C |
512 |
120 |
30968 |
◊ |
A |
x,y,z |
1_555 |
512 |
120 |
30937 |
4792.8 |
-52.0 |
0.015 |
70 |
17 |
0 |
0.702 |
Average: |
4807.6 |
-51.7 |
0.019 |
72 |
18 |
0 |
0.702 |
3 |
5 |
|
B |
225 |
62 |
31105 |
◊ |
A |
x,y,z |
1_555 |
230 |
63 |
30937 |
2094.1 |
-21.7 |
0.083 |
31 |
0 |
0 |
0.484 |
6 |
|
D |
220 |
61 |
30908 |
◊ |
C |
x,y,z |
1_555 |
230 |
63 |
30968 |
2083.3 |
-21.4 |
0.091 |
27 |
0 |
0 |
0.484 |
Average: |
2088.7 |
-21.6 |
0.087 |
29 |
0 |
0 |
0.484 |
4 |
7 |
|
[HEM]C:4000 |
43 |
1 |
818 |
f |
C |
x,y,z |
1_555 |
90 |
29 |
30968 |
582.3 |
-17.2 |
0.650 |
6 |
0 |
0 |
0.537 |
8 |
|
[HEM]A:4000 |
43 |
1 |
823 |
f |
A |
x,y,z |
1_555 |
92 |
30 |
30937 |
581.8 |
-17.3 |
0.652 |
6 |
0 |
0 |
0.537 |
9 |
|
[HEM]B:4000 |
43 |
1 |
816 |
f |
B |
x,y,z |
1_555 |
89 |
29 |
31105 |
572.8 |
-15.3 |
0.710 |
6 |
0 |
0 |
0.537 |
10 |
|
[HEM]D:4000 |
43 |
1 |
816 |
f |
D |
x,y,z |
1_555 |
91 |
29 |
30908 |
572.4 |
-16.7 |
0.658 |
5 |
0 |
0 |
0.537 |
Average: |
577.3 |
-16.6 |
0.667 |
6 |
0 |
0 |
0.537 |
5 |
11 |
|
D |
43 |
13 |
30908 |
◊ |
A |
x-1,y+1,z |
1_465 |
37 |
12 |
30937 |
372.9 |
-2.7 |
0.438 |
2 |
0 |
0 |
0.000 |
6 |
12 |
|
B |
25 |
11 |
31105 |
◊ |
A |
x,y,z-1 |
1_554 |
24 |
10 |
30937 |
187.0 |
0.2 |
0.675 |
1 |
0 |
0 |
0.000 |
7 |
13 |
|
D |
28 |
9 |
30908 |
◊ |
A |
x-1,y,z |
1_455 |
20 |
7 |
30937 |
184.6 |
1.1 |
0.808 |
1 |
1 |
0 |
0.000 |
8 |
14 |
|
B |
18 |
5 |
31105 |
◊ |
C |
x,y-1,z |
1_545 |
14 |
5 |
30968 |
152.6 |
-1.4 |
0.416 |
1 |
0 |
0 |
0.000 |
9 |
15 |
|
[HEM]D:4000 |
8 |
1 |
816 |
◊ |
A |
x,y,z |
1_555 |
10 |
4 |
30937 |
74.4 |
-2.1 |
0.441 |
0 |
0 |
0 |
0.036 |
16 |
|
[HEM]B:4000 |
7 |
1 |
816 |
◊ |
C |
x,y,z |
1_555 |
12 |
4 |
30968 |
73.5 |
-2.1 |
0.489 |
0 |
0 |
0 |
0.036 |
17 |
|
[HEM]C:4000 |
8 |
1 |
818 |
◊ |
B |
x,y,z |
1_555 |
10 |
4 |
31105 |
72.2 |
-2.0 |
0.459 |
0 |
0 |
0 |
0.036 |
18 |
|
[HEM]A:4000 |
8 |
1 |
823 |
◊ |
D |
x,y,z |
1_555 |
11 |
4 |
30908 |
71.2 |
-2.0 |
0.487 |
0 |
0 |
0 |
0.036 |
Average: |
72.8 |
-2.1 |
0.469 |
0 |
0 |
0 |
0.036 |
10 |
19 |
|
D |
6 |
2 |
30908 |
◊ |
C |
x-1,y,z |
1_455 |
7 |
2 |
30968 |
63.9 |
2.1 |
0.937 |
2 |
1 |
0 |
0.000 |
11 |
20 |
|
C |
8 |
5 |
30968 |
◊ |
B |
x-1,y+1,z |
1_465 |
9 |
5 |
31105 |
55.5 |
-0.3 |
0.560 |
0 |
0 |
0 |
0.000 |
12 |
21 |
|
D |
7 |
2 |
30908 |
◊ |
C |
x-1,y,z+1 |
1_456 |
5 |
1 |
30968 |
53.8 |
0.0 |
0.645 |
1 |
0 |
0 |
0.000 |
13 |
22 |
|
A |
4 |
1 |
30937 |
◊ |
B |
x-1,y,z+1 |
1_456 |
4 |
1 |
31105 |
25.1 |
-0.4 |
0.421 |
0 |
0 |
0 |
0.000 |
14 |
23 |
|
A |
3 |
2 |
30937 |
◊ |
B |
x,y-1,z+1 |
1_546 |
2 |
1 |
31105 |
11.8 |
0.2 |
0.608 |
0 |
0 |
0 |
0.000 |
15 |
24 |
|
D |
1 |
1 |
30908 |
◊ |
B |
x-1,y,z+1 |
1_456 |
1 |
1 |
31105 |
5.4 |
-0.2 |
0.301 |
0 |
0 |
0 |
0.000 |
25 |
|
A |
3 |
1 |
30937 |
◊ |
C |
x,y-1,z+1 |
1_546 |
2 |
1 |
30968 |
4.7 |
-0.1 |
0.570 |
0 |
0 |
0 |
0.000 |
Average: |
5.0 |
-0.1 |
0.436 |
0 |
0 |
0 |
0.000 |
16 |
26 |
|
D |
1 |
1 |
30908 |
x |
D |
x-1,y+1,z |
1_465 |
1 |
1 |
30908 |
3.2 |
-0.1 |
0.370 |
0 |
0 |
0 |
0.000 |
27 |
|
A |
1 |
1 |
30937 |
x |
A |
x-1,y+1,z |
1_465 |
1 |
1 |
30937 |
0.3 |
-0.0 |
0.589 |
0 |
0 |
0 |
0.000 |
Average: |
1.8 |
-0.1 |
0.480 |
0 |
0 |
0 |
0.000 |
17 |
28 |
|
A |
1 |
1 |
30937 |
◊ |
C |
x-1,y,z+1 |
1_456 |
1 |
1 |
30968 |
2.9 |
0.1 |
0.568 |
0 |
0 |
0 |
0.000 |
18 |
29 |
|
C |
2 |
1 |
30968 |
◊ |
A |
x-1,y+1,z |
1_465 |
1 |
1 |
30937 |
2.2 |
-0.0 |
0.513 |
0 |
0 |
0 |
0.000 |
|