## |
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 |
92 |
26 |
7998 |
◊ |
C |
x,y,z |
1_555 |
94 |
27 |
7715 |
886.9 |
-11.4 |
0.308 |
8 |
0 |
0 |
0.261 |
2 |
|
B |
93 |
24 |
7919 |
◊ |
A |
x,y,z |
1_555 |
87 |
24 |
7549 |
869.5 |
-9.5 |
0.426 |
8 |
0 |
0 |
0.261 |
Average: |
878.2 |
-10.4 |
0.367 |
8 |
0 |
0 |
0.261 |
2 |
3 |
|
[HEM]A:202 |
43 |
1 |
833 |
f |
A |
x,y,z |
1_555 |
67 |
25 |
7549 |
570.9 |
-20.1 |
0.302 |
1 |
0 |
0 |
0.359 |
4 |
|
[HEM]C:202 |
43 |
1 |
837 |
f |
C |
x,y,z |
1_555 |
69 |
25 |
7715 |
551.2 |
-18.9 |
0.350 |
0 |
0 |
0 |
0.359 |
Average: |
561.0 |
-19.5 |
0.326 |
1 |
0 |
0 |
0.359 |
3 |
5 |
|
[HEM]D:202 |
43 |
1 |
835 |
f |
D |
x,y,z |
1_555 |
64 |
25 |
7998 |
546.5 |
-19.1 |
0.281 |
0 |
0 |
0 |
0.332 |
6 |
|
[HEM]B:202 |
43 |
1 |
832 |
cf |
B |
x,y,z |
1_555 |
62 |
25 |
7919 |
542.0 |
-18.9 |
0.304 |
0 |
0 |
0 |
0.332 |
Average: |
544.3 |
-19.0 |
0.293 |
0 |
0 |
0 |
0.332 |
4 |
7 |
|
D |
54 |
12 |
7998 |
◊ |
A |
x,y,z |
1_555 |
44 |
12 |
7549 |
450.4 |
-1.2 |
0.745 |
5 |
1 |
0 |
0.048 |
8 |
|
B |
50 |
11 |
7919 |
◊ |
C |
x,y,z |
1_555 |
44 |
12 |
7715 |
398.1 |
-1.9 |
0.702 |
2 |
0 |
0 |
0.048 |
Average: |
424.2 |
-1.5 |
0.724 |
4 |
1 |
0 |
0.048 |
5 |
9 |
|
C |
40 |
13 |
7715 |
◊ |
A |
x,y,z |
1_555 |
40 |
13 |
7549 |
361.9 |
-4.4 |
0.410 |
7 |
0 |
0 |
0.058 |
6 |
10 |
|
[V39]C:203 |
17 |
1 |
449 |
cf |
C |
x,y,z |
1_555 |
31 |
11 |
7715 |
224.4 |
2.0 |
0.500 |
2 |
0 |
0 |
0.000 |
11 |
|
[V39]A:203 |
17 |
1 |
452 |
cf |
A |
x,y,z |
1_555 |
30 |
11 |
7549 |
222.7 |
1.9 |
0.501 |
2 |
0 |
0 |
0.000 |
Average: |
223.6 |
1.9 |
0.500 |
2 |
0 |
0 |
0.000 |
7 |
12 |
|
D |
29 |
9 |
7998 |
x |
D |
x-1/2,-y+1/2,-z |
4_455 |
19 |
9 |
7998 |
202.0 |
0.7 |
0.796 |
2 |
1 |
0 |
0.000 |
8 |
13 |
|
A |
22 |
12 |
7549 |
◊ |
B |
-x+1,y-1/2,-z-1/2 |
3_644 |
24 |
7 |
7919 |
200.5 |
-1.0 |
0.644 |
1 |
0 |
0 |
0.000 |
9 |
14 |
|
A |
24 |
7 |
7549 |
x |
A |
x-1/2,-y-1/2,-z |
4_445 |
15 |
6 |
7549 |
175.3 |
1.2 |
0.772 |
0 |
1 |
0 |
0.000 |
10 |
15 |
|
D |
17 |
5 |
7998 |
◊ |
B |
x,y,z |
1_555 |
21 |
5 |
7919 |
155.1 |
-0.3 |
0.653 |
2 |
0 |
0 |
0.009 |
11 |
16 |
|
C |
13 |
4 |
7715 |
◊ |
A |
-x+1/2,-y,z-1/2 |
2_554 |
19 |
5 |
7549 |
129.5 |
-1.5 |
0.529 |
0 |
0 |
0 |
0.000 |
12 |
17 |
|
B |
13 |
5 |
7919 |
◊ |
D |
-x+1,y-1/2,-z-1/2 |
3_644 |
9 |
3 |
7998 |
120.9 |
-1.2 |
0.456 |
1 |
2 |
0 |
0.000 |
13 |
18 |
|
C |
14 |
7 |
7715 |
◊ |
B |
x-1,y,z |
1_455 |
12 |
5 |
7919 |
101.8 |
0.1 |
0.737 |
1 |
2 |
0 |
0.000 |
14 |
19 |
|
[V39]A:203 |
11 |
1 |
452 |
◊ |
C |
x,y,z |
1_555 |
10 |
4 |
7715 |
95.1 |
-0.2 |
0.247 |
0 |
0 |
0 |
0.007 |
20 |
|
[V39]C:203 |
11 |
1 |
449 |
◊ |
A |
x,y,z |
1_555 |
9 |
4 |
7549 |
91.2 |
-0.3 |
0.222 |
1 |
0 |
0 |
0.007 |
Average: |
93.2 |
-0.2 |
0.234 |
1 |
0 |
0 |
0.007 |
15 |
21 |
|
[V39]C:203 |
14 |
1 |
449 |
◊ |
[V39]A:203 |
x,y,z |
1_555 |
14 |
1 |
452 |
88.2 |
0.3 |
0.128 |
0 |
0 |
0 |
0.000 |
16 |
22 |
|
A |
15 |
4 |
7549 |
◊ |
B |
x-1/2,-y-1/2,-z |
4_445 |
10 |
5 |
7919 |
86.6 |
1.5 |
0.826 |
0 |
0 |
0 |
0.000 |
17 |
23 |
|
C |
13 |
6 |
7715 |
◊ |
D |
-x+1/2,-y,z-1/2 |
2_554 |
8 |
5 |
7998 |
82.4 |
0.5 |
0.773 |
1 |
0 |
0 |
0.000 |
18 |
24 |
|
C |
5 |
2 |
7715 |
◊ |
[HEM]D:202 |
-x+1/2,-y,z-1/2 |
2_554 |
6 |
1 |
835 |
78.1 |
-1.5 |
0.535 |
3 |
0 |
0 |
0.000 |
19 |
25 |
|
B |
10 |
4 |
7919 |
◊ |
D |
-x+1/2,-y,z-1/2 |
2_554 |
8 |
4 |
7998 |
72.9 |
-1.6 |
0.295 |
0 |
0 |
0 |
0.000 |
20 |
26 |
|
[CMO]C:201 |
2 |
1 |
135 |
f |
C |
x,y,z |
1_555 |
11 |
7 |
7715 |
63.1 |
-0.8 |
0.693 |
0 |
0 |
0 |
0.014 |
21 |
27 |
|
[CMO]A:201 |
2 |
1 |
135 |
f |
A |
x,y,z |
1_555 |
11 |
6 |
7549 |
62.7 |
-0.8 |
0.696 |
1 |
0 |
0 |
0.021 |
22 |
28 |
|
[CMO]B:201 |
2 |
1 |
135 |
f |
B |
x,y,z |
1_555 |
10 |
6 |
7919 |
61.9 |
-0.7 |
0.695 |
0 |
0 |
0 |
0.013 |
23 |
29 |
|
[CMO]D:201 |
2 |
1 |
135 |
f |
D |
x,y,z |
1_555 |
9 |
6 |
7998 |
61.6 |
-0.7 |
0.677 |
0 |
0 |
0 |
0.013 |
24 |
30 |
|
[HEM]C:202 |
17 |
1 |
837 |
cf |
[CMO]C:201 |
x,y,z |
1_555 |
2 |
1 |
135 |
44.8 |
-2.0 |
0.500 |
0 |
0 |
0 |
0.035 |
25 |
31 |
|
[HEM]A:202 |
17 |
1 |
833 |
cf |
[CMO]A:201 |
x,y,z |
1_555 |
2 |
1 |
135 |
44.5 |
-2.0 |
0.500 |
0 |
0 |
0 |
0.035 |
26 |
32 |
|
[HEM]D:202 |
18 |
1 |
835 |
cf |
[CMO]D:201 |
x,y,z |
1_555 |
2 |
1 |
135 |
44.3 |
-2.0 |
0.500 |
0 |
0 |
0 |
0.034 |
27 |
33 |
|
C |
8 |
2 |
7715 |
◊ |
D |
-x,y-1/2,-z-1/2 |
3_544 |
3 |
1 |
7998 |
43.6 |
0.7 |
0.823 |
1 |
1 |
0 |
0.000 |
28 |
34 |
|
[HEM]B:202 |
16 |
1 |
832 |
cf |
[CMO]B:201 |
x,y,z |
1_555 |
2 |
1 |
135 |
43.6 |
-1.9 |
0.500 |
0 |
0 |
0 |
0.033 |
29 |
35 |
|
B |
5 |
2 |
7919 |
◊ |
C |
-x+1,y-1/2,-z-1/2 |
3_644 |
7 |
2 |
7715 |
39.2 |
-0.9 |
0.401 |
0 |
0 |
0 |
0.000 |
30 |
36 |
|
A |
3 |
3 |
7549 |
◊ |
C |
-x+1,y-1/2,-z-1/2 |
3_644 |
4 |
2 |
7715 |
27.1 |
-0.8 |
0.317 |
0 |
0 |
0 |
0.000 |
31 |
37 |
|
[HEM]A:202 |
4 |
1 |
833 |
◊ |
B |
x-1/2,-y-1/2,-z |
4_445 |
3 |
3 |
7919 |
15.1 |
-0.6 |
0.793 |
0 |
0 |
0 |
0.000 |
32 |
38 |
|
A |
4 |
2 |
7549 |
◊ |
C |
-x,y-1/2,-z-1/2 |
3_544 |
2 |
2 |
7715 |
14.9 |
-0.1 |
0.487 |
0 |
0 |
0 |
0.000 |
33 |
39 |
|
[HEM]C:202 |
1 |
1 |
837 |
◊ |
D |
-x+1/2,-y,z-1/2 |
2_554 |
1 |
1 |
7998 |
2.7 |
-0.2 |
0.545 |
0 |
0 |
0 |
0.000 |
34 |
40 |
|
A |
1 |
1 |
7549 |
◊ |
[HEM]B:202 |
-x+1,y-1/2,-z-1/2 |
3_644 |
1 |
1 |
832 |
0.8 |
0.0 |
0.887 |
0 |
0 |
0 |
0.000 |
|