| ## |
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 |
512 |
120 |
26692 |
◊ |
A |
x,y,z |
1_555 |
502 |
117 |
26672 |
4541.7 |
-41.9 |
0.280 |
54 |
33 |
0 |
0.591 |
2 |
|
C |
492 |
120 |
26585 |
◊ |
B |
x,y,z |
1_555 |
494 |
115 |
26640 |
4505.3 |
-42.5 |
0.205 |
53 |
27 |
0 |
0.591 |
| Average: |
4523.5 |
-42.2 |
0.242 |
54 |
30 |
0 |
0.591 |
| 2 |
3 |
|
C |
474 |
120 |
26585 |
◊ |
A |
x,y,z |
1_555 |
461 |
113 |
26672 |
4421.8 |
-58.2 |
0.022 |
48 |
6 |
0 |
0.643 |
4 |
|
D |
456 |
111 |
26692 |
◊ |
B |
x,y,z |
1_555 |
456 |
113 |
26640 |
4416.4 |
-54.7 |
0.030 |
50 |
3 |
0 |
0.643 |
| Average: |
4419.1 |
-56.4 |
0.026 |
49 |
5 |
0 |
0.643 |
| 3 |
5 |
|
B |
214 |
58 |
26640 |
◊ |
A |
x,y,z |
1_555 |
215 |
62 |
26672 |
1938.2 |
-14.9 |
0.461 |
25 |
12 |
0 |
0.398 |
6 |
|
D |
213 |
59 |
26692 |
◊ |
C |
x,y,z |
1_555 |
214 |
59 |
26585 |
1909.8 |
-15.6 |
0.436 |
29 |
12 |
0 |
0.398 |
| Average: |
1924.0 |
-15.3 |
0.449 |
27 |
12 |
0 |
0.398 |
| 4 |
7 |
|
[HEM]D:507 |
43 |
1 |
818 |
f |
D |
x,y,z |
1_555 |
100 |
32 |
26692 |
601.4 |
-16.2 |
0.715 |
4 |
0 |
0 |
0.452 |
8 |
|
[HEM]B:507 |
43 |
1 |
822 |
f |
B |
x,y,z |
1_555 |
94 |
30 |
26640 |
599.6 |
-13.2 |
0.723 |
5 |
0 |
0 |
0.452 |
9 |
|
[HEM]A:507 |
43 |
1 |
814 |
f |
A |
x,y,z |
1_555 |
98 |
32 |
26672 |
596.9 |
-13.4 |
0.736 |
6 |
0 |
0 |
0.452 |
10 |
|
[HEM]C:507 |
43 |
1 |
818 |
f |
C |
x,y,z |
1_555 |
97 |
32 |
26585 |
594.5 |
-15.2 |
0.736 |
5 |
0 |
0 |
0.452 |
| Average: |
598.1 |
-14.5 |
0.727 |
5 |
0 |
0 |
0.452 |
| 5 |
11 |
|
[NDP]C:1302 |
43 |
1 |
806 |
f |
C |
x,y,z |
1_555 |
74 |
24 |
26585 |
559.3 |
-2.9 |
0.520 |
11 |
0 |
0 |
0.161 |
12 |
|
[NDP]B:1202 |
43 |
1 |
814 |
f |
B |
x,y,z |
1_555 |
63 |
23 |
26640 |
546.5 |
0.5 |
0.729 |
12 |
0 |
0 |
0.161 |
13 |
|
[NDP]A:1102 |
45 |
1 |
808 |
f |
A |
x,y,z |
1_555 |
68 |
23 |
26672 |
544.8 |
-1.7 |
0.672 |
9 |
0 |
0 |
0.161 |
14 |
|
[NDP]D:1402 |
44 |
1 |
802 |
f |
D |
x,y,z |
1_555 |
66 |
23 |
26692 |
542.8 |
-1.3 |
0.610 |
8 |
0 |
0 |
0.161 |
| Average: |
548.4 |
-1.3 |
0.633 |
10 |
0 |
0 |
0.161 |
| 6 |
15 |
|
C |
58 |
18 |
26585 |
◊ |
B |
-x,y-1/2,-z+1/2 |
3_545 |
53 |
15 |
26640 |
448.5 |
-0.5 |
0.766 |
2 |
3 |
0 |
0.000 |
| 7 |
16 |
|
A |
38 |
12 |
26672 |
◊ |
D |
x-1/2,-y+1/2,-z+1 |
4_456 |
31 |
11 |
26692 |
283.9 |
2.6 |
0.913 |
6 |
3 |
0 |
0.003 |
| 8 |
17 |
|
C |
20 |
7 |
26585 |
x |
C |
-x,y-1/2,-z+1/2 |
3_545 |
11 |
3 |
26585 |
137.2 |
-1.5 |
0.393 |
1 |
0 |
0 |
0.000 |
| 9 |
18 |
|
C |
21 |
9 |
26585 |
◊ |
A |
-x,y-1/2,-z+1/2 |
3_545 |
16 |
6 |
26672 |
118.3 |
0.3 |
0.729 |
1 |
2 |
0 |
0.000 |
| 10 |
19 |
|
C |
10 |
3 |
26585 |
◊ |
D |
-x+1,y-1/2,-z+1/2 |
3_645 |
10 |
3 |
26692 |
82.6 |
-1.7 |
0.296 |
0 |
0 |
0 |
0.000 |
| 11 |
20 |
|
A |
10 |
3 |
26672 |
◊ |
D |
x-1,y,z |
1_455 |
12 |
4 |
26692 |
73.7 |
-0.5 |
0.580 |
0 |
0 |
0 |
0.000 |
| 12 |
21 |
|
[HEM]B:507 |
6 |
1 |
822 |
◊ |
C |
x,y,z |
1_555 |
11 |
4 |
26585 |
73.2 |
-2.4 |
0.379 |
0 |
0 |
0 |
0.036 |
22 |
|
[HEM]D:507 |
9 |
1 |
818 |
◊ |
A |
x,y,z |
1_555 |
10 |
4 |
26672 |
73.1 |
-2.2 |
0.443 |
0 |
0 |
0 |
0.036 |
23 |
|
[HEM]C:507 |
6 |
1 |
818 |
◊ |
B |
x,y,z |
1_555 |
9 |
4 |
26640 |
70.6 |
-2.0 |
0.435 |
0 |
0 |
0 |
0.036 |
24 |
|
[HEM]A:507 |
6 |
1 |
814 |
◊ |
D |
x,y,z |
1_555 |
11 |
4 |
26692 |
64.0 |
-2.1 |
0.402 |
0 |
0 |
0 |
0.036 |
| Average: |
70.2 |
-2.2 |
0.415 |
0 |
0 |
0 |
0.036 |
| 13 |
25 |
|
A |
6 |
3 |
26672 |
◊ |
[NDP]D:1402 |
x-1/2,-y+1/2,-z+1 |
4_456 |
7 |
1 |
802 |
63.1 |
0.1 |
0.596 |
0 |
0 |
0 |
0.002 |
26 |
|
[NDP]A:1102 |
3 |
1 |
808 |
◊ |
D |
x-1/2,-y+1/2,-z+1 |
4_456 |
3 |
2 |
26692 |
38.9 |
-0.3 |
0.470 |
0 |
0 |
0 |
0.002 |
| Average: |
51.0 |
-0.1 |
0.533 |
0 |
0 |
0 |
0.002 |
| 14 |
27 |
|
C |
5 |
2 |
26585 |
◊ |
B |
-x+1,y-1/2,-z+1/2 |
3_645 |
4 |
2 |
26640 |
38.8 |
0.7 |
0.815 |
0 |
0 |
0 |
0.000 |
| 15 |
28 |
|
B |
1 |
1 |
26640 |
x |
B |
-x+1,y-1/2,-z+1/2 |
3_645 |
1 |
1 |
26640 |
1.2 |
-0.0 |
0.514 |
0 |
0 |
0 |
0.000 |
|