## |
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 |
264 |
72 |
17135 |
◊ |
B |
x,y,z |
1_555 |
270 |
75 |
16850 |
2461.9 |
-12.1 |
0.421 |
42 |
12 |
0 |
0.337 |
2 |
|
C |
255 |
72 |
16805 |
◊ |
A |
x,y,z |
1_555 |
252 |
71 |
16901 |
2377.8 |
-11.8 |
0.413 |
40 |
13 |
0 |
0.337 |
Average: |
2419.9 |
-11.9 |
0.417 |
41 |
13 |
0 |
0.337 |
2 |
3 |
|
D |
63 |
19 |
17135 |
◊ |
A |
x,y-1,z |
1_545 |
79 |
26 |
16901 |
648.2 |
-1.0 |
0.592 |
7 |
0 |
0 |
0.000 |
3 |
4 |
|
[HEM]D:401 |
43 |
1 |
793 |
f |
D |
x,y,z |
1_555 |
88 |
32 |
17135 |
622.8 |
-23.1 |
0.265 |
4 |
0 |
0 |
0.536 |
5 |
|
[HEM]A:401 |
43 |
1 |
798 |
f |
A |
x,y,z |
1_555 |
86 |
33 |
16901 |
619.2 |
-22.3 |
0.253 |
6 |
0 |
0 |
0.536 |
6 |
|
[HEM]C:401 |
43 |
1 |
795 |
f |
C |
x,y,z |
1_555 |
85 |
30 |
16805 |
614.9 |
-23.0 |
0.266 |
5 |
0 |
0 |
0.536 |
Average: |
619.0 |
-22.8 |
0.262 |
5 |
0 |
0 |
0.536 |
4 |
7 |
|
[HEM]B:401 |
43 |
1 |
803 |
f |
B |
x,y,z |
1_555 |
79 |
30 |
16850 |
593.5 |
-21.1 |
0.272 |
6 |
0 |
0 |
0.236 |
5 |
8 |
|
B |
47 |
15 |
16850 |
◊ |
D |
x-1,y,z |
1_455 |
49 |
17 |
17135 |
380.9 |
4.1 |
0.892 |
6 |
1 |
0 |
0.000 |
9 |
|
A |
34 |
13 |
16901 |
◊ |
C |
x-1,y,z |
1_455 |
41 |
15 |
16805 |
311.4 |
1.3 |
0.755 |
6 |
1 |
0 |
0.000 |
Average: |
346.1 |
2.7 |
0.824 |
6 |
1 |
0 |
0.000 |
6 |
10 |
|
D |
43 |
20 |
17135 |
◊ |
C |
x,y-1,z+1 |
1_546 |
48 |
19 |
16805 |
379.1 |
0.4 |
0.721 |
4 |
1 |
0 |
0.000 |
11 |
|
D |
48 |
20 |
17135 |
◊ |
C |
x-1,y-1,z+1 |
1_446 |
44 |
21 |
16805 |
348.6 |
2.9 |
0.870 |
3 |
0 |
0 |
0.000 |
Average: |
363.8 |
1.7 |
0.796 |
4 |
1 |
0 |
0.000 |
7 |
12 |
|
B |
27 |
12 |
16850 |
◊ |
A |
x-1,y,z |
1_455 |
29 |
9 |
16901 |
251.1 |
2.7 |
0.850 |
3 |
3 |
0 |
0.000 |
13 |
|
B |
31 |
10 |
16850 |
◊ |
A |
x,y,z |
1_555 |
26 |
11 |
16901 |
233.0 |
3.1 |
0.881 |
4 |
2 |
0 |
0.000 |
Average: |
242.0 |
2.9 |
0.866 |
4 |
3 |
0 |
0.000 |
8 |
14 |
|
D |
21 |
8 |
17135 |
◊ |
C |
x,y-1,z |
1_545 |
19 |
5 |
16805 |
175.5 |
-3.4 |
0.162 |
0 |
0 |
0 |
0.000 |
9 |
15 |
|
[GOL]B:403 |
6 |
1 |
222 |
f |
B |
x,y,z |
1_555 |
28 |
14 |
16850 |
141.7 |
-0.2 |
0.549 |
5 |
0 |
0 |
0.024 |
10 |
16 |
|
[MPD]B:404 |
6 |
1 |
279 |
f |
D |
x-1,y,z |
1_455 |
11 |
4 |
17135 |
102.5 |
-5.9 |
0.637 |
0 |
0 |
0 |
0.059 |
11 |
17 |
|
[MPD]B:404 |
5 |
1 |
279 |
◊ |
B |
x,y,z |
1_555 |
10 |
3 |
16850 |
82.3 |
-5.2 |
0.490 |
1 |
0 |
0 |
0.000 |
12 |
18 |
|
[CL]D:403 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
10 |
4 |
17135 |
64.6 |
-9.6 |
0.000 |
0 |
0 |
0 |
0.095 |
13 |
19 |
|
[CL]A:404 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
13 |
5 |
16901 |
59.8 |
-8.0 |
0.000 |
0 |
0 |
0 |
0.086 |
14 |
20 |
|
[OXY]B:402 |
2 |
1 |
120 |
f |
B |
x,y,z |
1_555 |
11 |
6 |
16850 |
57.5 |
1.3 |
0.869 |
0 |
0 |
0 |
0.000 |
15 |
21 |
|
[OXY]C:402 |
2 |
1 |
120 |
f |
C |
x,y,z |
1_555 |
11 |
6 |
16805 |
56.1 |
1.2 |
0.852 |
0 |
0 |
0 |
0.000 |
16 |
22 |
|
[OXY]A:402 |
2 |
1 |
119 |
f |
A |
x,y,z |
1_555 |
11 |
6 |
16901 |
54.9 |
1.1 |
0.831 |
0 |
0 |
0 |
0.000 |
17 |
23 |
|
[OXY]D:402 |
2 |
1 |
120 |
f |
D |
x,y,z |
1_555 |
11 |
6 |
17135 |
53.9 |
1.1 |
0.836 |
1 |
0 |
0 |
0.000 |
18 |
24 |
|
B |
3 |
1 |
16850 |
◊ |
C |
x-1,y-1,z |
1_445 |
6 |
3 |
16805 |
50.6 |
0.4 |
0.732 |
0 |
0 |
0 |
0.000 |
19 |
25 |
|
[GOL]B:403 |
4 |
1 |
222 |
f |
[HEM]B:401 |
x,y,z |
1_555 |
6 |
1 |
803 |
41.3 |
-0.9 |
0.617 |
0 |
0 |
0 |
0.009 |
20 |
26 |
|
[CL]A:404 |
1 |
1 |
125 |
◊ |
C |
x,y,z |
1_555 |
7 |
4 |
16805 |
39.9 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.050 |
21 |
27 |
|
[OXY]D:402 |
2 |
1 |
120 |
f |
[HEM]D:401 |
x,y,z |
1_555 |
16 |
1 |
793 |
39.3 |
-0.8 |
1.000 |
0 |
0 |
0 |
0.008 |
22 |
28 |
|
[OXY]A:402 |
2 |
1 |
119 |
f |
[HEM]A:401 |
x,y,z |
1_555 |
18 |
1 |
798 |
37.7 |
-0.7 |
1.000 |
0 |
0 |
0 |
0.008 |
23 |
29 |
|
[OXY]C:402 |
2 |
1 |
120 |
f |
[HEM]C:401 |
x,y,z |
1_555 |
18 |
1 |
795 |
37.1 |
-0.7 |
1.000 |
0 |
0 |
0 |
0.008 |
24 |
30 |
|
D |
4 |
1 |
17135 |
◊ |
A |
x,y,z |
1_555 |
5 |
2 |
16901 |
35.0 |
-0.7 |
0.299 |
0 |
0 |
0 |
0.000 |
25 |
31 |
|
[OXY]B:402 |
2 |
1 |
120 |
f |
[HEM]B:401 |
x,y,z |
1_555 |
17 |
1 |
803 |
35.0 |
-0.5 |
1.000 |
0 |
0 |
0 |
0.005 |
26 |
32 |
|
A |
2 |
1 |
16901 |
◊ |
C |
x,y-1,z |
1_545 |
4 |
2 |
16805 |
26.5 |
1.1 |
0.880 |
0 |
1 |
0 |
0.000 |
27 |
33 |
|
B |
5 |
3 |
16850 |
◊ |
A |
x,y-1,z |
1_545 |
4 |
3 |
16901 |
23.2 |
0.2 |
0.653 |
0 |
0 |
0 |
0.000 |
28 |
34 |
|
[MPD]B:404 |
1 |
1 |
279 |
f |
[CL]D:403 |
x-1,y,z |
1_455 |
1 |
1 |
125 |
10.3 |
-1.5 |
0.000 |
0 |
0 |
0 |
0.015 |
|