| ## |
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 |
|
A |
147 |
38 |
21800 |
◊ |
A |
-x,-y+1,z |
10_454 |
146 |
38 |
21800 |
1391.4 |
-12.0 |
0.245 |
16 |
8 |
0 |
0.062 |
| 2 |
2 |
|
[HEM]A:1509 |
43 |
1 |
807 |
cf |
A |
x,y,z |
1_555 |
73 |
25 |
21800 |
556.7 |
-24.3 |
0.050 |
6 |
0 |
0 |
0.165 |
| 3 |
3 |
|
[HEM]A:1508 |
42 |
1 |
803 |
cf |
A |
x,y,z |
1_555 |
89 |
32 |
21800 |
530.1 |
-15.7 |
0.641 |
3 |
0 |
0 |
0.105 |
| 4 |
4 |
|
[HEM]A:1511 |
43 |
1 |
829 |
cf |
A |
x,y,z |
1_555 |
80 |
25 |
21800 |
482.8 |
-18.5 |
0.173 |
1 |
0 |
0 |
0.116 |
| 5 |
5 |
|
[HEM]A:1510 |
43 |
1 |
844 |
cf |
A |
x,y,z |
1_555 |
78 |
28 |
21800 |
477.0 |
-19.9 |
0.108 |
2 |
0 |
0 |
0.127 |
| 6 |
6 |
|
A |
50 |
18 |
21800 |
x |
A |
-y+1/2,x,z-1/4 |
11_544 |
52 |
14 |
21800 |
449.0 |
1.0 |
0.782 |
3 |
3 |
0 |
0.000 |
| 7 |
7 |
|
[HEM]A:1512 |
41 |
1 |
815 |
cf |
A |
x,y,z |
1_555 |
54 |
22 |
21800 |
431.6 |
-17.2 |
0.051 |
1 |
0 |
0 |
0.108 |
| 8 |
8 |
|
A |
19 |
7 |
21800 |
◊ |
A |
-y+1/2,-x+1/2,-z+1/2 |
16_555 |
19 |
7 |
21800 |
159.6 |
0.5 |
0.709 |
0 |
0 |
0 |
0.000 |
| 9 |
9 |
|
[ACT]A:707 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
23 |
7 |
21800 |
115.1 |
-0.6 |
0.636 |
1 |
0 |
0 |
0.007 |
| 10 |
10 |
|
[HEM]A:1512 |
13 |
1 |
815 |
◊ |
A |
-x,-y+1,z |
10_454 |
15 |
8 |
21800 |
107.1 |
-2.9 |
0.755 |
0 |
0 |
0 |
0.018 |
| 11 |
11 |
|
[HEM]A:1512 |
19 |
1 |
815 |
◊ |
[HEM]A:1512 |
-x,-y+1,z |
10_454 |
19 |
1 |
815 |
95.1 |
-4.6 |
0.998 |
0 |
0 |
0 |
0.014 |
| 12 |
12 |
|
[HEM]A:1511 |
18 |
1 |
829 |
f |
[HEM]A:1510 |
x,y,z |
1_555 |
19 |
1 |
844 |
94.1 |
-4.2 |
0.998 |
0 |
0 |
0 |
0.026 |
| 13 |
13 |
|
[YT3]A:801 |
1 |
1 |
196 |
f |
A |
x,y,z |
1_555 |
16 |
5 |
21800 |
94.1 |
-5.5 |
0.000 |
0 |
0 |
0 |
0.034 |
| 14 |
14 |
|
[HEM]A:1510 |
18 |
1 |
844 |
f |
[HEM]A:1508 |
x,y,z |
1_555 |
17 |
1 |
803 |
89.8 |
-3.6 |
0.999 |
0 |
0 |
0 |
0.022 |
| 15 |
15 |
|
[YT3]A:803 |
1 |
1 |
196 |
x |
A |
x,y,z |
1_555 |
13 |
5 |
21800 |
80.7 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.028 |
| 16 |
16 |
|
A |
8 |
5 |
21800 |
◊ |
[YT3]A:801 |
-y+1/2,x,z-1/4 |
11_544 |
1 |
1 |
196 |
79.7 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.000 |
| 17 |
17 |
|
[NO2]A:704 |
3 |
1 |
159 |
f |
A |
x,y,z |
1_555 |
12 |
6 |
21800 |
76.9 |
2.2 |
0.966 |
3 |
0 |
0 |
0.000 |
| 18 |
18 |
|
[YT3]A:802 |
1 |
1 |
196 |
f |
A |
x,y,z |
1_555 |
18 |
8 |
21800 |
76.7 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.029 |
| 19 |
19 |
|
[ACT]A:705 |
4 |
1 |
183 |
◊ |
A |
x,y,z |
1_555 |
19 |
9 |
21800 |
67.4 |
-0.7 |
0.545 |
1 |
0 |
0 |
0.007 |
| 20 |
20 |
|
[HEM]A:1512 |
14 |
1 |
815 |
f |
[HEM]A:1511 |
x,y,z |
1_555 |
4 |
1 |
829 |
63.4 |
-2.3 |
0.787 |
0 |
0 |
0 |
0.014 |
| 21 |
21 |
|
[HEM]A:1510 |
7 |
1 |
844 |
f |
[HEM]A:1509 |
x,y,z |
1_555 |
6 |
1 |
807 |
60.3 |
-1.9 |
0.915 |
0 |
0 |
0 |
0.012 |
| 22 |
22 |
|
[ACT]A:706 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
11 |
5 |
21800 |
57.4 |
0.1 |
0.722 |
0 |
0 |
0 |
0.000 |
| 23 |
23 |
|
[HEM]A:1508 |
20 |
1 |
803 |
cf |
[NO2]A:704 |
x,y,z |
1_555 |
3 |
1 |
159 |
53.0 |
-0.4 |
1.000 |
0 |
0 |
0 |
0.003 |
| 24 |
24 |
|
[YT3]A:802 |
1 |
1 |
196 |
fx |
[ACT]A:706 |
x,y,z |
1_555 |
3 |
1 |
183 |
48.2 |
-1.5 |
0.000 |
0 |
0 |
0 |
0.103 |
25 |
|
[YT3]A:803 |
1 |
1 |
196 |
fx |
[ACT]A:705 |
x,y,z |
1_555 |
3 |
1 |
183 |
39.5 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.103 |
| Average: |
43.9 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.103 |
| 25 |
26 |
|
A |
3 |
1 |
21800 |
◊ |
A |
y-1/2,x+1/2,-z+1/2 |
7_455 |
3 |
1 |
21800 |
48.1 |
2.0 |
0.951 |
0 |
0 |
0 |
0.000 |
| 26 |
27 |
|
A |
8 |
3 |
21800 |
x |
A |
-y+1,x+1/2,z+1/4 |
3_655 |
6 |
4 |
21800 |
46.0 |
0.9 |
0.813 |
0 |
0 |
0 |
0.000 |
| 27 |
28 |
|
[CA]A:513 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
10 |
7 |
21800 |
45.6 |
-12.9 |
0.000 |
0 |
0 |
0 |
0.079 |
| 28 |
29 |
|
[HEM]A:1512 |
5 |
1 |
815 |
x |
[YT3]A:803 |
x,y,z |
1_555 |
1 |
1 |
196 |
43.8 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.022 |
| 29 |
30 |
|
[HEM]A:1511 |
4 |
1 |
829 |
f |
[YT3]A:802 |
x,y,z |
1_555 |
1 |
1 |
196 |
38.9 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.044 |
31 |
|
[HEM]A:1510 |
5 |
1 |
844 |
f |
[YT3]A:802 |
x,y,z |
1_555 |
1 |
1 |
196 |
38.8 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.044 |
| Average: |
38.9 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.044 |
| 30 |
32 |
|
[HEM]A:1511 |
4 |
1 |
829 |
f |
[ACT]A:706 |
x,y,z |
1_555 |
4 |
1 |
183 |
33.0 |
-1.2 |
0.639 |
0 |
0 |
0 |
0.008 |
| 31 |
33 |
|
[ACT]A:705 |
4 |
1 |
183 |
◊ |
A |
-x,-y+1,z |
10_454 |
7 |
3 |
21800 |
31.9 |
0.6 |
0.853 |
0 |
0 |
0 |
0.000 |
| 32 |
34 |
|
A |
3 |
2 |
21800 |
◊ |
A |
x,-y+1/2,-z+1/4 |
6_555 |
3 |
2 |
21800 |
31.7 |
-1.0 |
0.160 |
0 |
0 |
0 |
0.000 |
| 33 |
35 |
|
A |
5 |
2 |
21800 |
◊ |
A |
y,x,-z |
15_444 |
5 |
2 |
21800 |
23.0 |
1.0 |
0.850 |
0 |
0 |
0 |
0.000 |
| 34 |
36 |
|
[HEM]A:1512 |
4 |
1 |
815 |
◊ |
[ACT]A:705 |
x,y,z |
1_555 |
4 |
1 |
183 |
21.5 |
-0.5 |
0.795 |
0 |
0 |
0 |
0.003 |
| 35 |
37 |
|
[HEM]A:1512 |
3 |
1 |
815 |
◊ |
[ACT]A:705 |
-x,-y+1,z |
10_454 |
3 |
1 |
183 |
18.5 |
-0.9 |
0.626 |
0 |
0 |
0 |
0.005 |
| 36 |
38 |
|
[HEM]A:1511 |
1 |
1 |
829 |
f |
[HEM]A:1508 |
x,y,z |
1_555 |
3 |
1 |
803 |
15.1 |
-0.5 |
0.634 |
0 |
0 |
0 |
0.003 |
| 37 |
39 |
|
[HEM]A:1510 |
1 |
1 |
844 |
f |
[ACT]A:706 |
x,y,z |
1_555 |
3 |
1 |
183 |
9.7 |
-0.4 |
0.419 |
0 |
0 |
0 |
0.002 |
| 38 |
40 |
|
[ACT]A:705 |
3 |
1 |
183 |
f |
[ACT]A:705 |
-x,-y+1,z |
10_454 |
3 |
1 |
183 |
5.7 |
0.1 |
0.688 |
0 |
0 |
0 |
0.000 |
|