| ## |
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 |
139 |
38 |
21593 |
◊ |
A |
-x,-y+1,z |
10_454 |
138 |
38 |
21593 |
1311.9 |
-11.4 |
0.284 |
16 |
12 |
0 |
0.061 |
| 2 |
2 |
|
[HEM]A:509 |
42 |
1 |
820 |
f |
A |
x,y,z |
1_555 |
72 |
25 |
21593 |
558.9 |
-24.9 |
0.045 |
5 |
0 |
0 |
0.164 |
| 3 |
3 |
|
[HEM]A:508 |
42 |
1 |
813 |
cf |
A |
x,y,z |
1_555 |
92 |
33 |
21593 |
527.2 |
-16.0 |
0.639 |
3 |
0 |
0 |
0.105 |
| 4 |
4 |
|
[HEM]A:510 |
43 |
1 |
852 |
cf |
A |
x,y,z |
1_555 |
76 |
27 |
21593 |
483.6 |
-20.2 |
0.092 |
3 |
0 |
0 |
0.130 |
| 5 |
5 |
|
[HEM]A:511 |
43 |
1 |
791 |
cf |
A |
x,y,z |
1_555 |
82 |
25 |
21593 |
470.8 |
-18.0 |
0.175 |
0 |
0 |
0 |
0.109 |
| 6 |
6 |
|
A |
46 |
18 |
21593 |
x |
A |
-y+1/2,x,z-1/4 |
11_544 |
50 |
14 |
21593 |
443.1 |
1.2 |
0.802 |
4 |
2 |
0 |
0.000 |
| 7 |
7 |
|
[HEM]A:512 |
41 |
1 |
824 |
f |
A |
x,y,z |
1_555 |
57 |
21 |
21593 |
441.2 |
-16.1 |
0.157 |
2 |
0 |
0 |
0.103 |
| 8 |
8 |
|
A |
19 |
6 |
21593 |
◊ |
A |
-y+1/2,-x+1/2,-z+1/2 |
16_555 |
19 |
6 |
21593 |
136.6 |
-0.5 |
0.599 |
0 |
0 |
0 |
0.000 |
| 9 |
9 |
|
[ACT]A:6 |
4 |
1 |
182 |
f |
A |
x,y,z |
1_555 |
16 |
8 |
21593 |
100.1 |
-0.1 |
0.698 |
2 |
0 |
0 |
0.006 |
| 10 |
10 |
|
[HEM]A:512 |
19 |
1 |
824 |
◊ |
[HEM]A:512 |
-x,-y+1,z |
10_454 |
19 |
1 |
824 |
98.5 |
-4.9 |
0.996 |
0 |
0 |
0 |
0.015 |
| 11 |
11 |
|
A |
8 |
3 |
21593 |
◊ |
A |
x,-y+1/2,-z+1/4 |
6_555 |
8 |
3 |
21593 |
95.8 |
-0.3 |
0.586 |
2 |
0 |
0 |
0.000 |
| 12 |
12 |
|
[HEM]A:511 |
20 |
1 |
791 |
f |
[HEM]A:510 |
x,y,z |
1_555 |
18 |
1 |
852 |
93.8 |
-3.9 |
0.999 |
0 |
0 |
0 |
0.024 |
| 13 |
13 |
|
[HEM]A:510 |
17 |
1 |
852 |
f |
[HEM]A:508 |
x,y,z |
1_555 |
17 |
1 |
813 |
91.2 |
-3.7 |
0.998 |
0 |
0 |
0 |
0.022 |
| 14 |
14 |
|
[HEM]A:512 |
12 |
1 |
824 |
◊ |
A |
-x,-y+1,z |
10_454 |
16 |
8 |
21593 |
91.1 |
-3.0 |
0.724 |
1 |
0 |
0 |
0.021 |
| 15 |
15 |
|
[Y1]A:3 |
1 |
1 |
196 |
f |
A |
x,y,z |
1_555 |
24 |
9 |
21593 |
88.6 |
-5.9 |
0.000 |
0 |
0 |
0 |
0.036 |
| 16 |
16 |
|
[Y1]A:2 |
1 |
1 |
196 |
f |
A |
x,y,z |
1_555 |
16 |
5 |
21593 |
86.0 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.030 |
| 17 |
17 |
|
[SO3]A:1 |
4 |
1 |
173 |
f |
A |
x,y,z |
1_555 |
14 |
6 |
21593 |
83.3 |
0.9 |
0.790 |
3 |
0 |
0 |
0.003 |
| 18 |
18 |
|
[Y1]A:4 |
1 |
1 |
196 |
x |
A |
x,y,z |
1_555 |
14 |
5 |
21593 |
82.6 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.028 |
| 19 |
19 |
|
A |
8 |
5 |
21593 |
◊ |
[Y1]A:2 |
-y+1/2,x,z-1/4 |
11_544 |
1 |
1 |
196 |
72.6 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.000 |
| 20 |
20 |
|
[ACT]A:5 |
4 |
1 |
182 |
◊ |
A |
x,y,z |
1_555 |
23 |
9 |
21593 |
70.5 |
-0.6 |
0.569 |
1 |
0 |
0 |
0.006 |
| 21 |
21 |
|
[HEM]A:512 |
16 |
1 |
824 |
f |
[HEM]A:511 |
x,y,z |
1_555 |
4 |
1 |
791 |
66.6 |
-2.5 |
0.735 |
0 |
0 |
0 |
0.015 |
| 22 |
22 |
|
[HEM]A:510 |
7 |
1 |
852 |
f |
[HEM]A:509 |
x,y,z |
1_555 |
7 |
1 |
820 |
64.8 |
-2.1 |
0.932 |
0 |
0 |
0 |
0.013 |
| 23 |
23 |
|
[HEM]A:508 |
25 |
1 |
813 |
f |
[SO3]A:1 |
x,y,z |
1_555 |
4 |
1 |
173 |
60.7 |
-2.1 |
0.512 |
0 |
0 |
0 |
0.012 |
| 24 |
24 |
|
[CA]A:513 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
9 |
7 |
21593 |
45.8 |
-12.9 |
0.000 |
0 |
0 |
0 |
0.078 |
| 25 |
25 |
|
[HEM]A:512 |
5 |
1 |
824 |
x |
[Y1]A:4 |
x,y,z |
1_555 |
1 |
1 |
196 |
45.2 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.023 |
| 26 |
26 |
|
[HEM]A:510 |
4 |
1 |
852 |
f |
[Y1]A:3 |
x,y,z |
1_555 |
1 |
1 |
196 |
44.2 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.047 |
27 |
|
[HEM]A:511 |
6 |
1 |
791 |
f |
[Y1]A:3 |
x,y,z |
1_555 |
1 |
1 |
196 |
41.2 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.047 |
| Average: |
42.7 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.047 |
| 27 |
28 |
|
[ACT]A:5 |
3 |
1 |
182 |
fx |
[Y1]A:4 |
x,y,z |
1_555 |
1 |
1 |
196 |
37.1 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.100 |
29 |
|
[ACT]A:6 |
3 |
1 |
182 |
fx |
[Y1]A:2 |
x,y,z |
1_555 |
1 |
1 |
196 |
31.8 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.100 |
| Average: |
34.4 |
-1.4 |
0.000 |
0 |
0 |
0 |
0.100 |
| 28 |
30 |
|
[ACT]A:5 |
4 |
1 |
182 |
◊ |
A |
-x,-y+1,z |
10_454 |
7 |
3 |
21593 |
34.7 |
0.6 |
0.855 |
0 |
0 |
0 |
0.000 |
| 29 |
31 |
|
A |
7 |
3 |
21593 |
x |
A |
-y+1,x+1/2,z+1/4 |
3_655 |
6 |
3 |
21593 |
27.6 |
0.6 |
0.776 |
0 |
0 |
0 |
0.000 |
| 30 |
32 |
|
[HEM]A:512 |
4 |
1 |
824 |
◊ |
[ACT]A:5 |
x,y,z |
1_555 |
3 |
1 |
182 |
20.7 |
-0.6 |
0.808 |
0 |
0 |
0 |
0.003 |
| 31 |
33 |
|
A |
1 |
1 |
21593 |
◊ |
A |
y-1/2,x+1/2,-z+1/2 |
7_455 |
1 |
1 |
21593 |
16.0 |
1.2 |
0.967 |
0 |
0 |
0 |
0.000 |
| 32 |
34 |
|
A |
1 |
1 |
21593 |
◊ |
A |
y,x,-z |
15_444 |
1 |
1 |
21593 |
15.8 |
1.2 |
0.967 |
0 |
0 |
0 |
0.000 |
| 33 |
35 |
|
[HEM]A:511 |
1 |
1 |
791 |
f |
[HEM]A:508 |
x,y,z |
1_555 |
3 |
1 |
813 |
15.4 |
-0.5 |
0.599 |
0 |
0 |
0 |
0.003 |
| 34 |
36 |
|
[HEM]A:512 |
2 |
1 |
824 |
◊ |
[ACT]A:5 |
-x,-y+1,z |
10_454 |
3 |
1 |
182 |
15.3 |
-0.8 |
0.539 |
0 |
0 |
0 |
0.004 |
| 35 |
37 |
|
A |
3 |
1 |
21593 |
◊ |
[ACT]A:6 |
-y+1/2,x,z-1/4 |
11_544 |
1 |
1 |
182 |
6.7 |
0.1 |
0.597 |
0 |
0 |
0 |
0.000 |
|