| ## |
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 |
|
C |
59 |
18 |
6170 |
◊ |
B |
x,y,z |
1_555 |
66 |
20 |
6170 |
577.1 |
-0.3 |
0.610 |
6 |
10 |
0 |
0.040 |
2 |
|
D |
61 |
18 |
6208 |
◊ |
A |
x,y,z |
1_555 |
51 |
14 |
6166 |
542.1 |
-2.3 |
0.445 |
5 |
9 |
0 |
0.040 |
| Average: |
559.6 |
-1.3 |
0.527 |
6 |
10 |
0 |
0.040 |
| 2 |
3 |
|
[HEM]C:152 |
43 |
1 |
802 |
cf |
C |
x,y,z |
1_555 |
73 |
20 |
6170 |
530.5 |
-19.5 |
0.278 |
0 |
0 |
0 |
0.406 |
4 |
|
[HEM]B:151 |
43 |
1 |
802 |
cf |
B |
x,y,z |
1_555 |
68 |
20 |
6170 |
530.4 |
-19.6 |
0.264 |
0 |
0 |
0 |
0.406 |
5 |
|
[HEM]A:150 |
43 |
1 |
798 |
cf |
A |
x,y,z |
1_555 |
72 |
20 |
6166 |
524.3 |
-19.4 |
0.281 |
0 |
0 |
0 |
0.406 |
6 |
|
[HEM]D:153 |
43 |
1 |
799 |
cf |
D |
x,y,z |
1_555 |
69 |
20 |
6208 |
522.6 |
-19.3 |
0.276 |
0 |
0 |
0 |
0.406 |
| Average: |
527.0 |
-19.4 |
0.275 |
0 |
0 |
0 |
0.406 |
| 3 |
7 |
|
D |
51 |
16 |
6208 |
◊ |
C |
x,y,z |
1_555 |
46 |
17 |
6170 |
467.4 |
-4.0 |
0.287 |
2 |
4 |
0 |
0.037 |
8 |
|
B |
47 |
16 |
6170 |
◊ |
A |
x,y,z |
1_555 |
41 |
15 |
6166 |
436.0 |
-2.9 |
0.377 |
2 |
2 |
0 |
0.037 |
| Average: |
451.7 |
-3.4 |
0.332 |
2 |
3 |
0 |
0.037 |
| 4 |
9 |
|
B |
42 |
10 |
6170 |
◊ |
C |
-x+1/2,y-1/2,-z |
3_545 |
45 |
12 |
6170 |
361.8 |
1.5 |
0.695 |
6 |
5 |
0 |
0.000 |
| 5 |
10 |
|
D |
37 |
11 |
6208 |
◊ |
C |
-x+1/2,y-1/2,-z+1 |
3_546 |
32 |
7 |
6170 |
278.4 |
1.0 |
0.665 |
5 |
9 |
0 |
0.013 |
| 6 |
11 |
|
A |
30 |
7 |
6166 |
◊ |
B |
-x+1/2,y-1/2,-z |
3_545 |
31 |
8 |
6170 |
250.6 |
2.1 |
0.735 |
8 |
7 |
0 |
0.013 |
| 7 |
12 |
|
D |
27 |
7 |
6208 |
◊ |
B |
x,y,z |
1_555 |
26 |
7 |
6170 |
225.9 |
-0.0 |
0.620 |
5 |
7 |
0 |
0.039 |
13 |
|
C |
26 |
7 |
6170 |
◊ |
A |
x,y,z |
1_555 |
26 |
6 |
6166 |
222.6 |
0.0 |
0.608 |
6 |
8 |
0 |
0.039 |
| Average: |
224.3 |
0.0 |
0.614 |
6 |
8 |
0 |
0.039 |
| 8 |
14 |
|
A |
25 |
9 |
6166 |
◊ |
A |
-x,-y,z |
2_555 |
25 |
9 |
6166 |
188.5 |
-0.5 |
0.534 |
2 |
0 |
0 |
0.000 |
| 9 |
15 |
|
A |
22 |
7 |
6166 |
◊ |
D |
-x+1/2,y-1/2,-z+1 |
3_546 |
24 |
5 |
6208 |
164.4 |
2.0 |
0.777 |
3 |
4 |
0 |
0.000 |
| 10 |
16 |
|
C |
19 |
7 |
6170 |
◊ |
A |
-x,-y,z |
2_555 |
12 |
4 |
6166 |
154.2 |
0.8 |
0.635 |
1 |
0 |
0 |
0.000 |
| 11 |
17 |
|
A |
16 |
6 |
6166 |
◊ |
A |
-x+1,-y,z |
2_655 |
16 |
6 |
6166 |
143.7 |
-2.2 |
0.273 |
0 |
0 |
0 |
0.000 |
| 12 |
18 |
|
B |
13 |
6 |
6170 |
◊ |
A |
-x,-y,z |
2_555 |
14 |
6 |
6166 |
124.3 |
0.9 |
0.711 |
2 |
3 |
0 |
0.000 |
| 13 |
19 |
|
D |
15 |
7 |
6208 |
◊ |
A |
-x+1,-y,z |
2_655 |
19 |
5 |
6166 |
123.3 |
-0.5 |
0.537 |
0 |
0 |
0 |
0.000 |
| 14 |
20 |
|
B |
12 |
5 |
6170 |
x |
B |
x-1/2,-y+1/2,-z |
4_455 |
14 |
5 |
6170 |
105.9 |
-1.1 |
0.423 |
0 |
0 |
0 |
0.000 |
| 15 |
21 |
|
C |
8 |
3 |
6170 |
◊ |
D |
x-1/2,-y+1/2,-z+1 |
4_456 |
14 |
5 |
6208 |
104.3 |
2.1 |
0.826 |
2 |
3 |
0 |
0.000 |
| 16 |
22 |
|
[HEM]A:150 |
7 |
1 |
798 |
◊ |
B |
-x+1/2,y-1/2,-z |
3_545 |
4 |
2 |
6170 |
35.3 |
-0.1 |
0.912 |
0 |
0 |
0 |
0.000 |
| 17 |
23 |
|
[ZN]B:502 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
4 |
2 |
6170 |
31.0 |
-15.8 |
0.000 |
0 |
0 |
0 |
0.327 |
24 |
|
[ZN]A:500 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
4 |
2 |
6166 |
30.9 |
-15.7 |
0.000 |
0 |
0 |
0 |
0.327 |
25 |
|
[ZN]C:501 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
4 |
2 |
6170 |
30.8 |
-15.8 |
0.000 |
0 |
0 |
0 |
0.327 |
26 |
|
[ZN]D:503 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
5 |
2 |
6208 |
30.4 |
-15.5 |
0.000 |
0 |
0 |
0 |
0.327 |
| Average: |
30.8 |
-15.7 |
0.000 |
0 |
0 |
0 |
0.327 |
| 18 |
27 |
|
[ZN]C:501 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
6 |
3 |
6166 |
29.9 |
-12.8 |
0.000 |
0 |
0 |
0 |
0.253 |
28 |
|
[ZN]A:500 |
1 |
1 |
98 |
◊ |
C |
x,y,z |
1_555 |
5 |
3 |
6170 |
29.2 |
-12.4 |
0.000 |
0 |
0 |
0 |
0.253 |
29 |
|
[ZN]B:502 |
1 |
1 |
98 |
◊ |
D |
x,y,z |
1_555 |
5 |
3 |
6208 |
27.3 |
-11.3 |
0.000 |
0 |
0 |
0 |
0.253 |
30 |
|
[ZN]D:503 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
5 |
3 |
6170 |
26.5 |
-11.0 |
0.000 |
0 |
0 |
0 |
0.253 |
| Average: |
28.2 |
-11.9 |
0.000 |
0 |
0 |
0 |
0.253 |
| 19 |
31 |
|
[ZN]D:503 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
4 |
2 |
6166 |
29.2 |
-12.0 |
0.000 |
0 |
0 |
0 |
0.173 |
32 |
|
[ZN]B:502 |
1 |
1 |
98 |
◊ |
C |
x,y,z |
1_555 |
4 |
2 |
6170 |
29.1 |
-12.1 |
0.000 |
0 |
0 |
0 |
0.173 |
33 |
|
[ZN]A:500 |
1 |
1 |
98 |
◊ |
D |
x,y,z |
1_555 |
4 |
3 |
6208 |
26.9 |
-10.4 |
0.000 |
0 |
0 |
0 |
0.173 |
34 |
|
[ZN]C:501 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
3 |
2 |
6170 |
26.2 |
-10.5 |
0.000 |
0 |
0 |
0 |
0.173 |
| Average: |
27.9 |
-11.3 |
0.000 |
0 |
0 |
0 |
0.173 |
| 20 |
35 |
|
[HEM]D:153 |
4 |
1 |
799 |
◊ |
C |
-x+1/2,y-1/2,-z+1 |
3_546 |
7 |
2 |
6170 |
27.7 |
-1.0 |
0.649 |
0 |
0 |
0 |
0.005 |
| 21 |
36 |
|
D |
5 |
3 |
6208 |
x |
D |
-x+1/2,y-1/2,-z+1 |
3_546 |
2 |
1 |
6208 |
24.2 |
1.1 |
0.809 |
0 |
0 |
0 |
0.000 |
| 22 |
37 |
|
[HEM]B:151 |
9 |
1 |
802 |
◊ |
C |
-x+1/2,y-1/2,-z |
3_545 |
3 |
1 |
6170 |
19.6 |
-0.3 |
0.862 |
0 |
0 |
0 |
0.000 |
| 23 |
38 |
|
A |
3 |
2 |
6166 |
◊ |
[HEM]D:153 |
-x+1/2,y-1/2,-z+1 |
3_546 |
6 |
1 |
799 |
14.7 |
-0.0 |
0.876 |
0 |
0 |
0 |
0.000 |
| 24 |
39 |
|
A |
1 |
1 |
6166 |
◊ |
[HEM]B:151 |
-x+1/2,y-1/2,-z |
3_545 |
3 |
1 |
802 |
13.5 |
-0.2 |
0.807 |
0 |
0 |
0 |
0.000 |
| 25 |
40 |
|
D |
2 |
1 |
6208 |
◊ |
[HEM]C:152 |
-x+1/2,y-1/2,-z+1 |
3_546 |
6 |
1 |
802 |
13.1 |
0.0 |
0.897 |
0 |
0 |
0 |
0.000 |
| 26 |
41 |
|
B |
1 |
1 |
6170 |
◊ |
[HEM]C:152 |
-x+1/2,y-1/2,-z |
3_545 |
2 |
1 |
802 |
2.3 |
0.0 |
0.893 |
0 |
0 |
0 |
0.000 |
|