## |
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 |
99 |
27 |
21977 |
◊ |
C |
x,y,z |
1_555 |
95 |
27 |
21945 |
906.7 |
-4.0 |
0.493 |
12 |
3 |
0 |
0.023 |
2 |
|
B |
101 |
30 |
21996 |
◊ |
A |
x,y,z |
1_555 |
93 |
28 |
21961 |
885.6 |
-5.9 |
0.423 |
14 |
3 |
0 |
0.023 |
Average: |
896.2 |
-4.9 |
0.458 |
13 |
3 |
0 |
0.023 |
2 |
3 |
|
B |
76 |
16 |
21996 |
◊ |
C |
-x+1,y-1/2,-z+1 |
2_646 |
84 |
18 |
21945 |
748.3 |
-11.4 |
0.071 |
3 |
0 |
0 |
0.024 |
4 |
|
A |
68 |
17 |
21961 |
◊ |
D |
-x,y-1/2,-z+1 |
2_546 |
84 |
17 |
21977 |
736.5 |
-11.1 |
0.067 |
5 |
0 |
0 |
0.024 |
Average: |
742.4 |
-11.2 |
0.069 |
4 |
0 |
0 |
0.024 |
3 |
5 |
|
[HEM]A:500 |
41 |
1 |
835 |
f |
A |
x,y,z |
1_555 |
86 |
33 |
21961 |
579.7 |
-21.8 |
0.292 |
9 |
0 |
0 |
0.118 |
6 |
|
[HEM]C:500 |
43 |
1 |
840 |
f |
C |
x,y,z |
1_555 |
86 |
33 |
21945 |
574.2 |
-21.0 |
0.367 |
10 |
0 |
0 |
0.118 |
7 |
|
[HEM]D:500 |
43 |
1 |
832 |
f |
D |
x,y,z |
1_555 |
84 |
32 |
21977 |
572.9 |
-20.1 |
0.442 |
7 |
0 |
0 |
0.118 |
8 |
|
[HEM]B:500 |
42 |
1 |
830 |
f |
B |
x,y,z |
1_555 |
83 |
32 |
21996 |
566.8 |
-20.3 |
0.443 |
8 |
0 |
0 |
0.118 |
Average: |
573.4 |
-20.8 |
0.386 |
9 |
0 |
0 |
0.118 |
4 |
9 |
|
[HC9]B:501 |
25 |
1 |
633 |
f |
B |
x,y,z |
1_555 |
61 |
24 |
21996 |
443.1 |
1.1 |
0.216 |
0 |
0 |
0 |
0.000 |
5 |
10 |
|
[HC9]A:501 |
26 |
1 |
631 |
f |
A |
x,y,z |
1_555 |
60 |
26 |
21961 |
438.7 |
1.2 |
0.181 |
0 |
0 |
0 |
0.000 |
11 |
|
[HC9]C:501 |
26 |
1 |
638 |
f |
C |
x,y,z |
1_555 |
57 |
25 |
21945 |
434.0 |
1.2 |
0.157 |
0 |
0 |
0 |
0.000 |
12 |
|
[HC9]D:501 |
25 |
1 |
630 |
f |
D |
x,y,z |
1_555 |
59 |
25 |
21977 |
432.2 |
1.2 |
0.196 |
0 |
0 |
0 |
0.000 |
Average: |
435.0 |
1.2 |
0.178 |
0 |
0 |
0 |
0.000 |
6 |
13 |
|
A |
30 |
7 |
21961 |
◊ |
D |
-x,y-1/2,-z |
2_545 |
30 |
9 |
21977 |
271.0 |
0.4 |
0.549 |
2 |
0 |
0 |
0.000 |
14 |
|
B |
31 |
11 |
21996 |
◊ |
C |
-x+1,y-1/2,-z |
2_645 |
29 |
11 |
21945 |
246.8 |
2.7 |
0.714 |
1 |
0 |
0 |
0.000 |
Average: |
258.9 |
1.6 |
0.631 |
2 |
0 |
0 |
0.000 |
7 |
15 |
|
C |
21 |
7 |
21945 |
◊ |
D |
-x,y-1/2,-z+1 |
2_546 |
26 |
8 |
21977 |
219.4 |
-1.7 |
0.422 |
0 |
0 |
0 |
0.000 |
16 |
|
B |
21 |
7 |
21996 |
◊ |
A |
-x,y-1/2,-z |
2_545 |
26 |
8 |
21961 |
218.2 |
0.1 |
0.587 |
1 |
0 |
0 |
0.000 |
17 |
|
B |
23 |
7 |
21996 |
◊ |
A |
-x+1,y-1/2,-z |
2_645 |
21 |
7 |
21961 |
216.9 |
-2.8 |
0.272 |
1 |
0 |
0 |
0.000 |
18 |
|
C |
22 |
9 |
21945 |
◊ |
D |
-x+1,y-1/2,-z+1 |
2_646 |
28 |
10 |
21977 |
214.2 |
1.3 |
0.737 |
1 |
1 |
0 |
0.000 |
Average: |
217.2 |
-0.8 |
0.504 |
1 |
0 |
0 |
0.000 |
8 |
19 |
|
C |
27 |
6 |
21945 |
◊ |
D |
x,y-1,z |
1_545 |
25 |
8 |
21977 |
218.2 |
-0.7 |
0.564 |
4 |
0 |
0 |
0.000 |
20 |
|
B |
22 |
6 |
21996 |
◊ |
A |
x,y-1,z |
1_545 |
23 |
6 |
21961 |
206.5 |
-0.9 |
0.540 |
1 |
0 |
0 |
0.000 |
Average: |
212.3 |
-0.8 |
0.552 |
3 |
0 |
0 |
0.000 |
9 |
21 |
|
C |
15 |
6 |
21945 |
x |
C |
-x+1,y-1/2,-z+1 |
2_646 |
18 |
6 |
21945 |
141.8 |
-2.7 |
0.155 |
0 |
0 |
0 |
0.000 |
22 |
|
A |
18 |
6 |
21961 |
x |
A |
-x,y-1/2,-z |
2_545 |
11 |
4 |
21961 |
136.2 |
-1.0 |
0.446 |
2 |
0 |
0 |
0.000 |
Average: |
139.0 |
-1.9 |
0.301 |
1 |
0 |
0 |
0.000 |
10 |
23 |
|
A |
14 |
4 |
21961 |
◊ |
C |
x,y,z-1 |
1_554 |
18 |
4 |
21945 |
137.4 |
1.9 |
0.840 |
0 |
0 |
0 |
0.000 |
24 |
|
C |
16 |
5 |
21945 |
◊ |
A |
x,y,z |
1_555 |
19 |
5 |
21961 |
130.3 |
1.7 |
0.828 |
0 |
0 |
0 |
0.000 |
Average: |
133.8 |
1.8 |
0.834 |
0 |
0 |
0 |
0.000 |
11 |
25 |
|
[IPA]A:502 |
4 |
1 |
199 |
f |
A |
x,y,z |
1_555 |
25 |
11 |
21961 |
131.1 |
4.9 |
0.593 |
1 |
0 |
0 |
0.000 |
12 |
26 |
|
[IPA]D:502 |
4 |
1 |
199 |
f |
D |
x,y,z |
1_555 |
23 |
13 |
21977 |
129.0 |
5.2 |
0.633 |
2 |
0 |
0 |
0.000 |
13 |
27 |
|
[IPA]C:502 |
4 |
1 |
198 |
f |
C |
x,y,z |
1_555 |
26 |
12 |
21945 |
126.5 |
5.2 |
0.629 |
2 |
0 |
0 |
0.000 |
14 |
28 |
|
[IPA]B:502 |
4 |
1 |
198 |
f |
B |
x,y,z |
1_555 |
20 |
11 |
21996 |
122.3 |
5.2 |
0.636 |
2 |
0 |
0 |
0.000 |
15 |
29 |
|
[HC9]B:501 |
12 |
1 |
633 |
f |
[HEM]B:500 |
x,y,z |
1_555 |
23 |
1 |
830 |
115.2 |
-2.7 |
0.270 |
0 |
0 |
0 |
0.013 |
16 |
30 |
|
B |
15 |
6 |
21996 |
◊ |
D |
x,y-1,z |
1_545 |
12 |
4 |
21977 |
110.5 |
3.1 |
0.935 |
2 |
1 |
0 |
0.000 |
31 |
|
B |
12 |
5 |
21996 |
◊ |
D |
x,y-1,z-1 |
1_544 |
15 |
4 |
21977 |
108.3 |
2.5 |
0.899 |
0 |
0 |
0 |
0.000 |
Average: |
109.4 |
2.8 |
0.917 |
1 |
1 |
0 |
0.000 |
17 |
32 |
|
[HC9]D:501 |
10 |
1 |
630 |
f |
[HEM]D:500 |
x,y,z |
1_555 |
21 |
1 |
832 |
109.2 |
-2.0 |
0.405 |
0 |
0 |
0 |
0.010 |
33 |
|
[HC9]C:501 |
11 |
1 |
638 |
f |
[HEM]C:500 |
x,y,z |
1_555 |
21 |
1 |
840 |
108.6 |
-1.7 |
0.400 |
0 |
0 |
0 |
0.010 |
34 |
|
[HC9]A:501 |
11 |
1 |
631 |
f |
[HEM]A:500 |
x,y,z |
1_555 |
24 |
1 |
835 |
106.5 |
-1.7 |
0.384 |
0 |
0 |
0 |
0.010 |
Average: |
108.1 |
-1.8 |
0.396 |
0 |
0 |
0 |
0.010 |
18 |
35 |
|
D |
5 |
2 |
21977 |
x |
D |
-x,y-1/2,-z+1 |
2_546 |
2 |
1 |
21977 |
25.4 |
-0.4 |
0.309 |
0 |
0 |
0 |
0.000 |
36 |
|
B |
2 |
1 |
21996 |
x |
B |
-x+1,y-1/2,-z |
2_645 |
4 |
1 |
21996 |
20.8 |
-0.2 |
0.364 |
0 |
0 |
0 |
0.000 |
Average: |
23.1 |
-0.3 |
0.336 |
0 |
0 |
0 |
0.000 |
19 |
37 |
|
A |
4 |
2 |
21961 |
◊ |
D |
x,y-1,z |
1_545 |
3 |
1 |
21977 |
18.5 |
-0.2 |
0.460 |
0 |
0 |
0 |
0.000 |
|