## |
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 |
|
[HEM]D:500 |
43 |
1 |
846 |
f |
D |
x,y,z |
1_555 |
93 |
34 |
17895 |
618.3 |
-23.3 |
0.245 |
6 |
0 |
0 |
0.128 |
2 |
|
[HEM]B:500 |
43 |
1 |
840 |
f |
B |
x,y,z |
1_555 |
95 |
32 |
17858 |
617.7 |
-25.7 |
0.087 |
7 |
0 |
0 |
0.128 |
3 |
|
[HEM]A:500 |
43 |
1 |
841 |
f |
A |
x,y,z |
1_555 |
89 |
33 |
18142 |
612.0 |
-24.3 |
0.140 |
6 |
0 |
0 |
0.128 |
4 |
|
[HEM]C:500 |
43 |
1 |
845 |
f |
C |
x,y,z |
1_555 |
88 |
33 |
17914 |
610.5 |
-23.5 |
0.193 |
6 |
0 |
0 |
0.128 |
Average: |
614.6 |
-24.2 |
0.166 |
6 |
0 |
0 |
0.128 |
2 |
5 |
|
C |
50 |
14 |
17914 |
◊ |
D |
-x,y-1/2,-z |
2_545 |
47 |
15 |
17895 |
439.9 |
2.3 |
0.673 |
9 |
11 |
0 |
0.000 |
6 |
|
B |
43 |
12 |
17858 |
◊ |
A |
-x-1,y-1/2,-z+1 |
2_446 |
51 |
15 |
18142 |
406.7 |
1.2 |
0.676 |
8 |
5 |
0 |
0.000 |
7 |
|
D |
33 |
11 |
17895 |
◊ |
C |
-x,y-1/2,-z |
2_545 |
34 |
10 |
17914 |
306.0 |
1.4 |
0.692 |
1 |
5 |
0 |
0.000 |
8 |
|
A |
18 |
5 |
18142 |
◊ |
B |
-x-1,y-1/2,-z+1 |
2_446 |
23 |
8 |
17858 |
156.3 |
1.1 |
0.622 |
1 |
3 |
0 |
0.000 |
Average: |
327.2 |
1.5 |
0.666 |
5 |
6 |
0 |
0.000 |
3 |
9 |
|
B |
43 |
10 |
17858 |
◊ |
D |
x-1,y,z |
1_455 |
43 |
11 |
17895 |
409.2 |
-1.4 |
0.425 |
5 |
9 |
0 |
0.000 |
10 |
|
B |
43 |
12 |
17858 |
◊ |
C |
x-1,y,z |
1_455 |
43 |
10 |
17914 |
384.4 |
-1.0 |
0.488 |
6 |
8 |
0 |
0.000 |
11 |
|
A |
40 |
10 |
18142 |
◊ |
D |
x-1,y,z |
1_455 |
40 |
10 |
17895 |
376.3 |
-1.3 |
0.416 |
4 |
8 |
0 |
0.000 |
12 |
|
C |
43 |
11 |
17914 |
◊ |
A |
x,y,z |
1_555 |
42 |
10 |
18142 |
372.6 |
-0.9 |
0.472 |
4 |
8 |
0 |
0.000 |
Average: |
385.7 |
-1.1 |
0.450 |
5 |
8 |
0 |
0.000 |
4 |
13 |
|
D |
42 |
12 |
17895 |
◊ |
C |
x,y,z |
1_555 |
38 |
12 |
17914 |
397.9 |
3.9 |
0.838 |
5 |
5 |
0 |
0.000 |
14 |
|
B |
42 |
15 |
17858 |
◊ |
A |
x,y,z |
1_555 |
47 |
13 |
18142 |
387.5 |
3.4 |
0.821 |
8 |
4 |
0 |
0.000 |
15 |
|
C |
51 |
15 |
17914 |
◊ |
D |
x-1,y,z |
1_455 |
43 |
14 |
17895 |
386.7 |
5.2 |
0.832 |
4 |
5 |
0 |
0.000 |
16 |
|
B |
43 |
13 |
17858 |
◊ |
A |
x-1,y,z |
1_455 |
36 |
13 |
18142 |
352.3 |
3.9 |
0.782 |
4 |
3 |
0 |
0.000 |
Average: |
381.1 |
4.1 |
0.818 |
5 |
4 |
0 |
0.000 |
5 |
17 |
|
B |
43 |
12 |
17858 |
x |
B |
-x-1,y-1/2,-z+1 |
2_446 |
44 |
12 |
17858 |
372.7 |
2.5 |
0.767 |
6 |
4 |
0 |
0.000 |
18 |
|
D |
45 |
10 |
17895 |
x |
D |
-x+1,y-1/2,-z |
2_645 |
39 |
10 |
17895 |
349.8 |
1.6 |
0.695 |
7 |
5 |
0 |
0.000 |
19 |
|
C |
38 |
11 |
17914 |
x |
C |
-x,y-1/2,-z |
2_545 |
35 |
9 |
17914 |
326.2 |
1.8 |
0.743 |
5 |
4 |
0 |
0.000 |
20 |
|
A |
27 |
8 |
18142 |
x |
A |
-x,y-1/2,-z+1 |
2_546 |
38 |
10 |
18142 |
304.9 |
0.5 |
0.613 |
3 |
3 |
0 |
0.000 |
Average: |
338.4 |
1.6 |
0.704 |
5 |
4 |
0 |
0.000 |
6 |
21 |
|
[EDO]D:1201 |
4 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
14 |
8 |
17895 |
115.2 |
1.4 |
0.241 |
0 |
0 |
0 |
0.000 |
7 |
22 |
|
[EDO]B:1206 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
20 |
11 |
17858 |
112.7 |
3.9 |
0.643 |
4 |
0 |
0 |
0.000 |
8 |
23 |
|
[IMD]B:501 |
5 |
1 |
196 |
f |
B |
x,y,z |
1_555 |
16 |
8 |
17858 |
107.2 |
2.1 |
0.242 |
1 |
0 |
0 |
0.000 |
24 |
|
[IMD]A:501 |
5 |
1 |
197 |
f |
A |
x,y,z |
1_555 |
18 |
8 |
18142 |
105.9 |
1.8 |
0.217 |
1 |
0 |
0 |
0.000 |
25 |
|
[IMD]D:501 |
5 |
1 |
196 |
f |
D |
x,y,z |
1_555 |
16 |
8 |
17895 |
102.4 |
1.2 |
0.138 |
1 |
0 |
0 |
0.000 |
Average: |
105.2 |
1.7 |
0.199 |
1 |
0 |
0 |
0.000 |
9 |
26 |
|
[IMD]C:501 |
5 |
1 |
197 |
f |
C |
x,y,z |
1_555 |
15 |
8 |
17914 |
105.9 |
1.8 |
0.172 |
1 |
0 |
0 |
0.000 |
10 |
27 |
|
[EDO]C:1207 |
4 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
16 |
7 |
17914 |
101.1 |
2.1 |
0.374 |
1 |
0 |
0 |
0.000 |
11 |
28 |
|
[EDO]A:1202 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
15 |
6 |
18142 |
100.5 |
2.3 |
0.376 |
3 |
0 |
0 |
0.000 |
12 |
29 |
|
[EDO]B:1205 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
12 |
6 |
17858 |
97.0 |
2.1 |
0.322 |
1 |
0 |
0 |
0.000 |
13 |
30 |
|
[EDO]A:1203 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
12 |
7 |
18142 |
85.7 |
1.7 |
0.221 |
1 |
0 |
0 |
0.000 |
14 |
31 |
|
[EDO]B:1209 |
4 |
1 |
186 |
◊ |
B |
x,y,z |
1_555 |
12 |
4 |
17858 |
81.4 |
2.8 |
0.494 |
1 |
0 |
0 |
0.000 |
15 |
32 |
|
[EDO]B:1209 |
4 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
10 |
5 |
18142 |
72.9 |
1.9 |
0.803 |
0 |
0 |
0 |
0.000 |
16 |
33 |
|
[EDO]D:1208 |
4 |
1 |
183 |
◊ |
D |
x,y,z |
1_555 |
11 |
5 |
17895 |
70.9 |
1.5 |
0.642 |
1 |
0 |
0 |
0.000 |
17 |
34 |
|
[EDO]B:1204 |
3 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
10 |
3 |
17858 |
61.0 |
1.1 |
0.220 |
2 |
0 |
0 |
0.000 |
18 |
35 |
|
[IMD]C:501 |
3 |
1 |
197 |
f |
[HEM]C:500 |
x,y,z |
1_555 |
24 |
1 |
845 |
60.3 |
0.3 |
0.593 |
0 |
0 |
0 |
0.000 |
19 |
36 |
|
[IMD]A:501 |
3 |
1 |
197 |
f |
[HEM]A:500 |
x,y,z |
1_555 |
24 |
1 |
841 |
60.0 |
0.3 |
0.593 |
0 |
0 |
0 |
0.000 |
37 |
|
[IMD]B:501 |
3 |
1 |
196 |
f |
[HEM]B:500 |
x,y,z |
1_555 |
24 |
1 |
840 |
59.9 |
0.4 |
0.593 |
0 |
0 |
0 |
0.000 |
38 |
|
[IMD]D:501 |
3 |
1 |
196 |
f |
[HEM]D:500 |
x,y,z |
1_555 |
24 |
1 |
846 |
56.9 |
0.1 |
0.529 |
0 |
0 |
0 |
0.000 |
Average: |
58.9 |
0.3 |
0.572 |
0 |
0 |
0 |
0.000 |
20 |
39 |
|
[EDO]D:1208 |
3 |
1 |
183 |
f |
D |
-x+1,y-1/2,-z |
2_645 |
2 |
1 |
17895 |
22.8 |
0.4 |
0.464 |
0 |
0 |
0 |
0.000 |
21 |
40 |
|
[EDO]A:1203 |
2 |
1 |
184 |
f |
[EDO]A:1202 |
x,y,z |
1_555 |
3 |
1 |
184 |
22.1 |
0.6 |
1.000 |
1 |
0 |
0 |
0.000 |
22 |
41 |
|
[EDO]D:1201 |
2 |
1 |
185 |
f |
[IMD]D:501 |
x,y,z |
1_555 |
2 |
1 |
196 |
15.7 |
0.7 |
0.400 |
0 |
0 |
0 |
0.000 |
|