| ## |
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 |
627 |
155 |
33570 |
◊ |
C |
x,y,z |
1_555 |
598 |
148 |
32160 |
5648.8 |
-32.5 |
0.415 |
79 |
27 |
0 |
0.657 |
2 |
|
B |
609 |
153 |
31692 |
◊ |
A |
x,y,z |
1_555 |
601 |
150 |
31578 |
5553.1 |
-30.1 |
0.357 |
81 |
33 |
0 |
0.657 |
| Average: |
5600.9 |
-31.3 |
0.386 |
80 |
30 |
0 |
0.657 |
| 2 |
3 |
|
B |
519 |
117 |
31692 |
◊ |
A |
-y,-x,-z+1/2 |
8_555 |
523 |
119 |
31578 |
4911.7 |
-48.2 |
0.024 |
64 |
19 |
0 |
0.694 |
| 3 |
4 |
|
D |
481 |
115 |
33570 |
◊ |
C |
-y,-x,-z-1/2 |
8_554 |
482 |
118 |
32160 |
4584.9 |
-38.0 |
0.135 |
48 |
11 |
0 |
0.644 |
| 4 |
5 |
|
B |
238 |
66 |
31692 |
◊ |
B |
-y,-x,-z+1/2 |
8_555 |
233 |
66 |
31692 |
2127.7 |
-24.9 |
0.033 |
28 |
0 |
0 |
0.521 |
6 |
|
A |
237 |
67 |
31578 |
◊ |
A |
-y,-x,-z+1/2 |
8_555 |
237 |
68 |
31578 |
2097.7 |
-24.2 |
0.040 |
28 |
0 |
0 |
0.521 |
7 |
|
C |
195 |
54 |
32160 |
◊ |
C |
-y,-x,-z-1/2 |
8_554 |
197 |
55 |
32160 |
1753.0 |
-17.9 |
0.144 |
24 |
0 |
0 |
0.521 |
| Average: |
1992.8 |
-22.4 |
0.072 |
27 |
0 |
0 |
0.521 |
| 5 |
8 |
|
D |
217 |
64 |
33570 |
◊ |
D |
-y,-x,-z-1/2 |
8_554 |
217 |
64 |
33570 |
1814.0 |
-20.0 |
0.123 |
12 |
0 |
0 |
0.414 |
| 6 |
9 |
|
C |
70 |
27 |
32160 |
◊ |
B |
x,y,z |
1_555 |
69 |
21 |
31692 |
640.2 |
1.9 |
0.839 |
6 |
1 |
0 |
0.000 |
| 7 |
10 |
|
[HEM]D:4000 |
43 |
1 |
817 |
f |
D |
x,y,z |
1_555 |
89 |
30 |
33570 |
577.8 |
-15.7 |
0.703 |
5 |
0 |
0 |
0.586 |
| 8 |
11 |
|
[HEM]C:4000 |
43 |
1 |
803 |
f |
C |
x,y,z |
1_555 |
92 |
29 |
32160 |
572.2 |
-15.3 |
0.709 |
1 |
0 |
0 |
0.524 |
12 |
|
[HEM]A:4000 |
43 |
1 |
809 |
f |
A |
x,y,z |
1_555 |
90 |
27 |
31578 |
569.0 |
-15.0 |
0.680 |
4 |
0 |
0 |
0.524 |
13 |
|
[HEM]B:4000 |
43 |
1 |
809 |
f |
B |
x,y,z |
1_555 |
89 |
28 |
31692 |
565.4 |
-16.4 |
0.664 |
4 |
0 |
0 |
0.524 |
| Average: |
568.9 |
-15.6 |
0.684 |
3 |
0 |
0 |
0.524 |
| 9 |
14 |
|
C |
63 |
19 |
32160 |
◊ |
A |
-y,-x,-z+1/2 |
8_555 |
72 |
26 |
31578 |
535.1 |
-1.8 |
0.566 |
2 |
0 |
0 |
0.000 |
| 10 |
15 |
|
B |
49 |
13 |
31692 |
◊ |
A |
-y-1/2,x-1/2,z-1/4 |
3_444 |
43 |
17 |
31578 |
412.6 |
-1.5 |
0.572 |
3 |
1 |
0 |
0.000 |
| 11 |
16 |
|
A |
35 |
11 |
31578 |
◊ |
C |
-y-1/2,x-1/2,z+3/4 |
3_445 |
32 |
9 |
32160 |
330.2 |
0.1 |
0.668 |
9 |
1 |
0 |
0.000 |
| 12 |
17 |
|
C |
27 |
8 |
32160 |
◊ |
A |
x,y,z |
1_555 |
28 |
11 |
31578 |
260.6 |
2.2 |
0.859 |
3 |
0 |
0 |
0.000 |
| 13 |
18 |
|
B |
21 |
8 |
31692 |
◊ |
C |
-y-1/2,x-1/2,z+3/4 |
3_445 |
25 |
9 |
32160 |
245.8 |
0.8 |
0.758 |
0 |
0 |
0 |
0.000 |
| 14 |
19 |
|
D |
23 |
8 |
33570 |
◊ |
B |
x,y,z |
1_555 |
28 |
9 |
31692 |
243.7 |
3.7 |
0.935 |
4 |
1 |
0 |
0.000 |
| 15 |
20 |
|
A |
31 |
10 |
31578 |
◊ |
D |
-y-1/2,x-1/2,z+3/4 |
3_445 |
25 |
10 |
33570 |
208.4 |
-2.0 |
0.447 |
1 |
0 |
0 |
0.000 |
| 16 |
21 |
|
D |
22 |
10 |
33570 |
◊ |
A |
-y-1/2,x-1/2,z-1/4 |
3_444 |
18 |
6 |
31578 |
201.0 |
0.9 |
0.768 |
1 |
0 |
0 |
0.000 |
| 17 |
22 |
|
D |
16 |
10 |
33570 |
◊ |
C |
-y-1/2,x-1/2,z-1/4 |
3_444 |
10 |
5 |
32160 |
102.2 |
1.6 |
0.799 |
1 |
0 |
0 |
0.000 |
| 18 |
23 |
|
[HEM]A:4000 |
8 |
1 |
809 |
◊ |
B |
x,y,z |
1_555 |
10 |
4 |
31692 |
72.7 |
-2.0 |
0.440 |
0 |
0 |
0 |
0.037 |
24 |
|
[HEM]B:4000 |
7 |
1 |
809 |
◊ |
A |
x,y,z |
1_555 |
9 |
4 |
31578 |
72.6 |
-2.0 |
0.406 |
0 |
0 |
0 |
0.037 |
25 |
|
[HEM]C:4000 |
5 |
1 |
803 |
◊ |
D |
x,y,z |
1_555 |
10 |
4 |
33570 |
66.9 |
-1.9 |
0.434 |
0 |
0 |
0 |
0.037 |
| Average: |
70.8 |
-2.0 |
0.426 |
0 |
0 |
0 |
0.037 |
| 19 |
26 |
|
[HEM]D:4000 |
3 |
1 |
817 |
◊ |
C |
x,y,z |
1_555 |
9 |
3 |
32160 |
66.8 |
-1.8 |
0.355 |
0 |
0 |
0 |
0.016 |
| 20 |
27 |
|
D |
4 |
1 |
33570 |
◊ |
A |
x,y,z-1 |
1_554 |
6 |
1 |
31578 |
35.7 |
-0.7 |
0.355 |
0 |
0 |
0 |
0.000 |
| 21 |
28 |
|
D |
3 |
1 |
33570 |
◊ |
B |
-y-1/2,x-1/2,z-1/4 |
3_444 |
5 |
3 |
31692 |
28.9 |
0.6 |
0.822 |
0 |
0 |
0 |
0.000 |
| 22 |
29 |
|
D |
1 |
1 |
33570 |
◊ |
B |
-y,-x,-z-1/2 |
8_554 |
3 |
2 |
31692 |
16.2 |
0.6 |
0.763 |
0 |
0 |
0 |
0.000 |
| 23 |
30 |
|
C |
2 |
1 |
32160 |
◊ |
A |
-y-1/2,x-1/2,z-1/4 |
3_444 |
3 |
1 |
31578 |
11.5 |
0.2 |
0.617 |
0 |
0 |
0 |
0.000 |
| 24 |
31 |
|
D |
4 |
2 |
33570 |
x |
D |
-y-1/2,x-1/2,z-1/4 |
3_444 |
2 |
1 |
33570 |
9.3 |
0.3 |
0.735 |
0 |
0 |
0 |
0.000 |
|