| ## |
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 |
|
B |
206 |
58 |
19951 |
◊ |
B |
-x+2,-x+y+1,-z+5/3 |
9_766 |
206 |
58 |
19951 |
2087.4 |
-24.2 |
0.052 |
24 |
14 |
0 |
0.306 |
2 |
|
A |
208 |
58 |
19971 |
◊ |
A |
-x+y+1,y,-z+1/2 |
11_655 |
207 |
58 |
19971 |
2063.4 |
-27.9 |
0.023 |
24 |
18 |
0 |
0.306 |
| Average: |
2075.4 |
-26.0 |
0.038 |
24 |
16 |
0 |
0.306 |
| 2 |
3 |
|
[HEM]B:901 |
42 |
1 |
815 |
f |
B |
x,y,z |
1_555 |
80 |
25 |
19951 |
540.8 |
-19.0 |
0.280 |
1 |
0 |
0 |
0.321 |
4 |
|
[HEM]A:901 |
42 |
1 |
809 |
f |
A |
x,y,z |
1_555 |
82 |
25 |
19971 |
521.7 |
-18.0 |
0.299 |
1 |
0 |
0 |
0.321 |
| Average: |
531.2 |
-18.5 |
0.289 |
1 |
0 |
0 |
0.321 |
| 3 |
5 |
|
A |
47 |
13 |
19971 |
◊ |
A |
-x+2,-x+y+1,-z+2/3 |
9_765 |
47 |
13 |
19971 |
456.5 |
-3.0 |
0.468 |
4 |
0 |
0 |
0.000 |
6 |
|
B |
46 |
13 |
19951 |
◊ |
B |
-x+y+1,y,-z+3/2 |
11_656 |
47 |
13 |
19951 |
444.9 |
-2.9 |
0.461 |
4 |
0 |
0 |
0.000 |
| Average: |
450.7 |
-2.9 |
0.465 |
4 |
0 |
0 |
0.000 |
| 4 |
7 |
|
B |
32 |
12 |
19951 |
◊ |
A |
x,x-y,-z+7/6 |
12_556 |
36 |
9 |
19971 |
286.5 |
-4.0 |
0.242 |
2 |
0 |
0 |
0.000 |
| 5 |
8 |
|
[AT2]A:906 |
19 |
1 |
481 |
f |
A |
x,y,z |
1_555 |
43 |
17 |
19971 |
267.9 |
3.3 |
0.486 |
3 |
0 |
0 |
0.000 |
9 |
|
[AT2]B:907 |
19 |
1 |
483 |
f |
B |
x,y,z |
1_555 |
45 |
17 |
19951 |
266.7 |
3.2 |
0.484 |
3 |
0 |
0 |
0.000 |
| Average: |
267.3 |
3.3 |
0.485 |
3 |
0 |
0 |
0.000 |
| 6 |
10 |
|
[H4B]B:952 |
17 |
1 |
399 |
f |
B |
x,y,z |
1_555 |
27 |
9 |
19951 |
188.5 |
1.2 |
0.415 |
2 |
0 |
0 |
0.000 |
11 |
|
[H4B]A:902 |
17 |
1 |
399 |
f |
A |
x,y,z |
1_555 |
27 |
9 |
19971 |
185.9 |
1.3 |
0.441 |
2 |
0 |
0 |
0.000 |
| Average: |
187.2 |
1.3 |
0.428 |
2 |
0 |
0 |
0.000 |
| 7 |
12 |
|
[BOG]B:979 |
18 |
1 |
522 |
f |
B |
x,y,z |
1_555 |
20 |
9 |
19951 |
182.5 |
0.2 |
0.039 |
1 |
0 |
0 |
0.005 |
| 8 |
13 |
|
B |
21 |
7 |
19951 |
◊ |
A |
x,y,z |
1_555 |
22 |
7 |
19971 |
168.4 |
-3.5 |
0.190 |
0 |
0 |
0 |
0.000 |
| 9 |
14 |
|
[SO4]A:982 |
5 |
1 |
187 |
f |
A |
x,y,z |
1_555 |
15 |
8 |
19971 |
113.7 |
-16.2 |
0.846 |
3 |
0 |
0 |
0.221 |
| 10 |
15 |
|
[AT2]B:907 |
11 |
1 |
483 |
f |
[HEM]B:901 |
x,y,z |
1_555 |
29 |
1 |
815 |
108.7 |
0.7 |
0.706 |
0 |
0 |
0 |
0.000 |
16 |
|
[AT2]A:906 |
11 |
1 |
481 |
f |
[HEM]A:901 |
x,y,z |
1_555 |
31 |
1 |
809 |
106.5 |
0.7 |
0.706 |
0 |
0 |
0 |
0.000 |
| Average: |
107.6 |
0.7 |
0.706 |
0 |
0 |
0 |
0.000 |
| 11 |
17 |
|
[H4B]B:952 |
13 |
1 |
399 |
◊ |
B |
-x+2,-x+y+1,-z+5/3 |
9_766 |
21 |
6 |
19951 |
107.3 |
-0.1 |
0.263 |
1 |
0 |
0 |
0.009 |
18 |
|
[H4B]A:902 |
12 |
1 |
399 |
◊ |
A |
-x+y+1,y,-z+1/2 |
11_655 |
21 |
6 |
19971 |
106.6 |
-0.2 |
0.266 |
1 |
0 |
0 |
0.009 |
| Average: |
107.0 |
-0.2 |
0.265 |
1 |
0 |
0 |
0.009 |
| 12 |
19 |
|
[EDO]A:976 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
20 |
9 |
19971 |
105.1 |
2.5 |
0.538 |
3 |
0 |
0 |
0.000 |
| 13 |
20 |
|
[BOG]B:979 |
7 |
1 |
522 |
◊ |
A |
x,x-y,-z+7/6 |
12_556 |
8 |
6 |
19971 |
84.9 |
2.7 |
0.511 |
0 |
0 |
0 |
0.000 |
| 14 |
21 |
|
[SO4]A:980 |
5 |
1 |
188 |
f |
A |
x,y,z |
1_555 |
9 |
4 |
19971 |
82.4 |
-11.4 |
0.832 |
3 |
0 |
0 |
0.160 |
| 15 |
22 |
|
[GOL]A:975 |
5 |
1 |
220 |
f |
A |
x,y,z |
1_555 |
11 |
5 |
19971 |
80.0 |
-0.6 |
0.490 |
2 |
0 |
0 |
0.019 |
| 16 |
23 |
|
[SO4]B:984 |
5 |
1 |
189 |
f |
B |
x,y,z |
1_555 |
10 |
4 |
19951 |
78.9 |
-10.9 |
0.849 |
2 |
0 |
0 |
0.195 |
| 17 |
24 |
|
[SO4]A:981 |
5 |
1 |
189 |
f |
A |
x,y,z |
1_555 |
11 |
5 |
19971 |
76.1 |
-8.8 |
0.947 |
4 |
0 |
0 |
0.134 |
| 18 |
25 |
|
[SO4]B:983 |
4 |
1 |
188 |
f |
B |
x,y,z |
1_555 |
8 |
4 |
19951 |
75.7 |
-9.0 |
0.936 |
4 |
0 |
0 |
0.179 |
| 19 |
26 |
|
[EDO]B:978 |
4 |
1 |
182 |
f |
B |
x,y,z |
1_555 |
13 |
7 |
19951 |
66.7 |
2.8 |
0.331 |
0 |
0 |
0 |
0.000 |
| 20 |
27 |
|
[EDO]A:977 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
15 |
8 |
19971 |
66.3 |
2.6 |
0.329 |
0 |
0 |
0 |
0.000 |
| 21 |
28 |
|
[NO]B:953 |
2 |
1 |
127 |
f |
B |
x,y,z |
1_555 |
9 |
3 |
19951 |
49.1 |
-1.4 |
0.697 |
2 |
0 |
0 |
0.037 |
| 22 |
29 |
|
[NO]A:903 |
2 |
1 |
127 |
f |
A |
x,y,z |
1_555 |
9 |
3 |
19971 |
48.2 |
-1.3 |
0.711 |
2 |
0 |
0 |
0.028 |
| 23 |
30 |
|
A |
5 |
2 |
19971 |
◊ |
B |
x,y,z-1 |
1_554 |
6 |
3 |
19951 |
48.0 |
1.3 |
0.868 |
0 |
0 |
0 |
0.000 |
| 24 |
31 |
|
A |
5 |
1 |
19971 |
◊ |
A |
x,x-y,-z+1/6 |
12_555 |
5 |
1 |
19971 |
42.5 |
0.2 |
0.699 |
0 |
0 |
0 |
0.000 |
| 25 |
32 |
|
[EDO]A:977 |
3 |
1 |
185 |
f |
[AT2]A:906 |
x,y,z |
1_555 |
4 |
1 |
481 |
39.4 |
1.6 |
0.216 |
0 |
0 |
0 |
0.000 |
| 26 |
33 |
|
[EDO]B:978 |
3 |
1 |
182 |
f |
[AT2]B:907 |
x,y,z |
1_555 |
4 |
1 |
483 |
39.2 |
1.4 |
0.588 |
0 |
0 |
0 |
0.000 |
| 27 |
34 |
|
[H4B]B:952 |
3 |
1 |
399 |
f |
[HEM]B:901 |
x,y,z |
1_555 |
5 |
1 |
815 |
38.3 |
-1.4 |
0.445 |
1 |
0 |
0 |
0.031 |
35 |
|
[H4B]A:902 |
3 |
1 |
399 |
f |
[HEM]A:901 |
x,y,z |
1_555 |
5 |
1 |
809 |
37.7 |
-1.3 |
0.445 |
2 |
0 |
0 |
0.031 |
| Average: |
38.0 |
-1.4 |
0.445 |
2 |
0 |
0 |
0.031 |
| 28 |
36 |
|
[EDO]A:976 |
3 |
1 |
184 |
f |
[HEM]A:901 |
x,y,z |
1_555 |
5 |
1 |
809 |
38.0 |
0.4 |
0.960 |
0 |
0 |
0 |
0.000 |
| 29 |
37 |
|
[NO]A:903 |
2 |
1 |
127 |
cf |
[H4B]A:902 |
x,y,z |
1_555 |
7 |
1 |
399 |
37.2 |
-0.3 |
0.405 |
0 |
0 |
0 |
0.004 |
| 30 |
38 |
|
[NO]B:953 |
2 |
1 |
127 |
cf |
[H4B]B:952 |
x,y,z |
1_555 |
7 |
1 |
399 |
37.1 |
-0.3 |
0.405 |
0 |
0 |
0 |
0.005 |
| 31 |
39 |
|
[EDO]A:977 |
3 |
1 |
185 |
f |
[HEM]A:901 |
x,y,z |
1_555 |
3 |
1 |
809 |
28.9 |
-0.3 |
0.656 |
0 |
0 |
0 |
0.004 |
| 32 |
40 |
|
[EDO]B:978 |
3 |
1 |
182 |
f |
[HEM]B:901 |
x,y,z |
1_555 |
3 |
1 |
815 |
28.8 |
-0.4 |
0.668 |
0 |
0 |
0 |
0.007 |
| 33 |
41 |
|
[NO]B:953 |
2 |
1 |
127 |
◊ |
B |
-x+2,-x+y+1,-z+5/3 |
9_766 |
8 |
3 |
19951 |
27.6 |
-0.7 |
0.610 |
0 |
0 |
0 |
0.012 |
| 34 |
42 |
|
[NO]A:903 |
2 |
1 |
127 |
◊ |
A |
-x+y+1,y,-z+1/2 |
11_655 |
6 |
3 |
19971 |
26.7 |
-0.9 |
0.468 |
0 |
0 |
0 |
0.012 |
| 35 |
43 |
|
[EDO]A:977 |
4 |
1 |
185 |
f |
[H4B]A:902 |
x,y,z |
1_555 |
3 |
1 |
399 |
22.6 |
0.7 |
0.486 |
0 |
0 |
0 |
0.000 |
| 36 |
44 |
|
[EDO]B:978 |
3 |
1 |
182 |
f |
[H4B]B:952 |
x,y,z |
1_555 |
3 |
1 |
399 |
21.1 |
0.6 |
0.486 |
0 |
0 |
0 |
0.000 |
| 37 |
45 |
|
[SO4]A:981 |
1 |
1 |
189 |
◊ |
A |
-x+y+1,y,-z+1/2 |
11_655 |
1 |
1 |
19971 |
9.7 |
-0.8 |
0.864 |
0 |
0 |
0 |
0.011 |
| 38 |
46 |
|
[EDO]A:977 |
2 |
1 |
185 |
f |
[NO]A:903 |
x,y,z |
1_555 |
2 |
1 |
127 |
9.7 |
-0.2 |
0.866 |
0 |
0 |
0 |
0.002 |
| 39 |
47 |
|
[EDO]B:978 |
2 |
1 |
182 |
f |
[NO]B:953 |
x,y,z |
1_555 |
1 |
1 |
127 |
9.1 |
-0.2 |
0.707 |
0 |
0 |
0 |
0.003 |
| 40 |
48 |
|
[SO4]B:983 |
1 |
1 |
188 |
◊ |
B |
-x+2,-x+y+1,-z+5/3 |
9_766 |
3 |
2 |
19951 |
8.8 |
-1.0 |
0.751 |
0 |
0 |
0 |
0.017 |
|