## |
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 |
272 |
71 |
20381 |
◊ |
A |
x,y,z |
1_555 |
280 |
72 |
20696 |
2734.4 |
-37.2 |
0.019 |
42 |
9 |
0 |
0.526 |
2 |
|
D |
271 |
69 |
20383 |
◊ |
C |
x,y,z |
1_555 |
270 |
71 |
20694 |
2692.7 |
-36.2 |
0.018 |
42 |
10 |
0 |
0.526 |
Average: |
2713.5 |
-36.7 |
0.018 |
42 |
10 |
0 |
0.526 |
2 |
3 |
|
C |
92 |
24 |
20694 |
◊ |
A |
x,y,z |
1_555 |
96 |
25 |
20696 |
861.1 |
-13.9 |
0.083 |
6 |
4 |
0 |
0.245 |
3 |
4 |
|
[HEM]A:750 |
43 |
1 |
819 |
f |
A |
x,y,z |
1_555 |
84 |
25 |
20696 |
621.6 |
-21.7 |
0.360 |
2 |
0 |
0 |
0.644 |
5 |
|
[HEM]B:750 |
43 |
1 |
812 |
f |
B |
x,y,z |
1_555 |
83 |
25 |
20381 |
618.5 |
-21.6 |
0.342 |
2 |
0 |
0 |
0.644 |
6 |
|
[HEM]C:750 |
43 |
1 |
814 |
f |
C |
x,y,z |
1_555 |
83 |
25 |
20694 |
615.7 |
-21.7 |
0.335 |
2 |
0 |
0 |
0.644 |
7 |
|
[HEM]D:750 |
43 |
1 |
807 |
f |
D |
x,y,z |
1_555 |
85 |
25 |
20383 |
614.1 |
-21.4 |
0.346 |
1 |
0 |
0 |
0.644 |
Average: |
617.5 |
-21.6 |
0.346 |
2 |
0 |
0 |
0.644 |
4 |
8 |
|
D |
73 |
16 |
20383 |
◊ |
B |
x,y,z |
1_555 |
67 |
16 |
20381 |
559.4 |
-7.2 |
0.266 |
5 |
1 |
0 |
0.038 |
5 |
9 |
|
[H4B]C:760 |
17 |
1 |
396 |
f |
C |
x,y,z |
1_555 |
27 |
8 |
20694 |
209.5 |
2.1 |
0.467 |
2 |
0 |
0 |
0.000 |
10 |
|
[H4B]B:760 |
17 |
1 |
400 |
f |
B |
x,y,z |
1_555 |
29 |
8 |
20381 |
209.1 |
2.0 |
0.474 |
2 |
0 |
0 |
0.000 |
11 |
|
[H4B]D:760 |
17 |
1 |
398 |
f |
D |
x,y,z |
1_555 |
26 |
8 |
20383 |
207.0 |
1.9 |
0.449 |
2 |
0 |
0 |
0.000 |
12 |
|
[H4B]A:760 |
17 |
1 |
397 |
f |
A |
x,y,z |
1_555 |
27 |
8 |
20696 |
205.3 |
1.7 |
0.448 |
2 |
0 |
0 |
0.000 |
Average: |
207.7 |
1.9 |
0.460 |
2 |
0 |
0 |
0.000 |
6 |
13 |
|
B |
30 |
8 |
20381 |
◊ |
D |
x-1/2,y-1/2,z |
3_445 |
21 |
6 |
20383 |
184.0 |
-2.0 |
0.407 |
0 |
0 |
0 |
0.000 |
7 |
14 |
|
D |
20 |
6 |
20383 |
◊ |
A |
x,y,z |
1_555 |
20 |
7 |
20696 |
175.0 |
-1.6 |
0.448 |
0 |
1 |
0 |
0.014 |
15 |
|
C |
21 |
6 |
20694 |
◊ |
B |
x,y,z |
1_555 |
18 |
5 |
20381 |
168.3 |
-1.7 |
0.445 |
0 |
1 |
0 |
0.014 |
Average: |
171.6 |
-1.7 |
0.446 |
0 |
1 |
0 |
0.014 |
8 |
16 |
|
C |
17 |
4 |
20694 |
x |
C |
-x+5/2,y-1/2,-z |
4_745 |
29 |
7 |
20694 |
162.2 |
-1.7 |
0.466 |
0 |
0 |
0 |
0.000 |
9 |
17 |
|
A |
15 |
3 |
20696 |
x |
A |
-x+5/2,y-1/2,-z+1 |
4_746 |
28 |
7 |
20696 |
159.2 |
-2.4 |
0.332 |
0 |
0 |
0 |
0.000 |
10 |
18 |
|
B |
11 |
3 |
20381 |
◊ |
D |
x-1/2,y+1/2,z |
3_455 |
15 |
5 |
20383 |
132.3 |
-1.9 |
0.287 |
1 |
0 |
0 |
0.000 |
11 |
19 |
|
[GOL]C:881 |
6 |
1 |
218 |
f |
C |
x,y,z |
1_555 |
21 |
10 |
20694 |
131.1 |
0.2 |
0.632 |
3 |
0 |
0 |
0.017 |
12 |
20 |
|
[GOL]D:881 |
6 |
1 |
221 |
f |
D |
x,y,z |
1_555 |
18 |
8 |
20383 |
128.8 |
0.4 |
0.675 |
4 |
0 |
0 |
0.012 |
13 |
21 |
|
[H4B]A:760 |
14 |
1 |
397 |
◊ |
B |
x,y,z |
1_555 |
21 |
6 |
20381 |
121.1 |
-0.1 |
0.256 |
1 |
0 |
0 |
0.011 |
22 |
|
[H4B]C:760 |
13 |
1 |
396 |
◊ |
D |
x,y,z |
1_555 |
20 |
6 |
20383 |
119.7 |
-0.1 |
0.248 |
1 |
0 |
0 |
0.011 |
23 |
|
[H4B]D:760 |
13 |
1 |
398 |
◊ |
C |
x,y,z |
1_555 |
21 |
6 |
20694 |
119.5 |
-0.1 |
0.266 |
1 |
0 |
0 |
0.011 |
24 |
|
[H4B]B:760 |
13 |
1 |
400 |
◊ |
A |
x,y,z |
1_555 |
21 |
6 |
20696 |
118.7 |
-0.1 |
0.268 |
1 |
0 |
0 |
0.011 |
Average: |
119.7 |
-0.1 |
0.260 |
1 |
0 |
0 |
0.011 |
14 |
25 |
|
[GOL]C:880 |
6 |
1 |
218 |
f |
C |
x,y,z |
1_555 |
17 |
7 |
20694 |
114.1 |
0.7 |
0.726 |
7 |
0 |
0 |
0.052 |
26 |
|
[GOL]D:880 |
6 |
1 |
219 |
f |
D |
x,y,z |
1_555 |
18 |
7 |
20383 |
113.0 |
0.4 |
0.674 |
6 |
0 |
0 |
0.052 |
27 |
|
[GOL]A:880 |
6 |
1 |
218 |
f |
A |
x,y,z |
1_555 |
18 |
7 |
20696 |
112.0 |
0.5 |
0.691 |
4 |
0 |
0 |
0.052 |
28 |
|
[GOL]B:880 |
5 |
1 |
218 |
f |
B |
x,y,z |
1_555 |
18 |
7 |
20381 |
109.4 |
0.9 |
0.774 |
6 |
0 |
0 |
0.052 |
Average: |
112.1 |
0.6 |
0.716 |
6 |
0 |
0 |
0.052 |
15 |
29 |
|
[GOL]C:882 |
5 |
1 |
218 |
◊ |
C |
x,y,z |
1_555 |
14 |
5 |
20694 |
81.8 |
-0.2 |
0.565 |
0 |
0 |
0 |
0.000 |
16 |
30 |
|
C |
8 |
3 |
20694 |
f |
[GOL]C:882 |
-x+5/2,y-1/2,-z |
4_745 |
4 |
1 |
218 |
49.8 |
-0.3 |
0.544 |
0 |
0 |
0 |
0.005 |
17 |
31 |
|
[H4B]B:760 |
4 |
1 |
400 |
f |
[HEM]B:750 |
x,y,z |
1_555 |
5 |
1 |
812 |
44.3 |
-1.4 |
0.449 |
1 |
0 |
0 |
0.067 |
32 |
|
[H4B]D:760 |
4 |
1 |
398 |
f |
[HEM]D:750 |
x,y,z |
1_555 |
5 |
1 |
807 |
43.4 |
-1.4 |
0.451 |
2 |
0 |
0 |
0.067 |
33 |
|
[H4B]A:760 |
3 |
1 |
397 |
f |
[HEM]A:750 |
x,y,z |
1_555 |
5 |
1 |
819 |
43.0 |
-1.5 |
0.444 |
2 |
0 |
0 |
0.067 |
34 |
|
[H4B]C:760 |
4 |
1 |
396 |
f |
[HEM]C:750 |
x,y,z |
1_555 |
5 |
1 |
814 |
42.5 |
-1.4 |
0.448 |
2 |
0 |
0 |
0.067 |
Average: |
43.3 |
-1.4 |
0.448 |
2 |
0 |
0 |
0.067 |
18 |
35 |
|
B |
5 |
2 |
20381 |
◊ |
C |
x,y-1,z |
1_545 |
5 |
1 |
20694 |
42.4 |
0.1 |
0.660 |
0 |
0 |
0 |
0.000 |
19 |
36 |
|
[ZN]A:900 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
5 |
3 |
20381 |
34.7 |
-20.6 |
0.000 |
0 |
0 |
0 |
0.272 |
37 |
|
[ZN]A:900 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
5 |
3 |
20696 |
34.7 |
-20.1 |
0.000 |
0 |
0 |
0 |
0.272 |
38 |
|
[ZN]C:900 |
1 |
1 |
98 |
◊ |
D |
x,y,z |
1_555 |
5 |
3 |
20383 |
34.6 |
-20.6 |
0.000 |
0 |
0 |
0 |
0.272 |
39 |
|
[ZN]C:900 |
1 |
1 |
98 |
◊ |
C |
x,y,z |
1_555 |
5 |
3 |
20694 |
33.9 |
-20.0 |
0.000 |
0 |
0 |
0 |
0.272 |
Average: |
34.5 |
-20.3 |
0.000 |
0 |
0 |
0 |
0.272 |
20 |
40 |
|
B |
1 |
1 |
20381 |
◊ |
A |
-x+2,y,-z+1 |
2_756 |
1 |
1 |
20696 |
0.2 |
0.0 |
0.679 |
0 |
0 |
0 |
0.000 |
|