## |
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 |
288 |
71 |
20317 |
◊ |
A |
x,y,z |
1_555 |
287 |
77 |
20203 |
2761.0 |
-35.0 |
0.030 |
31 |
13 |
0 |
0.323 |
2 |
2 |
|
A |
88 |
27 |
20203 |
◊ |
B |
-x+1/2,-y,z-1/2 |
2_554 |
88 |
30 |
20317 |
706.1 |
0.2 |
0.813 |
6 |
8 |
0 |
0.000 |
3 |
3 |
|
[HEM]A:500 |
40 |
1 |
829 |
f |
A |
x,y,z |
1_555 |
78 |
24 |
20203 |
520.0 |
-18.3 |
0.334 |
2 |
0 |
0 |
0.239 |
4 |
|
[HEM]B:500 |
42 |
1 |
820 |
f |
B |
x,y,z |
1_555 |
80 |
24 |
20317 |
499.4 |
-17.4 |
0.316 |
2 |
0 |
0 |
0.239 |
Average: |
509.7 |
-17.9 |
0.325 |
2 |
0 |
0 |
0.239 |
4 |
5 |
|
A |
51 |
18 |
20203 |
x |
A |
-x,y-1/2,-z+1/2 |
3_545 |
55 |
16 |
20203 |
469.3 |
-2.4 |
0.547 |
2 |
2 |
0 |
0.000 |
5 |
6 |
|
[XFM]A:800 |
25 |
1 |
615 |
f |
A |
x,y,z |
1_555 |
45 |
18 |
20203 |
326.2 |
-0.9 |
0.451 |
3 |
0 |
0 |
0.015 |
6 |
7 |
|
[XFM]B:800 |
25 |
1 |
616 |
f |
B |
x,y,z |
1_555 |
41 |
18 |
20317 |
305.1 |
0.2 |
0.481 |
3 |
0 |
0 |
0.007 |
7 |
8 |
|
[H4B]B:600 |
16 |
1 |
398 |
f |
B |
x,y,z |
1_555 |
29 |
10 |
20317 |
181.4 |
1.7 |
0.464 |
3 |
0 |
0 |
0.000 |
9 |
|
[H4B]A:600 |
17 |
1 |
395 |
f |
A |
x,y,z |
1_555 |
25 |
9 |
20203 |
174.8 |
2.3 |
0.489 |
2 |
0 |
0 |
0.000 |
Average: |
178.1 |
2.0 |
0.477 |
3 |
0 |
0 |
0.000 |
8 |
10 |
|
[XFM]A:800 |
18 |
1 |
615 |
f |
[HEM]A:500 |
x,y,z |
1_555 |
35 |
1 |
829 |
166.1 |
-2.9 |
0.700 |
0 |
0 |
0 |
0.019 |
9 |
11 |
|
[XFM]B:800 |
15 |
1 |
616 |
f |
[HEM]B:500 |
x,y,z |
1_555 |
37 |
1 |
820 |
155.9 |
-2.6 |
0.697 |
0 |
0 |
0 |
0.016 |
10 |
12 |
|
[CAD]B:950 |
3 |
1 |
208 |
f |
B |
x,y,z |
1_555 |
17 |
7 |
20317 |
116.9 |
-0.1 |
0.213 |
0 |
0 |
0 |
0.000 |
11 |
13 |
|
[ACT]B:860 |
4 |
1 |
182 |
f |
B |
x,y,z |
1_555 |
19 |
9 |
20317 |
114.6 |
-1.5 |
0.490 |
2 |
0 |
0 |
0.015 |
12 |
14 |
|
[H4B]B:600 |
14 |
1 |
398 |
◊ |
A |
x,y,z |
1_555 |
24 |
6 |
20203 |
114.1 |
-0.2 |
0.270 |
1 |
0 |
0 |
0.009 |
15 |
|
[H4B]A:600 |
13 |
1 |
395 |
◊ |
B |
x,y,z |
1_555 |
24 |
6 |
20317 |
112.7 |
-0.3 |
0.260 |
1 |
0 |
0 |
0.009 |
Average: |
113.4 |
-0.2 |
0.265 |
1 |
0 |
0 |
0.009 |
13 |
16 |
|
[ACT]A:860 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
19 |
9 |
20203 |
113.3 |
-1.3 |
0.519 |
2 |
0 |
0 |
0.014 |
14 |
17 |
|
B |
11 |
7 |
20317 |
x |
B |
x-1,y,z |
1_455 |
9 |
5 |
20317 |
97.7 |
-2.4 |
0.139 |
0 |
0 |
0 |
0.000 |
15 |
18 |
|
[CAD]A:950 |
3 |
1 |
208 |
f |
A |
x,y,z |
1_555 |
13 |
5 |
20203 |
95.3 |
-0.5 |
0.182 |
0 |
0 |
0 |
0.003 |
16 |
19 |
|
[ACT]A:850 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
10 |
7 |
20203 |
88.3 |
1.3 |
0.867 |
4 |
0 |
0 |
0.003 |
17 |
20 |
|
[ACT]B:850 |
4 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
11 |
7 |
20317 |
86.6 |
1.6 |
0.868 |
3 |
0 |
0 |
0.000 |
18 |
21 |
|
[GOL]A:880 |
6 |
1 |
219 |
f |
A |
x,y,z |
1_555 |
11 |
6 |
20203 |
84.0 |
0.8 |
0.745 |
2 |
0 |
0 |
0.000 |
19 |
22 |
|
A |
13 |
6 |
20203 |
◊ |
[CAD]A:950 |
-x,y-1/2,-z+1/2 |
3_545 |
3 |
1 |
208 |
76.4 |
2.4 |
0.401 |
0 |
0 |
0 |
0.000 |
20 |
23 |
|
[GOL]B:880 |
6 |
1 |
217 |
f |
B |
x,y,z |
1_555 |
8 |
3 |
20317 |
67.5 |
0.4 |
0.690 |
0 |
0 |
0 |
0.000 |
21 |
24 |
|
[XFM]B:800 |
12 |
1 |
616 |
f |
[GOL]B:890 |
x,y,z |
1_555 |
5 |
1 |
216 |
58.1 |
-0.2 |
0.464 |
0 |
0 |
0 |
0.002 |
22 |
25 |
|
[GOL]B:890 |
4 |
1 |
216 |
f |
B |
x,y,z |
1_555 |
7 |
4 |
20317 |
56.8 |
-0.9 |
0.284 |
0 |
0 |
0 |
0.006 |
23 |
26 |
|
[GOL]A:880 |
5 |
1 |
219 |
◊ |
B |
x,y,z |
1_555 |
13 |
3 |
20317 |
56.6 |
-0.5 |
0.473 |
0 |
0 |
0 |
0.003 |
24 |
27 |
|
B |
8 |
3 |
20317 |
◊ |
A |
-x,y-1/2,-z+1/2 |
3_545 |
4 |
2 |
20203 |
49.2 |
-0.2 |
0.499 |
0 |
0 |
0 |
0.000 |
25 |
28 |
|
[GOL]B:880 |
4 |
1 |
217 |
◊ |
A |
x,y,z |
1_555 |
11 |
3 |
20203 |
47.3 |
-0.4 |
0.489 |
0 |
0 |
0 |
0.002 |
26 |
29 |
|
[H4B]A:600 |
7 |
1 |
395 |
f |
[GOL]A:880 |
x,y,z |
1_555 |
4 |
1 |
219 |
46.7 |
-0.0 |
0.277 |
3 |
0 |
0 |
0.009 |
27 |
30 |
|
[CAD]B:950 |
2 |
1 |
208 |
◊ |
B |
x-1,y,z |
1_455 |
4 |
2 |
20317 |
44.1 |
0.8 |
0.281 |
0 |
0 |
0 |
0.000 |
28 |
31 |
|
[H4B]A:600 |
5 |
1 |
395 |
f |
[HEM]A:500 |
x,y,z |
1_555 |
5 |
1 |
829 |
42.3 |
-1.3 |
0.420 |
1 |
0 |
0 |
0.024 |
32 |
|
[H4B]B:600 |
5 |
1 |
398 |
f |
[HEM]B:500 |
x,y,z |
1_555 |
5 |
1 |
820 |
39.1 |
-1.1 |
0.421 |
2 |
0 |
0 |
0.024 |
Average: |
40.7 |
-1.2 |
0.421 |
2 |
0 |
0 |
0.024 |
29 |
33 |
|
[ZN]B:1 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
7 |
3 |
20317 |
42.0 |
-24.4 |
0.000 |
0 |
0 |
0 |
0.155 |
30 |
34 |
|
[H4B]B:600 |
7 |
1 |
398 |
f |
[GOL]B:880 |
x,y,z |
1_555 |
4 |
1 |
217 |
42.0 |
0.0 |
0.300 |
3 |
0 |
0 |
0.008 |
31 |
35 |
|
[GOL]B:890 |
3 |
1 |
216 |
f |
[HEM]B:500 |
x,y,z |
1_555 |
6 |
1 |
820 |
38.5 |
-1.9 |
0.531 |
1 |
0 |
0 |
0.015 |
32 |
36 |
|
[GOL]B:890 |
5 |
1 |
216 |
f |
[GOL]B:880 |
x,y,z |
1_555 |
4 |
1 |
217 |
34.6 |
-0.1 |
0.539 |
0 |
0 |
0 |
0.000 |
33 |
37 |
|
[ZN]A:900 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
5 |
3 |
20203 |
34.5 |
-20.5 |
0.000 |
0 |
0 |
0 |
0.206 |
38 |
|
[ZN]A:900 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
5 |
3 |
20317 |
34.2 |
-20.0 |
0.000 |
0 |
0 |
0 |
0.206 |
Average: |
34.3 |
-20.3 |
0.000 |
0 |
0 |
0 |
0.206 |
34 |
39 |
|
[ACT]A:860 |
1 |
1 |
183 |
f |
[HEM]A:500 |
x,y,z |
1_555 |
5 |
1 |
829 |
33.0 |
-1.1 |
0.491 |
0 |
0 |
0 |
0.007 |
35 |
40 |
|
[ACT]B:860 |
1 |
1 |
182 |
f |
[HEM]B:500 |
x,y,z |
1_555 |
5 |
1 |
820 |
33.0 |
-1.1 |
0.490 |
0 |
0 |
0 |
0.007 |
36 |
41 |
|
[ZN]B:1 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
6 |
2 |
20203 |
32.4 |
-14.4 |
0.000 |
0 |
0 |
0 |
0.092 |
37 |
42 |
|
A |
4 |
2 |
20203 |
◊ |
B |
-x,y-1/2,-z+1/2 |
3_545 |
2 |
2 |
20317 |
20.6 |
-0.3 |
0.373 |
0 |
0 |
0 |
0.000 |
38 |
43 |
|
[XFM]A:800 |
1 |
1 |
615 |
f |
[GOL]A:880 |
x,y,z |
1_555 |
3 |
1 |
219 |
19.3 |
-1.3 |
0.133 |
0 |
0 |
0 |
0.008 |
39 |
44 |
|
[GOL]B:890 |
1 |
1 |
216 |
f |
[ACT]B:850 |
x,y,z |
1_555 |
1 |
1 |
183 |
18.4 |
-0.1 |
0.500 |
0 |
0 |
0 |
0.000 |
40 |
45 |
|
[XFM]B:800 |
5 |
1 |
616 |
f |
[ACT]B:850 |
x,y,z |
1_555 |
2 |
1 |
183 |
18.4 |
-0.3 |
0.472 |
0 |
0 |
0 |
0.002 |
41 |
46 |
|
[H4B]B:600 |
3 |
1 |
398 |
f |
[GOL]B:890 |
x,y,z |
1_555 |
4 |
1 |
216 |
12.6 |
-0.3 |
0.299 |
0 |
0 |
0 |
0.002 |
42 |
47 |
|
[GOL]B:880 |
1 |
1 |
217 |
f |
[ACT]B:850 |
x,y,z |
1_555 |
1 |
1 |
183 |
10.0 |
-0.1 |
0.500 |
0 |
0 |
0 |
0.000 |
43 |
48 |
|
[XFM]A:800 |
3 |
1 |
615 |
f |
[ACT]A:850 |
x,y,z |
1_555 |
1 |
1 |
183 |
8.1 |
0.1 |
0.531 |
0 |
0 |
0 |
0.000 |
44 |
49 |
|
[ACT]A:850 |
1 |
1 |
183 |
f |
[HEM]A:500 |
x,y,z |
1_555 |
2 |
1 |
829 |
8.0 |
-0.5 |
0.576 |
0 |
0 |
0 |
0.003 |
45 |
50 |
|
[ACT]B:850 |
1 |
1 |
183 |
f |
[HEM]B:500 |
x,y,z |
1_555 |
1 |
1 |
820 |
5.5 |
-0.4 |
0.445 |
0 |
0 |
0 |
0.002 |
46 |
51 |
|
[XFM]A:800 |
1 |
1 |
615 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
20317 |
4.9 |
-0.4 |
0.407 |
0 |
0 |
0 |
0.002 |
47 |
52 |
|
[GOL]B:890 |
1 |
1 |
216 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
20203 |
1.5 |
-0.0 |
0.487 |
0 |
0 |
0 |
0.000 |
48 |
53 |
|
[XFM]B:800 |
2 |
1 |
616 |
f |
[GOL]B:880 |
x,y,z |
1_555 |
1 |
1 |
217 |
1.0 |
-0.0 |
0.491 |
0 |
0 |
0 |
0.000 |
49 |
54 |
|
[GOL]B:880 |
1 |
1 |
217 |
f |
[HEM]B:500 |
x,y,z |
1_555 |
1 |
1 |
820 |
0.6 |
-0.0 |
0.673 |
0 |
0 |
0 |
0.000 |
|