## |
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 |
264 |
83 |
25070 |
x |
B |
-y+1,x-y,z |
2_655 |
244 |
58 |
25070 |
2419.6 |
-20.7 |
0.237 |
30 |
4 |
0 |
0.154 |
2 |
|
A |
241 |
58 |
24952 |
x |
A |
-y+1,x-y,z |
2_655 |
260 |
79 |
24952 |
2385.9 |
-26.0 |
0.110 |
28 |
5 |
0 |
0.154 |
Average: |
2402.7 |
-23.3 |
0.174 |
29 |
5 |
0 |
0.154 |
2 |
3 |
|
B |
79 |
20 |
25070 |
◊ |
A |
x,y,z |
1_555 |
80 |
20 |
24952 |
718.0 |
2.1 |
0.879 |
11 |
3 |
0 |
0.000 |
3 |
4 |
|
[HEM]A:551 |
43 |
1 |
838 |
cf |
A |
x,y,z |
1_555 |
87 |
29 |
24952 |
549.1 |
-21.6 |
0.202 |
5 |
0 |
0 |
0.096 |
5 |
|
[HEM]B:551 |
43 |
1 |
833 |
cf |
B |
x,y,z |
1_555 |
82 |
28 |
25070 |
547.6 |
-21.5 |
0.169 |
5 |
0 |
0 |
0.096 |
Average: |
548.4 |
-21.6 |
0.185 |
5 |
0 |
0 |
0.096 |
4 |
6 |
|
[HEM]A:549 |
43 |
1 |
820 |
cf |
A |
x,y,z |
1_555 |
78 |
27 |
24952 |
537.5 |
-21.5 |
0.132 |
2 |
0 |
0 |
0.088 |
7 |
|
[HEM]B:549 |
43 |
1 |
824 |
cf |
B |
x,y,z |
1_555 |
81 |
29 |
25070 |
529.5 |
-20.6 |
0.213 |
3 |
0 |
0 |
0.088 |
Average: |
533.5 |
-21.0 |
0.173 |
3 |
0 |
0 |
0.088 |
5 |
8 |
|
[HEM]A:547 |
42 |
1 |
824 |
cf |
A |
x,y,z |
1_555 |
60 |
22 |
24952 |
515.6 |
-20.3 |
0.106 |
4 |
0 |
0 |
0.087 |
9 |
|
[HEM]B:547 |
43 |
1 |
816 |
cf |
B |
x,y,z |
1_555 |
61 |
22 |
25070 |
509.9 |
-20.1 |
0.085 |
2 |
0 |
0 |
0.087 |
Average: |
512.8 |
-20.2 |
0.096 |
3 |
0 |
0 |
0.087 |
6 |
10 |
|
[HEM]B:553 |
43 |
1 |
800 |
cf |
B |
x,y,z |
1_555 |
90 |
29 |
25070 |
512.4 |
-19.4 |
0.264 |
3 |
0 |
0 |
0.084 |
11 |
|
[HEM]A:553 |
43 |
1 |
791 |
cf |
A |
x,y,z |
1_555 |
79 |
25 |
24952 |
496.9 |
-18.8 |
0.278 |
3 |
0 |
0 |
0.084 |
Average: |
504.7 |
-19.1 |
0.271 |
3 |
0 |
0 |
0.084 |
7 |
12 |
|
[HEM]A:548 |
43 |
1 |
829 |
cf |
A |
x,y,z |
1_555 |
79 |
23 |
24952 |
491.3 |
-20.1 |
0.168 |
3 |
0 |
0 |
0.085 |
13 |
|
[HEM]B:548 |
43 |
1 |
825 |
cf |
B |
x,y,z |
1_555 |
81 |
24 |
25070 |
489.4 |
-19.7 |
0.185 |
3 |
0 |
0 |
0.085 |
Average: |
490.4 |
-19.9 |
0.176 |
3 |
0 |
0 |
0.085 |
8 |
14 |
|
[HEC]A:550 |
43 |
1 |
835 |
cf |
A |
x,y,z |
1_555 |
74 |
27 |
24952 |
484.6 |
-15.9 |
0.469 |
2 |
0 |
0 |
0.067 |
15 |
|
[HEC]B:550 |
43 |
1 |
837 |
cf |
B |
x,y,z |
1_555 |
73 |
26 |
25070 |
481.6 |
-15.7 |
0.481 |
2 |
0 |
0 |
0.067 |
Average: |
483.1 |
-15.8 |
0.475 |
2 |
0 |
0 |
0.067 |
9 |
16 |
|
[HEM]B:552 |
43 |
1 |
832 |
cf |
B |
x,y,z |
1_555 |
86 |
31 |
25070 |
482.6 |
-19.1 |
0.186 |
1 |
0 |
0 |
0.079 |
17 |
|
[HEM]A:552 |
43 |
1 |
838 |
cf |
A |
x,y,z |
1_555 |
83 |
30 |
24952 |
475.9 |
-18.0 |
0.327 |
2 |
0 |
0 |
0.079 |
Average: |
479.3 |
-18.6 |
0.256 |
2 |
0 |
0 |
0.079 |
10 |
18 |
|
[HEM]B:554 |
41 |
1 |
809 |
cf |
B |
x,y,z |
1_555 |
57 |
21 |
25070 |
432.5 |
-15.8 |
0.082 |
0 |
0 |
0 |
0.064 |
19 |
|
[HEM]A:554 |
40 |
1 |
818 |
cf |
A |
x,y,z |
1_555 |
54 |
20 |
24952 |
430.2 |
-15.3 |
0.120 |
0 |
0 |
0 |
0.064 |
Average: |
431.3 |
-15.5 |
0.101 |
0 |
0 |
0 |
0.064 |
11 |
20 |
|
[HEM]A:554 |
22 |
1 |
818 |
◊ |
A |
-y+1,x-y,z |
2_655 |
33 |
11 |
24952 |
239.0 |
-8.1 |
0.610 |
6 |
0 |
0 |
0.043 |
21 |
|
B |
29 |
11 |
25070 |
◊ |
[HEM]B:554 |
-y+1,x-y,z |
2_655 |
24 |
1 |
809 |
237.7 |
-8.3 |
0.610 |
5 |
0 |
0 |
0.043 |
Average: |
238.3 |
-8.2 |
0.610 |
6 |
0 |
0 |
0.043 |
12 |
22 |
|
A |
17 |
5 |
24952 |
◊ |
B |
-y+1,x-y,z |
2_655 |
18 |
5 |
25070 |
142.4 |
-0.4 |
0.637 |
1 |
0 |
0 |
0.000 |
13 |
23 |
|
[HEC]A:550 |
24 |
1 |
835 |
f |
[HEM]A:552 |
x,y,z |
1_555 |
22 |
1 |
838 |
122.6 |
-7.2 |
0.988 |
0 |
0 |
0 |
0.028 |
24 |
|
[HEC]B:550 |
24 |
1 |
837 |
f |
[HEM]B:552 |
x,y,z |
1_555 |
20 |
1 |
832 |
120.9 |
-6.9 |
0.976 |
0 |
0 |
0 |
0.028 |
Average: |
121.8 |
-7.0 |
0.982 |
0 |
0 |
0 |
0.028 |
14 |
25 |
|
[HEM]B:551 |
21 |
1 |
833 |
f |
[HEM]B:549 |
x,y,z |
1_555 |
23 |
1 |
824 |
117.4 |
-5.9 |
0.999 |
0 |
0 |
0 |
0.024 |
26 |
|
[HEM]A:551 |
21 |
1 |
838 |
f |
[HEM]A:549 |
x,y,z |
1_555 |
22 |
1 |
820 |
116.3 |
-5.8 |
0.999 |
0 |
0 |
0 |
0.024 |
Average: |
116.9 |
-5.8 |
0.999 |
0 |
0 |
0 |
0.024 |
15 |
27 |
|
A |
15 |
4 |
24952 |
◊ |
[HEM]A:547 |
-y+1,x-y,z |
2_655 |
10 |
1 |
824 |
115.0 |
-5.9 |
0.323 |
4 |
0 |
0 |
0.031 |
28 |
|
[HEM]B:547 |
10 |
1 |
816 |
◊ |
B |
-y+1,x-y,z |
2_655 |
14 |
4 |
25070 |
113.7 |
-5.9 |
0.315 |
4 |
0 |
0 |
0.031 |
Average: |
114.3 |
-5.9 |
0.319 |
4 |
0 |
0 |
0.031 |
16 |
29 |
|
[HEC]B:550 |
19 |
1 |
837 |
◊ |
B |
-y+1,x-y,z |
2_655 |
15 |
5 |
25070 |
114.5 |
-2.6 |
0.557 |
0 |
0 |
0 |
0.011 |
30 |
|
A |
12 |
4 |
24952 |
c |
[HEC]A:550 |
-y+1,x-y,z |
2_655 |
16 |
1 |
835 |
113.1 |
-2.3 |
0.557 |
0 |
0 |
0 |
0.011 |
Average: |
113.8 |
-2.5 |
0.557 |
0 |
0 |
0 |
0.011 |
17 |
31 |
|
[HEM]B:553 |
14 |
1 |
800 |
f |
[HEM]B:552 |
x,y,z |
1_555 |
20 |
1 |
832 |
96.4 |
-4.0 |
0.994 |
0 |
0 |
0 |
0.028 |
32 |
|
[HEM]A:553 |
15 |
1 |
791 |
f |
[HEM]A:552 |
x,y,z |
1_555 |
17 |
1 |
838 |
92.2 |
-3.8 |
0.995 |
0 |
0 |
0 |
0.028 |
33 |
|
[HEM]B:548 |
17 |
1 |
825 |
f |
[HEM]B:547 |
x,y,z |
1_555 |
17 |
1 |
816 |
81.4 |
-3.1 |
1.000 |
0 |
0 |
0 |
0.028 |
34 |
|
[HEM]A:548 |
17 |
1 |
829 |
f |
[HEM]A:547 |
x,y,z |
1_555 |
14 |
1 |
824 |
81.3 |
-3.1 |
0.998 |
0 |
0 |
0 |
0.028 |
Average: |
87.8 |
-3.5 |
0.997 |
0 |
0 |
0 |
0.028 |
18 |
35 |
|
[HEM]B:548 |
7 |
1 |
825 |
◊ |
B |
-y+1,x-y,z |
2_655 |
15 |
4 |
25070 |
82.5 |
-3.2 |
0.418 |
2 |
0 |
0 |
0.018 |
36 |
|
A |
15 |
4 |
24952 |
◊ |
[HEM]A:548 |
-y+1,x-y,z |
2_655 |
7 |
1 |
829 |
79.6 |
-2.7 |
0.526 |
4 |
0 |
0 |
0.018 |
Average: |
81.1 |
-3.0 |
0.472 |
3 |
0 |
0 |
0.018 |
19 |
37 |
|
A |
9 |
5 |
24952 |
x |
A |
-y,x-y,z |
2_555 |
12 |
6 |
24952 |
79.0 |
2.1 |
0.886 |
1 |
3 |
0 |
0.000 |
20 |
38 |
|
[HEM]A:549 |
12 |
1 |
820 |
f |
[HEM]A:548 |
x,y,z |
1_555 |
4 |
1 |
829 |
62.8 |
-2.1 |
0.801 |
0 |
0 |
0 |
0.009 |
39 |
|
[HEM]B:549 |
12 |
1 |
824 |
f |
[HEM]B:548 |
x,y,z |
1_555 |
4 |
1 |
825 |
62.3 |
-2.1 |
0.810 |
0 |
0 |
0 |
0.009 |
Average: |
62.5 |
-2.1 |
0.805 |
0 |
0 |
0 |
0.009 |
21 |
40 |
|
[HEM]A:552 |
12 |
1 |
838 |
f |
[HEM]A:551 |
x,y,z |
1_555 |
5 |
1 |
838 |
58.2 |
-1.9 |
0.889 |
0 |
0 |
0 |
0.008 |
41 |
|
[HEM]B:552 |
12 |
1 |
832 |
f |
[HEM]B:551 |
x,y,z |
1_555 |
5 |
1 |
833 |
54.1 |
-1.8 |
0.892 |
0 |
0 |
0 |
0.008 |
Average: |
56.2 |
-1.8 |
0.891 |
0 |
0 |
0 |
0.008 |
22 |
42 |
|
[HEM]A:554 |
9 |
1 |
818 |
f |
[HEM]A:553 |
x,y,z |
1_555 |
4 |
1 |
791 |
56.7 |
-1.8 |
0.834 |
0 |
0 |
0 |
0.007 |
43 |
|
[HEM]B:554 |
9 |
1 |
809 |
f |
[HEM]B:553 |
x,y,z |
1_555 |
4 |
1 |
800 |
53.1 |
-1.7 |
0.827 |
0 |
0 |
0 |
0.007 |
Average: |
54.9 |
-1.8 |
0.831 |
0 |
0 |
0 |
0.007 |
23 |
44 |
|
[HEC]B:550 |
6 |
1 |
837 |
f |
[HEM]B:553 |
x,y,z |
1_555 |
3 |
1 |
800 |
34.4 |
-2.1 |
0.686 |
0 |
0 |
0 |
0.008 |
45 |
|
[HEC]A:550 |
6 |
1 |
835 |
f |
[HEM]A:553 |
x,y,z |
1_555 |
3 |
1 |
791 |
33.6 |
-2.0 |
0.712 |
0 |
0 |
0 |
0.008 |
Average: |
34.0 |
-2.0 |
0.699 |
0 |
0 |
0 |
0.008 |
24 |
46 |
|
A |
2 |
1 |
24952 |
◊ |
[HEM]A:552 |
-y+1,x-y,z |
2_655 |
2 |
1 |
838 |
14.5 |
-0.1 |
0.765 |
0 |
0 |
0 |
0.000 |
47 |
|
[HEM]B:552 |
1 |
1 |
832 |
◊ |
B |
-y+1,x-y,z |
2_655 |
1 |
1 |
25070 |
12.3 |
0.3 |
0.653 |
0 |
0 |
0 |
0.000 |
Average: |
13.4 |
0.1 |
0.709 |
0 |
0 |
0 |
0.000 |
25 |
48 |
|
[HEM]B:548 |
3 |
1 |
825 |
◊ |
[HEM]B:554 |
-y+1,x-y,z |
2_655 |
4 |
1 |
809 |
10.8 |
-1.0 |
0.759 |
0 |
0 |
0 |
0.004 |
49 |
|
[HEM]A:554 |
2 |
1 |
818 |
◊ |
[HEM]A:548 |
-y+1,x-y,z |
2_655 |
2 |
1 |
829 |
5.3 |
-0.5 |
0.684 |
0 |
0 |
0 |
0.004 |
Average: |
8.0 |
-0.8 |
0.721 |
0 |
0 |
0 |
0.004 |
|