## |
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 |
88 |
32 |
20233 |
◊ |
B |
x,y,z |
1_555 |
86 |
31 |
20095 |
1046.0 |
-20.9 |
0.001 |
6 |
0 |
0 |
0.188 |
2 |
|
C |
78 |
27 |
20010 |
◊ |
A |
x-1,y,z+1 |
1_456 |
81 |
28 |
19893 |
892.7 |
-18.5 |
0.001 |
5 |
0 |
0 |
0.188 |
Average: |
969.4 |
-19.7 |
0.001 |
6 |
0 |
0 |
0.188 |
2 |
3 |
|
D |
78 |
24 |
20233 |
◊ |
A |
x,y-1,z |
1_545 |
69 |
21 |
19893 |
646.7 |
-3.0 |
0.492 |
6 |
2 |
0 |
0.000 |
3 |
4 |
|
C |
71 |
20 |
20010 |
◊ |
A |
x,y-1,z+1 |
1_546 |
74 |
24 |
19893 |
613.1 |
1.6 |
0.826 |
7 |
3 |
0 |
0.000 |
5 |
|
D |
63 |
21 |
20233 |
◊ |
B |
x,y-1,z |
1_545 |
56 |
20 |
20095 |
520.2 |
3.6 |
0.904 |
5 |
4 |
0 |
0.000 |
Average: |
566.7 |
2.6 |
0.865 |
6 |
4 |
0 |
0.000 |
4 |
6 |
|
[HEM]D:501 |
43 |
1 |
827 |
f |
D |
x,y,z |
1_555 |
87 |
39 |
20233 |
601.2 |
-23.2 |
0.226 |
6 |
0 |
0 |
0.418 |
7 |
|
[HEM]C:501 |
43 |
1 |
830 |
f |
C |
x,y,z |
1_555 |
86 |
39 |
20010 |
598.7 |
-22.7 |
0.258 |
5 |
0 |
0 |
0.418 |
8 |
|
[HEM]B:501 |
43 |
1 |
824 |
f |
B |
x,y,z |
1_555 |
86 |
40 |
20095 |
596.5 |
-23.8 |
0.166 |
6 |
0 |
0 |
0.418 |
9 |
|
[HEM]A:501 |
43 |
1 |
820 |
f |
A |
x,y,z |
1_555 |
86 |
39 |
19893 |
589.0 |
-22.9 |
0.197 |
7 |
0 |
0 |
0.418 |
Average: |
596.3 |
-23.2 |
0.212 |
6 |
0 |
0 |
0.418 |
5 |
10 |
|
[VNT]D:502 |
34 |
1 |
738 |
f |
D |
x,y,z |
1_555 |
66 |
26 |
20233 |
513.5 |
-21.2 |
0.134 |
1 |
0 |
0 |
0.172 |
6 |
11 |
|
[VNT]A:502 |
34 |
1 |
739 |
f |
A |
x,y,z |
1_555 |
65 |
25 |
19893 |
503.9 |
-21.0 |
0.120 |
0 |
0 |
0 |
0.172 |
7 |
12 |
|
[VNT]C:502 |
34 |
1 |
741 |
f |
C |
x,y,z |
1_555 |
59 |
24 |
20010 |
493.3 |
-20.5 |
0.135 |
1 |
0 |
0 |
0.172 |
13 |
|
[VNT]B:502 |
34 |
1 |
733 |
f |
B |
x,y,z |
1_555 |
58 |
27 |
20095 |
479.4 |
-20.1 |
0.132 |
1 |
0 |
0 |
0.172 |
Average: |
486.4 |
-20.3 |
0.134 |
1 |
0 |
0 |
0.172 |
8 |
14 |
|
B |
54 |
15 |
20095 |
◊ |
A |
x,y,z |
1_555 |
43 |
13 |
19893 |
427.7 |
2.0 |
0.834 |
10 |
7 |
0 |
0.000 |
9 |
15 |
|
A |
29 |
10 |
19893 |
◊ |
C |
x,y,z-1 |
1_554 |
24 |
8 |
20010 |
279.6 |
-2.2 |
0.410 |
2 |
0 |
0 |
0.000 |
10 |
16 |
|
C |
32 |
12 |
20010 |
◊ |
A |
x-1,y-1,z+1 |
1_446 |
36 |
13 |
19893 |
278.4 |
-3.3 |
0.323 |
0 |
0 |
0 |
0.000 |
11 |
17 |
|
B |
28 |
6 |
20095 |
x |
B |
x-1,y,z |
1_455 |
27 |
6 |
20095 |
270.0 |
-4.4 |
0.160 |
1 |
1 |
0 |
0.000 |
12 |
18 |
|
D |
25 |
6 |
20233 |
◊ |
A |
x,y-1,z+1 |
1_546 |
27 |
8 |
19893 |
247.6 |
-3.0 |
0.200 |
2 |
2 |
0 |
0.000 |
13 |
19 |
|
C |
27 |
9 |
20010 |
◊ |
D |
x-1,y+1,z |
1_465 |
22 |
6 |
20233 |
240.4 |
-3.5 |
0.207 |
0 |
0 |
0 |
0.000 |
14 |
20 |
|
C |
26 |
9 |
20010 |
◊ |
B |
x,y,z |
1_555 |
27 |
10 |
20095 |
222.2 |
2.0 |
0.843 |
1 |
2 |
0 |
0.000 |
15 |
21 |
|
C |
25 |
10 |
20010 |
◊ |
B |
x-1,y,z+1 |
1_456 |
22 |
8 |
20095 |
198.9 |
0.4 |
0.713 |
2 |
1 |
0 |
0.000 |
16 |
22 |
|
D |
15 |
5 |
20233 |
◊ |
A |
x-1,y-1,z+1 |
1_446 |
17 |
7 |
19893 |
152.0 |
-0.1 |
0.539 |
1 |
0 |
0 |
0.000 |
17 |
23 |
|
B |
12 |
5 |
20095 |
◊ |
A |
x,y-1,z+1 |
1_546 |
12 |
4 |
19893 |
125.6 |
1.6 |
0.835 |
1 |
2 |
0 |
0.000 |
18 |
24 |
|
[VNT]A:502 |
12 |
1 |
739 |
f |
[HEM]A:501 |
x,y,z |
1_555 |
28 |
1 |
820 |
114.9 |
-4.1 |
0.859 |
0 |
0 |
0 |
0.034 |
19 |
25 |
|
[VNT]C:502 |
11 |
1 |
741 |
f |
[HEM]C:501 |
x,y,z |
1_555 |
26 |
1 |
830 |
114.6 |
-3.5 |
0.897 |
0 |
0 |
0 |
0.029 |
26 |
|
[VNT]B:502 |
11 |
1 |
733 |
f |
[HEM]B:501 |
x,y,z |
1_555 |
27 |
1 |
824 |
112.8 |
-3.5 |
0.902 |
0 |
0 |
0 |
0.029 |
Average: |
113.7 |
-3.5 |
0.899 |
0 |
0 |
0 |
0.029 |
20 |
27 |
|
[VNT]D:502 |
11 |
1 |
738 |
f |
[HEM]D:501 |
x,y,z |
1_555 |
25 |
1 |
827 |
110.2 |
-3.0 |
0.929 |
0 |
0 |
0 |
0.024 |
21 |
28 |
|
D |
6 |
3 |
20233 |
x |
D |
x-1,y,z |
1_455 |
6 |
3 |
20233 |
67.0 |
1.2 |
0.861 |
1 |
2 |
0 |
0.000 |
22 |
29 |
|
D |
6 |
4 |
20233 |
◊ |
C |
x,y-1,z |
1_545 |
7 |
5 |
20010 |
52.7 |
1.8 |
0.896 |
0 |
0 |
0 |
0.000 |
23 |
30 |
|
B |
6 |
2 |
20095 |
◊ |
C |
x,y,z-1 |
1_554 |
3 |
1 |
20010 |
36.1 |
-0.3 |
0.486 |
0 |
1 |
0 |
0.000 |
24 |
31 |
|
[VNT]B:502 |
4 |
1 |
733 |
◊ |
D |
x,y,z |
1_555 |
6 |
2 |
20233 |
35.0 |
-0.9 |
0.566 |
0 |
0 |
0 |
0.007 |
32 |
|
[VNT]C:502 |
2 |
1 |
741 |
◊ |
A |
x-1,y,z+1 |
1_456 |
3 |
1 |
19893 |
21.4 |
-0.6 |
0.477 |
0 |
0 |
0 |
0.007 |
Average: |
28.2 |
-0.7 |
0.521 |
0 |
0 |
0 |
0.007 |
25 |
33 |
|
B |
2 |
2 |
20095 |
◊ |
D |
x-1,y+1,z |
1_465 |
4 |
2 |
20233 |
16.6 |
-0.1 |
0.592 |
0 |
0 |
0 |
0.000 |
26 |
34 |
|
D |
4 |
3 |
20233 |
◊ |
B |
x-1,y,z |
1_455 |
4 |
2 |
20095 |
13.8 |
0.3 |
0.743 |
0 |
0 |
0 |
0.000 |
27 |
35 |
|
A |
2 |
1 |
19893 |
x |
A |
x-1,y,z |
1_455 |
4 |
3 |
19893 |
9.6 |
0.0 |
0.673 |
0 |
0 |
0 |
0.000 |
|