## |
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 |
65 |
20 |
6375 |
◊ |
A |
x,y,z |
1_555 |
62 |
20 |
6406 |
597.7 |
-6.1 |
0.245 |
3 |
1 |
0 |
0.079 |
2 |
|
D |
50 |
19 |
6388 |
◊ |
C |
x,y,z |
1_555 |
56 |
19 |
6297 |
520.1 |
-8.8 |
0.088 |
0 |
0 |
0 |
0.079 |
Average: |
558.9 |
-7.4 |
0.167 |
2 |
1 |
0 |
0.079 |
2 |
3 |
|
[HEM]B:150 |
43 |
1 |
825 |
cf |
B |
x,y,z |
1_555 |
76 |
20 |
6375 |
555.4 |
-20.1 |
0.342 |
0 |
0 |
0 |
0.349 |
4 |
|
[HEM]A:150 |
43 |
1 |
818 |
cf |
A |
x,y,z |
1_555 |
74 |
20 |
6406 |
553.5 |
-18.8 |
0.390 |
0 |
0 |
0 |
0.349 |
5 |
|
[HEM]C:150 |
43 |
1 |
823 |
cf |
C |
x,y,z |
1_555 |
73 |
20 |
6297 |
539.0 |
-18.5 |
0.393 |
0 |
0 |
0 |
0.349 |
Average: |
549.3 |
-19.2 |
0.375 |
0 |
0 |
0 |
0.349 |
3 |
6 |
|
[HEM]D:150 |
43 |
1 |
831 |
cf |
D |
x,y,z |
1_555 |
68 |
20 |
6388 |
549.7 |
-18.4 |
0.381 |
1 |
0 |
0 |
0.169 |
4 |
7 |
|
D |
51 |
16 |
6388 |
◊ |
A |
x,y,z |
1_555 |
53 |
15 |
6406 |
496.9 |
-2.6 |
0.436 |
3 |
2 |
0 |
0.042 |
8 |
|
C |
52 |
15 |
6297 |
◊ |
B |
x,y,z |
1_555 |
50 |
16 |
6375 |
467.9 |
-2.9 |
0.470 |
3 |
3 |
0 |
0.042 |
Average: |
482.4 |
-2.7 |
0.453 |
3 |
3 |
0 |
0.042 |
5 |
9 |
|
C |
26 |
10 |
6297 |
◊ |
A |
-x+1,y-1/2,-z |
2_645 |
26 |
9 |
6406 |
230.5 |
2.8 |
0.857 |
0 |
2 |
0 |
0.000 |
6 |
10 |
|
B |
24 |
9 |
6375 |
◊ |
D |
-x+1,y-1/2,-z |
2_645 |
20 |
6 |
6388 |
196.2 |
1.0 |
0.736 |
1 |
3 |
0 |
0.000 |
7 |
11 |
|
B |
13 |
4 |
6375 |
x |
B |
x-1,y,z |
1_455 |
19 |
7 |
6375 |
146.0 |
0.1 |
0.636 |
3 |
0 |
0 |
0.000 |
8 |
12 |
|
A |
13 |
5 |
6406 |
◊ |
D |
x-1,y,z |
1_455 |
14 |
5 |
6388 |
144.2 |
2.7 |
0.869 |
4 |
0 |
0 |
0.000 |
9 |
13 |
|
C |
15 |
6 |
6297 |
x |
C |
x-1,y,z |
1_455 |
16 |
5 |
6297 |
132.1 |
1.9 |
0.781 |
4 |
2 |
0 |
0.000 |
10 |
14 |
|
B |
15 |
5 |
6375 |
◊ |
D |
x-1,y,z |
1_455 |
16 |
4 |
6388 |
130.7 |
1.5 |
0.793 |
1 |
1 |
0 |
0.000 |
11 |
15 |
|
B |
14 |
6 |
6375 |
◊ |
C |
x,y,z-1 |
1_554 |
11 |
4 |
6297 |
96.4 |
1.5 |
0.788 |
2 |
0 |
0 |
0.000 |
12 |
16 |
|
B |
8 |
6 |
6375 |
◊ |
C |
x-1,y,z |
1_455 |
11 |
4 |
6297 |
82.9 |
1.2 |
0.804 |
1 |
0 |
0 |
0.000 |
13 |
17 |
|
C |
11 |
4 |
6297 |
◊ |
A |
x,y,z |
1_555 |
11 |
4 |
6406 |
79.3 |
-0.6 |
0.497 |
0 |
0 |
0 |
0.004 |
18 |
|
D |
8 |
3 |
6388 |
◊ |
B |
x,y,z |
1_555 |
10 |
3 |
6375 |
77.1 |
-0.6 |
0.485 |
0 |
0 |
0 |
0.004 |
Average: |
78.2 |
-0.6 |
0.491 |
0 |
0 |
0 |
0.004 |
14 |
19 |
|
B |
11 |
5 |
6375 |
◊ |
A |
-x,y-1/2,-z |
2_545 |
13 |
5 |
6406 |
77.2 |
0.9 |
0.728 |
1 |
2 |
0 |
0.000 |
15 |
20 |
|
B |
12 |
5 |
6375 |
◊ |
D |
x-1,y,z-1 |
1_454 |
7 |
3 |
6388 |
69.2 |
1.0 |
0.763 |
1 |
0 |
0 |
0.000 |
16 |
21 |
|
A |
9 |
4 |
6406 |
x |
A |
x,y,z-1 |
1_554 |
7 |
2 |
6406 |
61.5 |
0.0 |
0.595 |
1 |
0 |
0 |
0.000 |
17 |
22 |
|
C |
4 |
2 |
6297 |
◊ |
A |
-x+1,y-1/2,-z+1 |
2_646 |
8 |
2 |
6406 |
61.0 |
1.0 |
0.802 |
2 |
1 |
0 |
0.000 |
18 |
23 |
|
A |
6 |
4 |
6406 |
◊ |
D |
x-1,y,z-1 |
1_454 |
9 |
4 |
6388 |
48.2 |
0.4 |
0.686 |
0 |
0 |
0 |
0.000 |
19 |
24 |
|
C |
6 |
2 |
6297 |
◊ |
D |
-x+1,y-1/2,-z |
2_645 |
5 |
2 |
6388 |
46.2 |
-0.2 |
0.506 |
0 |
1 |
0 |
0.000 |
20 |
25 |
|
C |
6 |
2 |
6297 |
◊ |
A |
-x,y-1/2,-z |
2_545 |
3 |
1 |
6406 |
39.3 |
0.5 |
0.745 |
0 |
1 |
0 |
0.000 |
21 |
26 |
|
[CA]D:108 |
1 |
1 |
85 |
f |
D |
x,y,z |
1_555 |
5 |
3 |
6388 |
34.4 |
-6.6 |
0.000 |
0 |
0 |
0 |
0.059 |
22 |
27 |
|
[ZN]D:107 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
5 |
2 |
6388 |
33.7 |
-17.3 |
0.000 |
0 |
0 |
0 |
0.326 |
28 |
|
[ZN]A:107 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
5 |
2 |
6406 |
33.2 |
-17.4 |
0.000 |
0 |
0 |
0 |
0.326 |
29 |
|
[ZN]B:107 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
6 |
2 |
6375 |
33.1 |
-18.0 |
0.000 |
0 |
0 |
0 |
0.326 |
30 |
|
[ZN]C:107 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
5 |
2 |
6297 |
32.9 |
-18.2 |
0.000 |
0 |
0 |
0 |
0.326 |
Average: |
33.2 |
-17.7 |
0.000 |
0 |
0 |
0 |
0.326 |
23 |
31 |
|
[HEM]C:150 |
3 |
1 |
823 |
◊ |
D |
-x+1,y-1/2,-z+1 |
2_646 |
5 |
2 |
6388 |
33.6 |
-0.9 |
0.557 |
1 |
0 |
0 |
0.000 |
24 |
32 |
|
[CA]B:109 |
1 |
1 |
85 |
f |
B |
x,y,z |
1_555 |
6 |
4 |
6375 |
29.6 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.045 |
25 |
33 |
|
[CA]B:109 |
1 |
1 |
85 |
◊ |
D |
-x+1,y-1/2,-z |
2_645 |
6 |
3 |
6388 |
29.5 |
-5.7 |
0.000 |
0 |
0 |
0 |
0.033 |
26 |
34 |
|
[ZN]A:107 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
4 |
2 |
6375 |
28.4 |
-11.8 |
0.000 |
0 |
0 |
0 |
0.210 |
35 |
|
[ZN]D:107 |
1 |
1 |
98 |
◊ |
C |
x,y,z |
1_555 |
4 |
2 |
6297 |
28.1 |
-11.9 |
0.000 |
0 |
0 |
0 |
0.210 |
36 |
|
[ZN]B:107 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
4 |
2 |
6406 |
28.0 |
-11.7 |
0.000 |
0 |
0 |
0 |
0.210 |
37 |
|
[ZN]C:107 |
1 |
1 |
98 |
◊ |
D |
x,y,z |
1_555 |
4 |
2 |
6388 |
27.6 |
-11.6 |
0.000 |
0 |
0 |
0 |
0.210 |
Average: |
28.0 |
-11.8 |
0.000 |
0 |
0 |
0 |
0.210 |
27 |
38 |
|
[ZN]C:107 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
6375 |
28.0 |
-10.2 |
0.000 |
0 |
0 |
0 |
0.185 |
39 |
|
[ZN]A:107 |
1 |
1 |
98 |
◊ |
D |
x,y,z |
1_555 |
3 |
1 |
6388 |
28.0 |
-10.1 |
0.000 |
0 |
0 |
0 |
0.185 |
40 |
|
[ZN]B:107 |
1 |
1 |
98 |
◊ |
C |
x,y,z |
1_555 |
3 |
1 |
6297 |
27.7 |
-10.3 |
0.000 |
0 |
0 |
0 |
0.185 |
41 |
|
[ZN]D:107 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
6406 |
27.5 |
-10.2 |
0.000 |
0 |
0 |
0 |
0.185 |
Average: |
27.8 |
-10.2 |
0.000 |
0 |
0 |
0 |
0.185 |
28 |
42 |
|
[CA]B:108 |
1 |
1 |
85 |
f |
B |
x,y,z |
1_555 |
3 |
1 |
6375 |
27.9 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.071 |
43 |
|
[CA]B:110 |
1 |
1 |
85 |
f |
A |
-x,y-1/2,-z |
2_545 |
5 |
2 |
6406 |
25.4 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.071 |
Average: |
26.7 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.071 |
29 |
44 |
|
B |
3 |
1 |
6375 |
◊ |
[CA]D:108 |
-x+1,y-1/2,-z |
2_645 |
1 |
1 |
85 |
26.8 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.046 |
45 |
|
[CA]B:108 |
1 |
1 |
85 |
◊ |
A |
-x,y-1/2,-z |
2_545 |
3 |
1 |
6406 |
23.3 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.046 |
Average: |
25.1 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.046 |
30 |
46 |
|
[HEM]A:150 |
5 |
1 |
818 |
f |
[CA]A:108 |
x,y,z |
1_555 |
1 |
1 |
85 |
26.4 |
-5.3 |
0.000 |
0 |
0 |
0 |
0.046 |
31 |
47 |
|
B |
4 |
3 |
6375 |
◊ |
[HEM]D:150 |
-x+1,y-1/2,-z |
2_645 |
3 |
1 |
831 |
25.7 |
-1.3 |
0.533 |
0 |
0 |
0 |
0.008 |
32 |
48 |
|
B |
4 |
2 |
6375 |
◊ |
[CA]A:108 |
-x,y-1/2,-z |
2_545 |
1 |
1 |
85 |
24.3 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.022 |
33 |
49 |
|
[CA]A:108 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
4 |
1 |
6406 |
22.3 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.026 |
34 |
50 |
|
A |
3 |
2 |
6406 |
◊ |
[HEM]D:150 |
x-1,y,z |
1_455 |
3 |
1 |
831 |
19.7 |
-0.3 |
0.749 |
0 |
0 |
0 |
0.002 |
35 |
51 |
|
[CA]B:110 |
1 |
1 |
85 |
◊ |
B |
x,y,z |
1_555 |
4 |
1 |
6375 |
18.4 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.017 |
36 |
52 |
|
[CA]B:108 |
1 |
1 |
85 |
◊ |
[HEM]A:150 |
-x,y-1/2,-z |
2_545 |
4 |
1 |
818 |
12.9 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.015 |
37 |
53 |
|
[HEM]B:150 |
1 |
1 |
825 |
◊ |
D |
-x+1,y-1/2,-z |
2_645 |
4 |
2 |
6388 |
11.2 |
-0.5 |
0.422 |
0 |
0 |
0 |
0.003 |
38 |
54 |
|
[CA]B:108 |
1 |
1 |
85 |
◊ |
[CA]A:108 |
-x,y-1/2,-z |
2_545 |
1 |
1 |
85 |
10.7 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.019 |
39 |
55 |
|
B |
3 |
1 |
6375 |
◊ |
[HEM]A:150 |
-x,y-1/2,-z |
2_545 |
3 |
1 |
818 |
10.5 |
-0.5 |
0.715 |
0 |
0 |
0 |
0.003 |
40 |
56 |
|
D |
1 |
1 |
6388 |
x |
D |
x,y,z-1 |
1_554 |
3 |
2 |
6388 |
7.6 |
-0.2 |
0.409 |
0 |
0 |
0 |
0.000 |
41 |
57 |
|
[CA]B:109 |
1 |
1 |
85 |
◊ |
[CA]D:108 |
-x+1,y-1/2,-z |
2_645 |
1 |
1 |
85 |
6.8 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.012 |
42 |
58 |
|
[HEM]B:150 |
1 |
1 |
825 |
f |
[CA]B:109 |
x,y,z |
1_555 |
1 |
1 |
85 |
6.2 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.010 |
43 |
59 |
|
C |
2 |
1 |
6297 |
◊ |
D |
-x+1,y-1/2,-z+1 |
2_646 |
1 |
1 |
6388 |
5.3 |
0.1 |
0.661 |
0 |
0 |
0 |
0.000 |
|