## |
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 |
79 |
22 |
4759 |
◊ |
A |
x,y,z |
1_555 |
80 |
20 |
4877 |
658.7 |
2.2 |
0.976 |
15 |
0 |
0 |
0.088 |
2 |
|
F |
79 |
21 |
4716 |
◊ |
E |
x,y,z |
1_555 |
78 |
20 |
4807 |
618.0 |
2.5 |
0.966 |
17 |
0 |
0 |
0.088 |
3 |
|
C |
81 |
21 |
4848 |
◊ |
B |
x,y,z |
1_555 |
78 |
20 |
4776 |
611.5 |
2.3 |
0.970 |
16 |
0 |
0 |
0.088 |
Average: |
629.4 |
2.3 |
0.971 |
16 |
0 |
0 |
0.088 |
2 |
4 |
|
[HEM]D:101 |
43 |
1 |
838 |
f |
D |
x,y,z |
1_555 |
65 |
26 |
4759 |
523.7 |
-19.0 |
0.515 |
3 |
0 |
0 |
0.767 |
5 |
|
[HEM]C:101 |
43 |
1 |
840 |
cf |
C |
x,y,z |
1_555 |
67 |
26 |
4848 |
518.3 |
-19.0 |
0.568 |
3 |
0 |
0 |
0.767 |
6 |
|
[HEM]A:101 |
43 |
1 |
833 |
f |
A |
x,y,z |
1_555 |
67 |
26 |
4877 |
517.0 |
-18.7 |
0.568 |
3 |
0 |
0 |
0.767 |
7 |
|
[HEM]E:101 |
43 |
1 |
833 |
f |
E |
x,y,z |
1_555 |
62 |
24 |
4807 |
510.6 |
-18.8 |
0.479 |
3 |
0 |
0 |
0.767 |
8 |
|
[HEM]B:101 |
43 |
1 |
837 |
f |
B |
x,y,z |
1_555 |
62 |
24 |
4776 |
508.0 |
-18.4 |
0.466 |
3 |
0 |
0 |
0.767 |
9 |
|
[HEM]F:101 |
43 |
1 |
835 |
f |
F |
x,y,z |
1_555 |
61 |
24 |
4716 |
503.5 |
-18.1 |
0.482 |
3 |
0 |
0 |
0.767 |
Average: |
513.5 |
-18.7 |
0.513 |
3 |
0 |
0 |
0.767 |
3 |
10 |
|
F |
42 |
15 |
4716 |
◊ |
D |
-x+1/2,y-1/2,-z+1 |
4_546 |
33 |
13 |
4759 |
399.1 |
-11.0 |
0.049 |
3 |
0 |
0 |
0.221 |
11 |
|
B |
41 |
15 |
4776 |
◊ |
A |
x,y,z |
1_555 |
39 |
12 |
4877 |
396.7 |
-11.0 |
0.061 |
1 |
0 |
0 |
0.221 |
12 |
|
C |
33 |
12 |
4848 |
◊ |
E |
-x+1/2,y-1/2,-z |
4_545 |
41 |
13 |
4807 |
390.5 |
-11.0 |
0.055 |
1 |
0 |
0 |
0.221 |
Average: |
395.4 |
-11.0 |
0.055 |
2 |
0 |
0 |
0.221 |
4 |
13 |
|
F |
25 |
10 |
4716 |
◊ |
E |
x,y-1,z |
1_545 |
23 |
10 |
4807 |
253.3 |
-3.6 |
0.442 |
0 |
0 |
0 |
0.000 |
5 |
14 |
|
E |
22 |
8 |
4807 |
◊ |
A |
x,y,z |
1_555 |
32 |
10 |
4877 |
251.1 |
-4.9 |
0.301 |
0 |
0 |
0 |
0.000 |
6 |
15 |
|
D |
23 |
9 |
4759 |
◊ |
C |
-x,y,-z |
2_555 |
19 |
8 |
4848 |
191.4 |
0.3 |
0.830 |
4 |
3 |
0 |
0.000 |
7 |
16 |
|
[PEG]B:102 |
7 |
1 |
258 |
f |
B |
x,y,z |
1_555 |
16 |
6 |
4776 |
118.8 |
2.0 |
0.295 |
2 |
0 |
0 |
0.000 |
8 |
17 |
|
[PEG]E:102 |
6 |
1 |
257 |
◊ |
E |
x,y,z |
1_555 |
15 |
5 |
4807 |
117.5 |
3.9 |
0.533 |
1 |
0 |
0 |
0.000 |
9 |
18 |
|
B |
12 |
7 |
4776 |
◊ |
A |
-x+1/2,y-1/2,-z |
4_545 |
13 |
7 |
4877 |
116.2 |
1.4 |
0.881 |
1 |
1 |
0 |
0.000 |
10 |
19 |
|
[HEM]C:101 |
10 |
1 |
840 |
◊ |
B |
x,y,z |
1_555 |
17 |
7 |
4776 |
105.5 |
-4.2 |
0.483 |
3 |
0 |
0 |
0.189 |
20 |
|
[HEM]A:101 |
10 |
1 |
833 |
◊ |
D |
x,y,z |
1_555 |
17 |
7 |
4759 |
104.6 |
-4.2 |
0.492 |
2 |
0 |
0 |
0.189 |
21 |
|
[HEM]F:101 |
10 |
1 |
835 |
◊ |
E |
x,y,z |
1_555 |
17 |
7 |
4807 |
103.5 |
-4.2 |
0.503 |
3 |
0 |
0 |
0.189 |
22 |
|
[HEM]B:101 |
10 |
1 |
837 |
◊ |
C |
x,y,z |
1_555 |
16 |
7 |
4848 |
102.9 |
-4.0 |
0.515 |
3 |
0 |
0 |
0.189 |
23 |
|
[HEM]D:101 |
10 |
1 |
838 |
◊ |
A |
x,y,z |
1_555 |
17 |
7 |
4877 |
102.0 |
-4.0 |
0.525 |
2 |
0 |
0 |
0.189 |
24 |
|
[HEM]E:101 |
10 |
1 |
833 |
◊ |
F |
x,y,z |
1_555 |
17 |
7 |
4716 |
100.4 |
-4.0 |
0.536 |
2 |
0 |
0 |
0.189 |
Average: |
103.2 |
-4.1 |
0.509 |
3 |
0 |
0 |
0.189 |
11 |
25 |
|
[PEG]B:102 |
5 |
1 |
258 |
◊ |
A |
x,y,z |
1_555 |
12 |
4 |
4877 |
81.4 |
2.2 |
0.465 |
0 |
0 |
0 |
0.000 |
12 |
26 |
|
C |
11 |
4 |
4848 |
◊ |
[PEG]E:102 |
-x+1/2,y-1/2,-z |
4_545 |
6 |
1 |
257 |
76.0 |
1.8 |
0.345 |
0 |
0 |
0 |
0.000 |
13 |
27 |
|
[SO4]D:102 |
5 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
15 |
6 |
4759 |
75.9 |
-10.6 |
0.830 |
1 |
0 |
0 |
0.163 |
14 |
28 |
|
C |
9 |
4 |
4848 |
◊ |
[HEM]E:101 |
-x+1/2,y-1/2,-z |
4_545 |
5 |
1 |
833 |
70.9 |
-1.8 |
0.595 |
0 |
0 |
0 |
0.032 |
15 |
29 |
|
[HEM]F:101 |
3 |
1 |
835 |
◊ |
D |
-x+1/2,y-1/2,-z+1 |
4_546 |
7 |
4 |
4759 |
69.1 |
-1.7 |
0.412 |
0 |
0 |
0 |
0.031 |
30 |
|
[HEM]B:101 |
4 |
1 |
837 |
◊ |
A |
x,y,z |
1_555 |
7 |
4 |
4877 |
68.2 |
-1.6 |
0.521 |
0 |
0 |
0 |
0.031 |
Average: |
68.6 |
-1.6 |
0.466 |
0 |
0 |
0 |
0.031 |
16 |
31 |
|
B |
11 |
3 |
4776 |
x |
B |
-x+1/2,y-1/2,-z |
4_545 |
9 |
3 |
4776 |
67.9 |
1.0 |
0.838 |
0 |
0 |
0 |
0.000 |
17 |
32 |
|
F |
11 |
5 |
4716 |
◊ |
[HEM]D:101 |
-x+1/2,y-1/2,-z+1 |
4_546 |
4 |
1 |
838 |
58.9 |
-1.9 |
0.492 |
0 |
0 |
0 |
0.034 |
33 |
|
[HEM]C:101 |
3 |
1 |
840 |
◊ |
E |
-x+1/2,y-1/2,-z |
4_545 |
10 |
4 |
4807 |
57.8 |
-1.8 |
0.422 |
0 |
0 |
0 |
0.034 |
34 |
|
[HEM]A:101 |
4 |
1 |
833 |
◊ |
B |
x,y,z |
1_555 |
10 |
4 |
4776 |
51.5 |
-1.8 |
0.478 |
0 |
0 |
0 |
0.034 |
Average: |
56.1 |
-1.8 |
0.464 |
0 |
0 |
0 |
0.034 |
18 |
35 |
|
C |
7 |
4 |
4848 |
◊ |
B |
-x,y,-z |
2_555 |
3 |
2 |
4776 |
49.7 |
0.3 |
0.592 |
0 |
0 |
0 |
0.000 |
19 |
36 |
|
[SO4]D:102 |
4 |
1 |
185 |
◊ |
C |
-x,y,-z |
2_555 |
7 |
3 |
4848 |
43.4 |
-5.7 |
0.747 |
0 |
0 |
0 |
0.000 |
20 |
37 |
|
F |
3 |
2 |
4716 |
◊ |
E |
-x+1/2,y-1/2,-z+1 |
4_546 |
6 |
2 |
4807 |
38.9 |
-0.4 |
0.380 |
0 |
0 |
0 |
0.000 |
21 |
38 |
|
D |
3 |
1 |
4759 |
◊ |
F |
x-1/2,y+1/2,z |
3_455 |
8 |
3 |
4716 |
37.0 |
-0.3 |
0.529 |
0 |
0 |
0 |
0.000 |
22 |
39 |
|
C |
4 |
2 |
4848 |
◊ |
A |
-x+1/2,y-1/2,-z |
4_545 |
4 |
4 |
4877 |
32.4 |
-1.0 |
0.378 |
0 |
0 |
0 |
0.000 |
23 |
40 |
|
[HEM]C:101 |
3 |
1 |
840 |
◊ |
[HEM]B:101 |
x,y,z |
1_555 |
3 |
1 |
837 |
32.4 |
-3.0 |
0.350 |
0 |
0 |
0 |
0.052 |
41 |
|
[HEM]F:101 |
3 |
1 |
835 |
◊ |
[HEM]E:101 |
x,y,z |
1_555 |
3 |
1 |
833 |
31.9 |
-2.9 |
0.356 |
0 |
0 |
0 |
0.052 |
42 |
|
[HEM]D:101 |
3 |
1 |
838 |
◊ |
[HEM]A:101 |
x,y,z |
1_555 |
3 |
1 |
833 |
31.6 |
-2.9 |
0.355 |
0 |
0 |
0 |
0.052 |
Average: |
31.9 |
-2.9 |
0.354 |
0 |
0 |
0 |
0.052 |
24 |
43 |
|
B |
1 |
1 |
4776 |
◊ |
A |
x,y-1,z |
1_545 |
1 |
1 |
4877 |
26.2 |
-0.8 |
0.114 |
0 |
0 |
0 |
0.000 |
25 |
44 |
|
[SO4]D:102 |
3 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
4877 |
20.9 |
-2.9 |
0.538 |
0 |
0 |
0 |
0.040 |
26 |
45 |
|
[HEM]F:101 |
3 |
1 |
835 |
◊ |
[HEM]D:101 |
-x+1/2,y-1/2,-z+1 |
4_546 |
2 |
1 |
838 |
20.7 |
-0.7 |
0.761 |
0 |
0 |
0 |
0.011 |
46 |
|
[HEM]B:101 |
2 |
1 |
837 |
◊ |
[HEM]A:101 |
x,y,z |
1_555 |
2 |
1 |
833 |
18.3 |
-0.6 |
0.699 |
0 |
0 |
0 |
0.011 |
47 |
|
[HEM]C:101 |
2 |
1 |
840 |
◊ |
[HEM]E:101 |
-x+1/2,y-1/2,-z |
4_545 |
3 |
1 |
833 |
16.7 |
-0.5 |
0.797 |
0 |
0 |
0 |
0.011 |
Average: |
18.6 |
-0.6 |
0.752 |
0 |
0 |
0 |
0.011 |
27 |
48 |
|
F |
2 |
1 |
4716 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
4877 |
12.5 |
0.2 |
0.787 |
0 |
0 |
0 |
0.000 |
28 |
49 |
|
C |
4 |
3 |
4848 |
◊ |
A |
-x,y,-z |
2_555 |
3 |
2 |
4877 |
12.1 |
-0.4 |
0.551 |
0 |
0 |
0 |
0.000 |
29 |
50 |
|
F |
3 |
1 |
4716 |
f |
[PEG]E:102 |
x,y-1,z |
1_545 |
1 |
1 |
257 |
6.3 |
-0.1 |
0.323 |
0 |
0 |
0 |
0.002 |
30 |
51 |
|
E |
1 |
1 |
4807 |
◊ |
D |
x,y,z |
1_555 |
1 |
1 |
4759 |
3.1 |
-0.1 |
0.443 |
0 |
0 |
0 |
0.000 |
31 |
52 |
|
D |
2 |
1 |
4759 |
◊ |
E |
-x+1/2,y-1/2,-z+1 |
4_546 |
1 |
1 |
4807 |
2.8 |
0.0 |
0.685 |
0 |
0 |
0 |
0.000 |
|