| ## |
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 |
77 |
18 |
11266 |
◊ |
A |
x,y,z |
1_555 |
63 |
17 |
11150 |
716.4 |
-13.1 |
0.019 |
2 |
0 |
0 |
0.148 |
2 |
|
B |
68 |
17 |
11186 |
◊ |
C |
-x+1/2,y-1/2,-z+1 |
4_546 |
78 |
20 |
11161 |
704.3 |
-12.0 |
0.031 |
2 |
0 |
0 |
0.148 |
| Average: |
710.3 |
-12.6 |
0.025 |
2 |
0 |
0 |
0.148 |
| 2 |
3 |
|
C |
73 |
15 |
11161 |
◊ |
D |
x-1/2,y+1/2,z |
3_455 |
75 |
15 |
11266 |
661.9 |
-8.2 |
0.154 |
9 |
0 |
0 |
0.059 |
| 3 |
4 |
|
B |
77 |
14 |
11186 |
◊ |
A |
-x,y,-z |
2_555 |
81 |
15 |
11150 |
651.7 |
-7.1 |
0.185 |
8 |
0 |
0 |
0.052 |
| 4 |
5 |
|
[HEM]C:200 |
43 |
1 |
830 |
f |
C |
x,y,z |
1_555 |
83 |
32 |
11161 |
635.4 |
-25.0 |
0.120 |
5 |
0 |
0 |
0.614 |
6 |
|
[HEM]A:200 |
43 |
1 |
814 |
f |
A |
x,y,z |
1_555 |
85 |
33 |
11150 |
621.9 |
-24.9 |
0.097 |
4 |
0 |
0 |
0.614 |
7 |
|
[HEM]B:200 |
43 |
1 |
814 |
f |
B |
x,y,z |
1_555 |
85 |
33 |
11186 |
619.0 |
-24.6 |
0.105 |
4 |
0 |
0 |
0.614 |
8 |
|
[HEM]D:200 |
43 |
1 |
822 |
f |
D |
x,y,z |
1_555 |
78 |
30 |
11266 |
618.4 |
-24.0 |
0.147 |
5 |
0 |
0 |
0.614 |
| Average: |
623.7 |
-24.6 |
0.117 |
5 |
0 |
0 |
0.614 |
| 5 |
9 |
|
B |
31 |
9 |
11186 |
◊ |
A |
-x+1,y,-z+1 |
2_656 |
34 |
10 |
11150 |
293.0 |
1.9 |
0.755 |
9 |
0 |
0 |
0.010 |
| 6 |
10 |
|
D |
33 |
9 |
11266 |
◊ |
D |
-x,y,-z |
2_555 |
33 |
9 |
11266 |
291.9 |
1.5 |
0.747 |
10 |
0 |
0 |
0.000 |
| 7 |
11 |
|
D |
31 |
9 |
11266 |
◊ |
B |
-x+1/2,y-1/2,-z+1 |
4_546 |
32 |
9 |
11186 |
278.1 |
0.7 |
0.671 |
4 |
2 |
0 |
0.026 |
12 |
|
C |
31 |
9 |
11161 |
◊ |
A |
x,y,z |
1_555 |
27 |
9 |
11150 |
274.5 |
1.1 |
0.691 |
7 |
2 |
0 |
0.026 |
| Average: |
276.3 |
0.9 |
0.681 |
6 |
2 |
0 |
0.026 |
| 8 |
13 |
|
B |
22 |
6 |
11186 |
◊ |
A |
x,y,z |
1_555 |
27 |
10 |
11150 |
221.0 |
0.2 |
0.603 |
0 |
1 |
0 |
0.000 |
| 9 |
14 |
|
D |
22 |
7 |
11266 |
◊ |
C |
-x+1/2,y-1/2,-z+1 |
4_546 |
20 |
7 |
11161 |
187.1 |
2.0 |
0.762 |
0 |
0 |
0 |
0.000 |
| 10 |
15 |
|
D |
12 |
5 |
11266 |
◊ |
C |
-x+1/2,y-1/2,-z |
4_545 |
19 |
6 |
11161 |
154.4 |
1.2 |
0.743 |
0 |
0 |
0 |
0.000 |
| 11 |
16 |
|
B |
16 |
7 |
11186 |
◊ |
B |
-x+1,y,-z+2 |
2_657 |
16 |
7 |
11186 |
140.6 |
2.0 |
0.810 |
2 |
0 |
0 |
0.000 |
| 12 |
17 |
|
[SO4]D:497 |
5 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
24 |
7 |
11266 |
118.0 |
-18.7 |
0.555 |
1 |
0 |
0 |
0.181 |
| 13 |
18 |
|
[SO4]A:494 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
24 |
8 |
11150 |
116.7 |
-19.2 |
0.518 |
1 |
0 |
0 |
0.217 |
| 14 |
19 |
|
[SO4]B:496 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
25 |
8 |
11186 |
112.8 |
-19.2 |
0.523 |
0 |
0 |
0 |
0.220 |
| 15 |
20 |
|
C |
11 |
5 |
11161 |
◊ |
C |
-x+1,y,-z+1 |
2_656 |
11 |
5 |
11161 |
106.9 |
0.8 |
0.724 |
4 |
0 |
0 |
0.000 |
| 16 |
21 |
|
D |
9 |
2 |
11266 |
◊ |
B |
x,y,z |
1_555 |
13 |
4 |
11186 |
104.6 |
-2.3 |
0.162 |
0 |
0 |
0 |
0.000 |
| 17 |
22 |
|
C |
10 |
5 |
11161 |
◊ |
B |
x,y,z |
1_555 |
10 |
6 |
11186 |
88.9 |
2.5 |
0.883 |
1 |
2 |
0 |
0.000 |
| 18 |
23 |
|
[OXY]C:495 |
2 |
1 |
124 |
f |
C |
x,y,z |
1_555 |
10 |
5 |
11161 |
56.4 |
0.9 |
0.799 |
2 |
0 |
0 |
0.000 |
| 19 |
24 |
|
[OXY]B:494 |
2 |
1 |
124 |
f |
B |
x,y,z |
1_555 |
10 |
5 |
11186 |
55.8 |
0.8 |
0.775 |
2 |
0 |
0 |
0.001 |
| 20 |
25 |
|
[CL]B:495 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
14 |
5 |
11186 |
55.5 |
-6.7 |
0.000 |
0 |
0 |
0 |
0.149 |
26 |
|
[CL]C:496 |
1 |
1 |
125 |
◊ |
C |
x,y,z |
1_555 |
14 |
4 |
11161 |
52.8 |
-6.8 |
0.000 |
0 |
0 |
0 |
0.149 |
27 |
|
[CL]C:496 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
10 |
5 |
11150 |
51.6 |
-6.7 |
0.000 |
0 |
0 |
0 |
0.149 |
28 |
|
D |
11 |
5 |
11266 |
◊ |
[CL]B:495 |
-x+1/2,y-1/2,-z+1 |
4_546 |
1 |
1 |
125 |
51.1 |
-6.1 |
0.000 |
0 |
0 |
0 |
0.149 |
| Average: |
52.7 |
-6.6 |
0.000 |
0 |
0 |
0 |
0.149 |
| 21 |
29 |
|
[OXY]D:496 |
2 |
1 |
124 |
f |
D |
x,y,z |
1_555 |
10 |
5 |
11266 |
55.3 |
0.9 |
0.817 |
2 |
0 |
0 |
0.000 |
| 22 |
30 |
|
[OXY]A:493 |
2 |
1 |
123 |
f |
A |
x,y,z |
1_555 |
9 |
5 |
11150 |
53.8 |
0.8 |
0.763 |
2 |
0 |
0 |
0.001 |
| 23 |
31 |
|
A |
6 |
3 |
11150 |
◊ |
B |
x,y,z-1 |
1_554 |
8 |
3 |
11186 |
50.9 |
0.9 |
0.684 |
1 |
1 |
0 |
0.000 |
| 24 |
32 |
|
[OXY]C:495 |
2 |
1 |
124 |
cf |
[HEM]C:200 |
x,y,z |
1_555 |
17 |
1 |
830 |
41.7 |
-0.4 |
1.000 |
0 |
0 |
0 |
0.005 |
| 25 |
33 |
|
[OXY]D:496 |
2 |
1 |
124 |
cf |
[HEM]D:200 |
x,y,z |
1_555 |
17 |
1 |
822 |
41.5 |
-0.4 |
1.000 |
0 |
0 |
0 |
0.004 |
| 26 |
34 |
|
[OXY]B:494 |
2 |
1 |
124 |
cf |
[HEM]B:200 |
x,y,z |
1_555 |
15 |
1 |
814 |
40.9 |
-0.4 |
1.000 |
0 |
0 |
0 |
0.005 |
| 27 |
35 |
|
[OXY]A:493 |
2 |
1 |
123 |
cf |
[HEM]A:200 |
x,y,z |
1_555 |
15 |
1 |
814 |
40.0 |
-0.4 |
1.000 |
0 |
0 |
0 |
0.004 |
| 28 |
36 |
|
D |
8 |
4 |
11266 |
◊ |
A |
-x+1/2,y-1/2,-z |
4_545 |
4 |
2 |
11150 |
38.8 |
1.3 |
0.819 |
1 |
1 |
0 |
0.000 |
| 29 |
37 |
|
[HEM]D:200 |
1 |
1 |
822 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
11150 |
16.4 |
-0.5 |
0.254 |
0 |
0 |
0 |
0.005 |
38 |
|
B |
1 |
1 |
11186 |
◊ |
[HEM]C:200 |
-x+1/2,y-1/2,-z+1 |
4_546 |
1 |
1 |
830 |
10.4 |
-0.3 |
0.336 |
0 |
0 |
0 |
0.005 |
| Average: |
13.4 |
-0.4 |
0.295 |
0 |
0 |
0 |
0.005 |
| 30 |
39 |
|
A |
1 |
1 |
11150 |
◊ |
A |
-x+1,y,-z+1 |
2_656 |
1 |
1 |
11150 |
8.4 |
0.3 |
0.840 |
0 |
0 |
0 |
0.000 |
| 31 |
40 |
|
[HEM]B:200 |
1 |
1 |
814 |
◊ |
C |
-x+1/2,y-1/2,-z+1 |
4_546 |
1 |
1 |
11161 |
7.8 |
-0.2 |
0.436 |
0 |
0 |
0 |
0.003 |
41 |
|
[HEM]A:200 |
1 |
1 |
814 |
◊ |
D |
x,y,z |
1_555 |
1 |
1 |
11266 |
4.2 |
-0.1 |
0.573 |
0 |
0 |
0 |
0.003 |
| Average: |
6.0 |
-0.2 |
0.504 |
0 |
0 |
0 |
0.003 |
| 32 |
42 |
|
A |
2 |
2 |
11150 |
◊ |
C |
-x+1/2,y-1/2,-z |
4_545 |
2 |
2 |
11161 |
5.8 |
0.1 |
0.625 |
0 |
0 |
0 |
0.000 |
|