| ## |
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 |
|
F |
93 |
23 |
8591 |
◊ |
E |
x,y,z |
1_555 |
96 |
23 |
8577 |
879.6 |
-7.7 |
0.344 |
12 |
14 |
0 |
0.170 |
2 |
|
D |
99 |
24 |
8544 |
◊ |
C |
x,y,z |
1_555 |
95 |
25 |
8521 |
870.9 |
-7.6 |
0.374 |
12 |
14 |
0 |
0.170 |
3 |
|
B |
97 |
24 |
8576 |
◊ |
A |
x,y,z |
1_555 |
93 |
24 |
8525 |
868.6 |
-7.5 |
0.377 |
12 |
14 |
0 |
0.170 |
| Average: |
873.0 |
-7.6 |
0.365 |
12 |
14 |
0 |
0.170 |
| 2 |
4 |
|
C |
70 |
18 |
8521 |
x |
B |
x,y,z |
1_555 |
67 |
20 |
8576 |
638.4 |
-5.3 |
0.439 |
5 |
0 |
0 |
0.188 |
5 |
|
E |
67 |
16 |
8577 |
x |
E |
-y-1,x,z |
3_455 |
63 |
19 |
8577 |
638.0 |
-6.0 |
0.353 |
5 |
0 |
0 |
0.188 |
6 |
|
A |
65 |
19 |
8525 |
x |
A |
-y-1,x,z |
3_455 |
60 |
15 |
8525 |
636.2 |
-5.6 |
0.374 |
4 |
0 |
0 |
0.188 |
7 |
|
B |
63 |
15 |
8576 |
x |
D |
-y-1,x,z |
3_455 |
67 |
20 |
8544 |
633.5 |
-5.7 |
0.398 |
6 |
0 |
0 |
0.188 |
8 |
|
F |
66 |
20 |
8591 |
x |
D |
-y-1,x,z |
3_455 |
63 |
15 |
8544 |
632.5 |
-5.7 |
0.369 |
6 |
0 |
0 |
0.188 |
9 |
|
F |
65 |
16 |
8591 |
x |
C |
x,y,z |
1_555 |
67 |
20 |
8521 |
626.1 |
-5.8 |
0.383 |
6 |
0 |
0 |
0.188 |
| Average: |
634.1 |
-5.7 |
0.386 |
5 |
0 |
0 |
0.188 |
| 3 |
10 |
|
E |
48 |
13 |
8577 |
◊ |
C |
x,y,z |
1_555 |
59 |
15 |
8521 |
469.1 |
-4.6 |
0.412 |
7 |
8 |
0 |
0.220 |
11 |
|
A |
61 |
16 |
8525 |
◊ |
B |
-y-1,x,z |
3_455 |
47 |
14 |
8576 |
468.3 |
-5.0 |
0.384 |
8 |
9 |
0 |
0.220 |
12 |
|
F |
60 |
15 |
8591 |
◊ |
C |
-y-1,x,z |
3_455 |
42 |
11 |
8521 |
467.4 |
-3.4 |
0.506 |
7 |
8 |
0 |
0.220 |
13 |
|
D |
45 |
13 |
8544 |
◊ |
B |
x,y,z |
1_555 |
58 |
15 |
8576 |
464.4 |
-3.5 |
0.511 |
7 |
9 |
0 |
0.220 |
14 |
|
A |
46 |
14 |
8525 |
◊ |
D |
-y-1,x,z |
3_455 |
57 |
15 |
8544 |
461.4 |
-3.7 |
0.494 |
8 |
9 |
0 |
0.220 |
15 |
|
F |
44 |
13 |
8591 |
◊ |
E |
-y-1,x,z |
3_455 |
58 |
16 |
8577 |
458.9 |
-4.3 |
0.394 |
7 |
9 |
0 |
0.220 |
| Average: |
464.9 |
-4.1 |
0.450 |
7 |
9 |
0 |
0.220 |
| 4 |
16 |
|
[HEM]C:301 |
36 |
1 |
828 |
f |
C |
x,y,z |
1_555 |
46 |
11 |
8521 |
352.3 |
-10.3 |
0.545 |
1 |
0 |
0 |
0.127 |
17 |
|
[HEM]B:301 |
35 |
1 |
815 |
f |
B |
x,y,z |
1_555 |
45 |
11 |
8576 |
349.7 |
-11.4 |
0.501 |
0 |
0 |
0 |
0.127 |
| Average: |
351.0 |
-10.8 |
0.523 |
1 |
0 |
0 |
0.127 |
| 5 |
18 |
|
[HEM]B:301 |
36 |
1 |
815 |
◊ |
A |
x,y,z |
1_555 |
43 |
11 |
8525 |
347.6 |
-9.8 |
0.550 |
1 |
0 |
0 |
0.114 |
19 |
|
[HEM]C:301 |
35 |
1 |
828 |
◊ |
D |
x,y,z |
1_555 |
42 |
11 |
8544 |
346.8 |
-9.9 |
0.532 |
1 |
0 |
0 |
0.114 |
| Average: |
347.2 |
-9.9 |
0.541 |
1 |
0 |
0 |
0.114 |
| 6 |
20 |
|
[HEM]E:301 |
38 |
1 |
820 |
f |
E |
x,y,z |
1_555 |
48 |
11 |
8577 |
339.1 |
-9.6 |
0.556 |
1 |
0 |
0 |
0.114 |
| 7 |
21 |
|
[HEM]E:301 |
37 |
1 |
820 |
◊ |
F |
x,y,z |
1_555 |
43 |
11 |
8591 |
327.3 |
-8.8 |
0.563 |
0 |
0 |
0 |
0.099 |
| 8 |
22 |
|
E |
18 |
5 |
8577 |
◊ |
B |
-x-1/2,-y-1/2,z-1/2 |
6_444 |
17 |
5 |
8576 |
154.1 |
0.1 |
0.702 |
0 |
0 |
0 |
0.000 |
| 9 |
23 |
|
E |
12 |
3 |
8577 |
◊ |
A |
-x-1/2,-y-1/2,z-1/2 |
6_444 |
10 |
4 |
8525 |
107.7 |
0.9 |
0.732 |
5 |
0 |
0 |
0.000 |
24 |
|
F |
11 |
4 |
8591 |
◊ |
B |
-x-1/2,-y-1/2,z-1/2 |
6_444 |
10 |
3 |
8576 |
104.4 |
0.5 |
0.721 |
5 |
0 |
0 |
0.000 |
| Average: |
106.1 |
0.7 |
0.727 |
5 |
0 |
0 |
0.000 |
| 10 |
25 |
|
A |
9 |
3 |
8525 |
◊ |
A |
-x-1,-y-1,z |
2_445 |
9 |
3 |
8525 |
82.0 |
2.4 |
0.942 |
2 |
0 |
0 |
0.000 |
26 |
|
E |
9 |
3 |
8577 |
◊ |
E |
-x-1,-y-1,z |
2_445 |
9 |
3 |
8577 |
77.6 |
2.0 |
0.914 |
4 |
0 |
0 |
0.000 |
27 |
|
C |
8 |
3 |
8521 |
◊ |
D |
-y-1,x,z |
3_455 |
10 |
3 |
8544 |
74.3 |
2.5 |
0.949 |
2 |
0 |
0 |
0.000 |
28 |
|
F |
9 |
3 |
8591 |
◊ |
B |
x,y,z |
1_555 |
8 |
3 |
8576 |
71.6 |
2.4 |
0.944 |
2 |
0 |
0 |
0.000 |
| Average: |
76.4 |
2.3 |
0.937 |
3 |
0 |
0 |
0.000 |
| 11 |
29 |
|
[FE]D:202 |
1 |
1 |
137 |
f |
D |
x,y,z |
1_555 |
9 |
7 |
8544 |
70.0 |
-11.6 |
0.000 |
0 |
0 |
0 |
0.286 |
30 |
|
[FE]F:202 |
1 |
1 |
137 |
f |
F |
x,y,z |
1_555 |
14 |
9 |
8591 |
68.7 |
-11.3 |
0.000 |
0 |
0 |
0 |
0.286 |
31 |
|
[FE]E:202 |
1 |
1 |
137 |
f |
E |
x,y,z |
1_555 |
12 |
7 |
8577 |
67.4 |
-11.6 |
0.000 |
0 |
0 |
0 |
0.286 |
32 |
|
[FE]B:202 |
1 |
1 |
137 |
f |
B |
x,y,z |
1_555 |
13 |
8 |
8576 |
65.9 |
-11.3 |
0.000 |
0 |
0 |
0 |
0.286 |
33 |
|
[FE]A:202 |
1 |
1 |
137 |
f |
A |
x,y,z |
1_555 |
9 |
7 |
8525 |
64.4 |
-11.5 |
0.000 |
0 |
0 |
0 |
0.286 |
34 |
|
[FE]C:202 |
1 |
1 |
137 |
f |
C |
x,y,z |
1_555 |
10 |
7 |
8521 |
64.3 |
-11.6 |
0.000 |
0 |
0 |
0 |
0.286 |
| Average: |
66.8 |
-11.5 |
0.000 |
0 |
0 |
0 |
0.286 |
| 12 |
35 |
|
C |
7 |
2 |
8521 |
◊ |
C |
-x,-y-1,z |
2_545 |
7 |
2 |
8521 |
64.0 |
-1.3 |
0.313 |
0 |
0 |
0 |
0.000 |
| 13 |
36 |
|
[FE]E:201 |
1 |
1 |
137 |
f |
E |
x,y,z |
1_555 |
10 |
6 |
8577 |
61.9 |
-11.6 |
0.000 |
0 |
0 |
0 |
0.287 |
37 |
|
[FE]A:201 |
1 |
1 |
137 |
f |
A |
x,y,z |
1_555 |
9 |
6 |
8525 |
59.9 |
-11.5 |
0.000 |
0 |
0 |
0 |
0.287 |
38 |
|
[FE]F:201 |
1 |
1 |
137 |
f |
F |
x,y,z |
1_555 |
8 |
6 |
8591 |
59.8 |
-11.4 |
0.000 |
0 |
0 |
0 |
0.287 |
39 |
|
[FE]B:201 |
1 |
1 |
137 |
f |
B |
x,y,z |
1_555 |
7 |
6 |
8576 |
59.5 |
-11.2 |
0.000 |
0 |
0 |
0 |
0.287 |
40 |
|
[FE]D:201 |
1 |
1 |
137 |
f |
D |
x,y,z |
1_555 |
5 |
4 |
8544 |
59.1 |
-11.8 |
0.000 |
0 |
0 |
0 |
0.287 |
41 |
|
[FE]C:201 |
1 |
1 |
137 |
f |
C |
x,y,z |
1_555 |
3 |
3 |
8521 |
57.7 |
-11.5 |
0.000 |
0 |
0 |
0 |
0.287 |
| Average: |
59.6 |
-11.5 |
0.000 |
0 |
0 |
0 |
0.287 |
| 14 |
42 |
|
D |
7 |
3 |
8544 |
◊ |
D |
-x,-y-1,z |
2_545 |
7 |
3 |
8544 |
56.5 |
-0.8 |
0.441 |
0 |
0 |
0 |
0.000 |
| 15 |
43 |
|
[NA]B:173 |
1 |
1 |
125 |
◊ |
C |
x,y,z |
1_555 |
6 |
4 |
8521 |
39.1 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.069 |
44 |
|
[NA]B:173 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
5 |
4 |
8576 |
36.3 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.069 |
45 |
|
[NA]B:173 |
1 |
1 |
125 |
◊ |
F |
x,y,z |
1_555 |
5 |
4 |
8591 |
35.8 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.069 |
46 |
|
[NA]B:173 |
1 |
1 |
125 |
◊ |
D |
-y-1,x,z |
3_455 |
5 |
4 |
8544 |
35.4 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.069 |
| Average: |
36.7 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.069 |
| 16 |
47 |
|
[FE]B:202 |
1 |
1 |
137 |
f |
[FE]B:201 |
x,y,z |
1_555 |
1 |
1 |
137 |
24.6 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.054 |
| 17 |
48 |
|
[FE]F:202 |
1 |
1 |
137 |
f |
[FE]F:201 |
x,y,z |
1_555 |
1 |
1 |
137 |
23.0 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.052 |
| 18 |
49 |
|
[FE]C:202 |
1 |
1 |
137 |
f |
[FE]C:201 |
x,y,z |
1_555 |
1 |
1 |
137 |
22.6 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.050 |
| 19 |
50 |
|
[FE]A:202 |
1 |
1 |
137 |
f |
[FE]A:201 |
x,y,z |
1_555 |
1 |
1 |
137 |
22.2 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.048 |
| 20 |
51 |
|
[FE]E:202 |
1 |
1 |
137 |
f |
[FE]E:201 |
x,y,z |
1_555 |
1 |
1 |
137 |
21.5 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.048 |
| 21 |
52 |
|
[FE]D:202 |
1 |
1 |
137 |
f |
[FE]D:201 |
x,y,z |
1_555 |
1 |
1 |
137 |
20.8 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.045 |
|