## |
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 |
|
E |
71 |
24 |
20008 |
◊ |
D |
x,y,z |
1_555 |
63 |
18 |
20101 |
662.7 |
-9.5 |
0.161 |
4 |
2 |
0 |
0.228 |
2 |
|
F |
65 |
16 |
19967 |
◊ |
D |
x,y,z |
1_555 |
71 |
24 |
20101 |
651.8 |
-9.5 |
0.165 |
5 |
2 |
0 |
0.228 |
3 |
|
F |
68 |
20 |
19967 |
◊ |
E |
x,y,z |
1_555 |
53 |
17 |
20008 |
595.2 |
-9.8 |
0.111 |
7 |
3 |
0 |
0.228 |
4 |
|
C |
54 |
14 |
19546 |
◊ |
A |
x,y,z |
1_555 |
58 |
19 |
19841 |
566.8 |
-10.6 |
0.070 |
3 |
1 |
0 |
0.228 |
5 |
|
B |
69 |
22 |
19746 |
◊ |
A |
x,y,z |
1_555 |
53 |
15 |
19841 |
559.1 |
-9.8 |
0.113 |
2 |
1 |
0 |
0.228 |
6 |
|
C |
66 |
20 |
19546 |
◊ |
B |
x,y,z |
1_555 |
53 |
14 |
19746 |
525.6 |
-8.6 |
0.196 |
5 |
1 |
0 |
0.228 |
Average: |
593.5 |
-9.6 |
0.136 |
4 |
2 |
0 |
0.228 |
2 |
7 |
|
D |
66 |
22 |
20101 |
◊ |
F |
-x,y-1/2,-z-1/2 |
3_544 |
72 |
19 |
19967 |
650.5 |
-1.0 |
0.679 |
6 |
2 |
0 |
0.000 |
3 |
8 |
|
[HEM]C:501 |
43 |
1 |
806 |
f |
C |
x,y,z |
1_555 |
85 |
35 |
19546 |
576.2 |
-22.4 |
0.328 |
7 |
0 |
0 |
0.481 |
9 |
|
[HEM]A:501 |
42 |
1 |
817 |
f |
A |
x,y,z |
1_555 |
84 |
36 |
19841 |
574.2 |
-22.6 |
0.266 |
7 |
0 |
0 |
0.481 |
10 |
|
[HEM]B:501 |
43 |
1 |
821 |
f |
B |
x,y,z |
1_555 |
82 |
35 |
19746 |
571.7 |
-21.8 |
0.363 |
7 |
0 |
0 |
0.481 |
11 |
|
[HEM]D:501 |
43 |
1 |
813 |
f |
D |
x,y,z |
1_555 |
82 |
35 |
20101 |
571.0 |
-22.3 |
0.283 |
7 |
0 |
0 |
0.481 |
12 |
|
[HEM]E:501 |
43 |
1 |
820 |
f |
E |
x,y,z |
1_555 |
79 |
34 |
20008 |
567.2 |
-22.8 |
0.259 |
6 |
0 |
0 |
0.481 |
13 |
|
[HEM]F:501 |
43 |
1 |
816 |
f |
F |
x,y,z |
1_555 |
90 |
34 |
19967 |
562.6 |
-20.6 |
0.511 |
9 |
0 |
0 |
0.481 |
Average: |
570.5 |
-22.1 |
0.335 |
7 |
0 |
0 |
0.481 |
4 |
14 |
|
C |
55 |
13 |
19546 |
◊ |
B |
-x+1,y-1/2,-z-1/2 |
3_644 |
60 |
19 |
19746 |
552.5 |
0.2 |
0.860 |
6 |
7 |
0 |
0.000 |
5 |
15 |
|
B |
52 |
11 |
19746 |
◊ |
A |
-x+1/2,-y,z-1/2 |
2_554 |
58 |
19 |
19841 |
515.4 |
-4.8 |
0.457 |
4 |
4 |
0 |
0.000 |
6 |
16 |
|
D |
44 |
17 |
20101 |
◊ |
B |
-x+1,y-1/2,-z-1/2 |
3_644 |
47 |
12 |
19746 |
445.4 |
-0.2 |
0.797 |
6 |
2 |
0 |
0.000 |
7 |
17 |
|
D |
46 |
20 |
20101 |
◊ |
C |
x,y,z |
1_555 |
52 |
23 |
19546 |
442.7 |
-5.1 |
0.372 |
2 |
0 |
0 |
0.045 |
18 |
|
F |
47 |
20 |
19967 |
◊ |
A |
x,y,z |
1_555 |
51 |
22 |
19841 |
414.3 |
-3.2 |
0.496 |
2 |
2 |
0 |
0.045 |
19 |
|
E |
43 |
17 |
20008 |
◊ |
B |
x,y,z |
1_555 |
42 |
16 |
19746 |
373.1 |
-3.5 |
0.471 |
2 |
1 |
0 |
0.045 |
Average: |
410.1 |
-3.9 |
0.446 |
2 |
1 |
0 |
0.045 |
8 |
20 |
|
[CL6]A:502 |
21 |
1 |
518 |
f |
A |
x,y,z |
1_555 |
49 |
20 |
19841 |
338.8 |
-12.2 |
0.198 |
0 |
0 |
0 |
0.228 |
21 |
|
[CL6]F:502 |
20 |
1 |
509 |
f |
F |
x,y,z |
1_555 |
47 |
20 |
19967 |
338.2 |
-12.0 |
0.174 |
0 |
0 |
0 |
0.228 |
22 |
|
[CL6]E:502 |
20 |
1 |
510 |
f |
E |
x,y,z |
1_555 |
48 |
21 |
20008 |
337.9 |
-12.1 |
0.190 |
0 |
0 |
0 |
0.228 |
23 |
|
[CL6]C:502 |
20 |
1 |
515 |
f |
C |
x,y,z |
1_555 |
46 |
20 |
19546 |
336.9 |
-12.0 |
0.197 |
0 |
0 |
0 |
0.228 |
24 |
|
[CL6]B:502 |
21 |
1 |
508 |
f |
B |
x,y,z |
1_555 |
45 |
20 |
19746 |
331.8 |
-11.7 |
0.180 |
0 |
0 |
0 |
0.228 |
25 |
|
[CL6]D:502 |
20 |
1 |
515 |
f |
D |
x,y,z |
1_555 |
44 |
20 |
20101 |
329.9 |
-11.7 |
0.165 |
0 |
0 |
0 |
0.228 |
Average: |
335.6 |
-11.9 |
0.184 |
0 |
0 |
0 |
0.228 |
9 |
26 |
|
E |
38 |
13 |
20008 |
◊ |
A |
-x+1/2,-y,z-1/2 |
2_554 |
37 |
9 |
19841 |
322.7 |
-2.0 |
0.551 |
4 |
1 |
0 |
0.000 |
10 |
27 |
|
C |
22 |
6 |
19546 |
x |
C |
x-1/2,-y-1/2,-z |
4_445 |
22 |
6 |
19546 |
200.8 |
-1.6 |
0.547 |
1 |
0 |
0 |
0.000 |
11 |
28 |
|
F |
19 |
5 |
19967 |
◊ |
B |
x-1,y,z |
1_455 |
15 |
4 |
19746 |
144.3 |
-1.5 |
0.396 |
1 |
0 |
0 |
0.000 |
12 |
29 |
|
[CL6]D:502 |
11 |
1 |
515 |
f |
[HEM]D:501 |
x,y,z |
1_555 |
35 |
1 |
813 |
123.9 |
-4.3 |
0.981 |
0 |
0 |
0 |
0.077 |
30 |
|
[CL6]F:502 |
11 |
1 |
509 |
f |
[HEM]F:501 |
x,y,z |
1_555 |
33 |
1 |
816 |
122.6 |
-4.3 |
0.979 |
0 |
0 |
0 |
0.077 |
31 |
|
[CL6]C:502 |
11 |
1 |
515 |
f |
[HEM]C:501 |
x,y,z |
1_555 |
34 |
1 |
806 |
122.6 |
-4.2 |
0.979 |
0 |
0 |
0 |
0.077 |
32 |
|
[CL6]B:502 |
11 |
1 |
508 |
f |
[HEM]B:501 |
x,y,z |
1_555 |
30 |
1 |
821 |
122.2 |
-4.1 |
0.975 |
0 |
0 |
0 |
0.077 |
33 |
|
[CL6]A:502 |
13 |
1 |
518 |
f |
[HEM]A:501 |
x,y,z |
1_555 |
33 |
1 |
817 |
121.5 |
-3.8 |
0.993 |
0 |
0 |
0 |
0.077 |
34 |
|
[CL6]E:502 |
11 |
1 |
510 |
f |
[HEM]E:501 |
x,y,z |
1_555 |
33 |
1 |
820 |
120.6 |
-3.9 |
0.984 |
0 |
0 |
0 |
0.077 |
Average: |
122.2 |
-4.1 |
0.981 |
0 |
0 |
0 |
0.077 |
13 |
35 |
|
[GAI]F:503 |
4 |
1 |
187 |
f |
F |
x,y,z |
1_555 |
15 |
5 |
19967 |
79.7 |
-0.2 |
0.399 |
1 |
0 |
0 |
0.004 |
14 |
36 |
|
[GAI]C:503 |
4 |
1 |
184 |
◊ |
C |
x,y,z |
1_555 |
15 |
5 |
19546 |
79.1 |
-0.1 |
0.411 |
0 |
0 |
0 |
0.000 |
15 |
37 |
|
[GAI]F:503 |
4 |
1 |
187 |
◊ |
A |
x,y,z |
1_555 |
15 |
5 |
19841 |
78.7 |
-0.3 |
0.377 |
0 |
0 |
0 |
0.000 |
16 |
38 |
|
[GAI]B:503 |
4 |
1 |
184 |
f |
E |
x,y,z |
1_555 |
15 |
5 |
20008 |
77.2 |
-0.3 |
0.388 |
0 |
0 |
0 |
0.002 |
17 |
39 |
|
[GAI]B:503 |
4 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
13 |
5 |
19746 |
73.6 |
-0.0 |
0.393 |
0 |
0 |
0 |
0.000 |
18 |
40 |
|
[GAI]C:503 |
4 |
1 |
184 |
f |
D |
x,y,z |
1_555 |
12 |
4 |
20101 |
71.0 |
-0.2 |
0.369 |
0 |
0 |
0 |
0.001 |
19 |
41 |
|
A |
7 |
3 |
19841 |
◊ |
C |
x-1/2,-y-1/2,-z |
4_445 |
7 |
3 |
19546 |
39.4 |
0.2 |
0.715 |
0 |
0 |
0 |
0.000 |
20 |
42 |
|
D |
1 |
1 |
20101 |
◊ |
A |
x-1/2,-y-1/2,-z |
4_445 |
2 |
1 |
19841 |
21.6 |
0.5 |
0.457 |
0 |
0 |
0 |
0.000 |
21 |
43 |
|
F |
2 |
1 |
19967 |
◊ |
C |
x-1/2,-y-1/2,-z |
4_445 |
2 |
1 |
19546 |
13.1 |
-0.3 |
0.394 |
0 |
0 |
0 |
0.000 |
22 |
44 |
|
D |
1 |
1 |
20101 |
◊ |
E |
-x,y-1/2,-z-1/2 |
3_544 |
1 |
1 |
20008 |
7.5 |
0.2 |
0.837 |
0 |
0 |
0 |
0.000 |
|