## |
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 |
83 |
23 |
8013 |
◊ |
E |
x,y,z |
1_555 |
89 |
24 |
7715 |
842.9 |
-9.4 |
0.345 |
6 |
0 |
0 |
0.226 |
2 |
|
D |
87 |
26 |
7884 |
◊ |
C |
x,y,z |
1_555 |
91 |
25 |
7818 |
839.7 |
-8.6 |
0.451 |
6 |
0 |
0 |
0.226 |
3 |
|
H |
87 |
24 |
7950 |
◊ |
G |
x,y,z |
1_555 |
92 |
25 |
7732 |
833.5 |
-9.7 |
0.397 |
6 |
0 |
0 |
0.226 |
4 |
|
B |
91 |
24 |
8082 |
◊ |
A |
x,y,z |
1_555 |
93 |
25 |
7728 |
830.5 |
-8.9 |
0.436 |
6 |
0 |
0 |
0.226 |
Average: |
836.7 |
-9.1 |
0.407 |
6 |
0 |
0 |
0.226 |
2 |
5 |
|
[HEM]G:201 |
43 |
1 |
843 |
f |
G |
x,y,z |
1_555 |
68 |
26 |
7732 |
588.0 |
-20.6 |
0.316 |
0 |
0 |
0 |
0.377 |
6 |
|
[HEM]E:201 |
43 |
1 |
833 |
f |
E |
x,y,z |
1_555 |
71 |
26 |
7715 |
583.1 |
-19.8 |
0.333 |
0 |
0 |
0 |
0.377 |
7 |
|
[HEM]A:201 |
43 |
1 |
830 |
f |
A |
x,y,z |
1_555 |
66 |
26 |
7728 |
553.4 |
-18.7 |
0.315 |
0 |
0 |
0 |
0.377 |
8 |
|
[HEM]C:201 |
43 |
1 |
824 |
f |
C |
x,y,z |
1_555 |
67 |
26 |
7818 |
551.4 |
-18.9 |
0.310 |
0 |
0 |
0 |
0.377 |
Average: |
568.9 |
-19.5 |
0.319 |
0 |
0 |
0 |
0.377 |
3 |
9 |
|
[HEM]B:201 |
43 |
1 |
818 |
f |
B |
x,y,z |
1_555 |
65 |
24 |
8082 |
571.3 |
-18.8 |
0.330 |
1 |
0 |
0 |
0.361 |
10 |
|
[HEM]F:201 |
42 |
1 |
834 |
f |
F |
x,y,z |
1_555 |
67 |
26 |
8013 |
566.9 |
-19.6 |
0.210 |
0 |
0 |
0 |
0.361 |
11 |
|
[HEM]D:201 |
43 |
1 |
800 |
f |
D |
x,y,z |
1_555 |
67 |
24 |
7884 |
559.3 |
-17.9 |
0.369 |
1 |
0 |
0 |
0.361 |
Average: |
565.8 |
-18.8 |
0.303 |
1 |
0 |
0 |
0.361 |
4 |
12 |
|
[HEM]H:201 |
43 |
1 |
825 |
f |
H |
x,y,z |
1_555 |
62 |
26 |
7950 |
559.3 |
-18.4 |
0.377 |
1 |
0 |
0 |
0.345 |
5 |
13 |
|
F |
64 |
15 |
8013 |
◊ |
A |
x,y,z |
1_555 |
53 |
13 |
7728 |
511.1 |
-4.3 |
0.552 |
5 |
1 |
0 |
0.095 |
14 |
|
B |
60 |
14 |
8082 |
◊ |
E |
x,y,z |
1_555 |
52 |
14 |
7715 |
490.3 |
-3.2 |
0.621 |
5 |
0 |
0 |
0.095 |
15 |
|
H |
53 |
12 |
7950 |
◊ |
C |
x,y,z |
1_555 |
51 |
13 |
7818 |
490.2 |
-4.5 |
0.519 |
3 |
1 |
0 |
0.095 |
16 |
|
D |
60 |
16 |
7884 |
◊ |
G |
x,y,z |
1_555 |
53 |
14 |
7732 |
465.4 |
-3.7 |
0.631 |
6 |
0 |
0 |
0.095 |
Average: |
489.2 |
-3.9 |
0.581 |
5 |
1 |
0 |
0.095 |
6 |
17 |
|
G |
43 |
13 |
7732 |
◊ |
C |
x,y,z |
1_555 |
41 |
13 |
7818 |
413.5 |
-6.8 |
0.293 |
1 |
0 |
0 |
0.056 |
18 |
|
E |
25 |
8 |
7715 |
◊ |
A |
x,y,z |
1_555 |
25 |
7 |
7728 |
247.4 |
-1.6 |
0.608 |
2 |
0 |
0 |
0.056 |
Average: |
330.5 |
-4.2 |
0.450 |
2 |
0 |
0 |
0.056 |
7 |
19 |
|
F |
49 |
12 |
8013 |
◊ |
B |
x,y,z |
1_555 |
47 |
11 |
8082 |
378.8 |
-2.9 |
0.557 |
1 |
0 |
0 |
0.026 |
20 |
|
H |
30 |
9 |
7950 |
◊ |
D |
x,y,z |
1_555 |
36 |
9 |
7884 |
284.6 |
-1.1 |
0.592 |
2 |
0 |
0 |
0.026 |
Average: |
331.7 |
-2.0 |
0.574 |
2 |
0 |
0 |
0.026 |
8 |
21 |
|
F |
42 |
13 |
8013 |
◊ |
E |
x,y-1,z |
1_545 |
32 |
10 |
7715 |
313.4 |
-0.8 |
0.706 |
0 |
0 |
0 |
0.000 |
9 |
22 |
|
H |
35 |
11 |
7950 |
◊ |
B |
-x-1,y-1/2,-z-1 |
2_444 |
36 |
12 |
8082 |
305.1 |
2.9 |
0.911 |
5 |
0 |
0 |
0.000 |
10 |
23 |
|
D |
38 |
12 |
7884 |
◊ |
E |
-x,y-1/2,-z |
2_545 |
43 |
16 |
7715 |
302.5 |
-3.0 |
0.534 |
0 |
0 |
0 |
0.000 |
24 |
|
B |
35 |
11 |
8082 |
◊ |
G |
-x-1,y-1/2,-z-1 |
2_444 |
39 |
14 |
7732 |
294.0 |
-2.6 |
0.572 |
0 |
0 |
0 |
0.000 |
Average: |
298.3 |
-2.8 |
0.553 |
0 |
0 |
0 |
0.000 |
11 |
25 |
|
C |
29 |
10 |
7818 |
◊ |
F |
x,y,z-1 |
1_554 |
29 |
12 |
8013 |
298.6 |
-0.9 |
0.658 |
5 |
0 |
0 |
0.023 |
26 |
|
H |
28 |
11 |
7950 |
◊ |
A |
x,y,z-1 |
1_554 |
29 |
9 |
7728 |
259.4 |
-3.3 |
0.391 |
0 |
0 |
0 |
0.023 |
Average: |
279.0 |
-2.1 |
0.525 |
3 |
0 |
0 |
0.023 |
12 |
27 |
|
H |
32 |
10 |
7950 |
◊ |
G |
x,y-1,z |
1_545 |
31 |
11 |
7732 |
289.4 |
-1.3 |
0.651 |
0 |
0 |
0 |
0.000 |
13 |
28 |
|
F |
30 |
7 |
8013 |
◊ |
E |
-x,y-1/2,-z |
2_545 |
38 |
10 |
7715 |
285.5 |
-2.0 |
0.592 |
3 |
1 |
0 |
0.000 |
29 |
|
H |
29 |
7 |
7950 |
◊ |
G |
-x-1,y-1/2,-z-1 |
2_444 |
35 |
11 |
7732 |
260.2 |
-2.3 |
0.572 |
4 |
4 |
0 |
0.000 |
Average: |
272.8 |
-2.1 |
0.582 |
4 |
3 |
0 |
0.000 |
14 |
30 |
|
C |
20 |
7 |
7818 |
◊ |
E |
x,y,z-1 |
1_554 |
15 |
6 |
7715 |
147.2 |
-4.1 |
0.170 |
0 |
0 |
0 |
0.027 |
31 |
|
G |
12 |
6 |
7732 |
◊ |
A |
x,y,z-1 |
1_554 |
17 |
7 |
7728 |
124.9 |
-3.7 |
0.174 |
0 |
0 |
0 |
0.027 |
Average: |
136.1 |
-3.9 |
0.172 |
0 |
0 |
0 |
0.027 |
15 |
32 |
|
H |
22 |
5 |
7950 |
◊ |
F |
x,y,z-1 |
1_554 |
21 |
5 |
8013 |
138.9 |
-1.2 |
0.563 |
0 |
0 |
0 |
0.004 |
16 |
33 |
|
A |
23 |
9 |
7728 |
x |
A |
-x-1,y-1/2,-z |
2_445 |
12 |
7 |
7728 |
124.9 |
-1.3 |
0.575 |
0 |
0 |
0 |
0.000 |
17 |
34 |
|
C |
17 |
4 |
7818 |
◊ |
A |
x,y,z-1 |
1_554 |
15 |
4 |
7728 |
123.9 |
-0.9 |
0.631 |
0 |
0 |
0 |
0.003 |
18 |
35 |
|
H |
15 |
5 |
7950 |
◊ |
C |
x,y-1,z |
1_545 |
13 |
5 |
7818 |
117.8 |
-0.9 |
0.375 |
0 |
0 |
0 |
0.000 |
19 |
36 |
|
F |
17 |
6 |
8013 |
◊ |
A |
x,y-1,z |
1_545 |
12 |
5 |
7728 |
113.4 |
-1.1 |
0.342 |
0 |
0 |
0 |
0.000 |
20 |
37 |
|
C |
12 |
5 |
7818 |
x |
C |
-x,y-1/2,-z-1 |
2_544 |
9 |
3 |
7818 |
100.1 |
-1.4 |
0.425 |
0 |
0 |
0 |
0.000 |
21 |
38 |
|
F |
15 |
5 |
8013 |
◊ |
D |
-x,y-1/2,-z |
2_545 |
14 |
6 |
7884 |
94.3 |
0.7 |
0.762 |
0 |
0 |
0 |
0.000 |
22 |
39 |
|
D |
11 |
6 |
7884 |
◊ |
B |
x,y,z |
1_555 |
11 |
6 |
8082 |
93.1 |
1.9 |
0.878 |
0 |
0 |
0 |
0.000 |
23 |
40 |
|
D |
7 |
3 |
7884 |
◊ |
G |
-x-1,y-1/2,-z-1 |
2_444 |
11 |
3 |
7732 |
91.3 |
0.1 |
0.496 |
0 |
0 |
0 |
0.000 |
41 |
|
B |
8 |
4 |
8082 |
◊ |
E |
-x,y-1/2,-z |
2_545 |
7 |
2 |
7715 |
58.4 |
0.5 |
0.609 |
0 |
0 |
0 |
0.000 |
Average: |
74.9 |
0.3 |
0.552 |
0 |
0 |
0 |
0.000 |
24 |
42 |
|
[HEM]C:201 |
6 |
1 |
824 |
◊ |
E |
x,y,z-1 |
1_554 |
7 |
3 |
7715 |
72.9 |
-3.9 |
0.314 |
2 |
0 |
0 |
0.017 |
25 |
43 |
|
G |
7 |
3 |
7732 |
◊ |
[HEM]A:201 |
x,y,z-1 |
1_554 |
6 |
1 |
830 |
69.5 |
-4.0 |
0.326 |
1 |
0 |
0 |
0.015 |
26 |
44 |
|
[CMO]F:202 |
2 |
1 |
137 |
f |
F |
x,y,z |
1_555 |
12 |
6 |
8013 |
68.7 |
-0.7 |
0.684 |
0 |
0 |
0 |
0.013 |
27 |
45 |
|
[CMO]H:202 |
2 |
1 |
137 |
f |
H |
x,y,z |
1_555 |
12 |
6 |
7950 |
68.7 |
-0.7 |
0.695 |
0 |
0 |
0 |
0.012 |
28 |
46 |
|
[CMO]D:202 |
2 |
1 |
136 |
f |
D |
x,y,z |
1_555 |
12 |
6 |
7884 |
66.4 |
0.0 |
0.790 |
0 |
0 |
0 |
0.000 |
29 |
47 |
|
[CMO]A:202 |
2 |
1 |
136 |
f |
A |
x,y,z |
1_555 |
9 |
6 |
7728 |
65.3 |
-0.6 |
0.726 |
0 |
0 |
0 |
0.011 |
30 |
48 |
|
[CMO]B:202 |
2 |
1 |
137 |
f |
B |
x,y,z |
1_555 |
14 |
6 |
8082 |
64.8 |
-0.6 |
0.707 |
0 |
0 |
0 |
0.011 |
31 |
49 |
|
[CMO]C:202 |
2 |
1 |
137 |
f |
C |
x,y,z |
1_555 |
9 |
7 |
7818 |
64.0 |
-0.7 |
0.705 |
0 |
0 |
0 |
0.005 |
32 |
50 |
|
H |
7 |
4 |
7950 |
◊ |
A |
-x-1,y-1/2,-z-1 |
2_444 |
6 |
4 |
7728 |
58.5 |
-0.3 |
0.511 |
0 |
0 |
0 |
0.000 |
33 |
51 |
|
H |
6 |
4 |
7950 |
◊ |
[HEM]A:201 |
x,y,z-1 |
1_554 |
5 |
1 |
830 |
58.5 |
-2.8 |
0.436 |
1 |
0 |
0 |
0.022 |
52 |
|
[HEM]C:201 |
5 |
1 |
824 |
◊ |
F |
x,y,z-1 |
1_554 |
5 |
3 |
8013 |
53.0 |
-2.7 |
0.401 |
1 |
0 |
0 |
0.022 |
Average: |
55.7 |
-2.8 |
0.419 |
1 |
0 |
0 |
0.022 |
34 |
53 |
|
H |
6 |
2 |
7950 |
◊ |
[HEM]G:201 |
x,y-1,z |
1_545 |
5 |
1 |
843 |
57.9 |
-3.6 |
0.265 |
1 |
0 |
0 |
0.000 |
35 |
54 |
|
F |
4 |
2 |
8013 |
◊ |
[HEM]E:201 |
x,y-1,z |
1_545 |
5 |
1 |
833 |
45.2 |
-1.1 |
0.745 |
0 |
0 |
0 |
0.000 |
36 |
55 |
|
[CMO]H:202 |
1 |
1 |
137 |
f |
[HEM]H:201 |
x,y,z |
1_555 |
16 |
1 |
825 |
44.0 |
-2.1 |
0.707 |
0 |
0 |
0 |
0.039 |
37 |
56 |
|
[CMO]C:202 |
2 |
1 |
137 |
f |
[HEM]C:201 |
x,y,z |
1_555 |
17 |
1 |
824 |
43.8 |
-2.0 |
0.500 |
0 |
0 |
0 |
0.016 |
38 |
57 |
|
[CMO]F:202 |
1 |
1 |
137 |
f |
[HEM]F:201 |
x,y,z |
1_555 |
15 |
1 |
834 |
43.8 |
-2.2 |
0.707 |
0 |
0 |
0 |
0.040 |
39 |
58 |
|
[CMO]A:202 |
1 |
1 |
136 |
f |
[HEM]A:201 |
x,y,z |
1_555 |
16 |
1 |
830 |
43.5 |
-2.0 |
0.707 |
0 |
0 |
0 |
0.037 |
40 |
59 |
|
[CMO]B:202 |
1 |
1 |
137 |
f |
[HEM]B:201 |
x,y,z |
1_555 |
17 |
1 |
818 |
43.5 |
-2.0 |
0.707 |
0 |
0 |
0 |
0.037 |
41 |
60 |
|
[CMO]D:202 |
1 |
1 |
136 |
f |
[HEM]D:201 |
x,y,z |
1_555 |
16 |
1 |
800 |
43.2 |
-2.1 |
0.707 |
0 |
0 |
0 |
0.016 |
42 |
61 |
|
[HEM]H:201 |
4 |
1 |
825 |
◊ |
G |
x,y-1,z |
1_545 |
5 |
2 |
7732 |
39.6 |
-1.1 |
0.667 |
1 |
0 |
0 |
0.000 |
43 |
62 |
|
[HEM]B:201 |
3 |
1 |
818 |
◊ |
D |
x,y,z |
1_555 |
2 |
1 |
7884 |
34.1 |
-0.2 |
0.634 |
1 |
0 |
0 |
0.000 |
44 |
63 |
|
F |
5 |
3 |
8013 |
◊ |
B |
-x,y-1/2,-z |
2_545 |
4 |
3 |
8082 |
15.7 |
0.4 |
0.717 |
0 |
0 |
0 |
0.000 |
45 |
64 |
|
[HEM]D:201 |
4 |
1 |
800 |
◊ |
B |
x,y,z |
1_555 |
3 |
2 |
8082 |
10.2 |
-0.4 |
0.830 |
0 |
0 |
0 |
0.000 |
46 |
65 |
|
G |
2 |
2 |
7732 |
◊ |
A |
-x-1,y-1/2,-z-1 |
2_444 |
2 |
2 |
7728 |
6.6 |
-0.0 |
0.622 |
0 |
0 |
0 |
0.000 |
47 |
66 |
|
[HEM]F:201 |
1 |
1 |
834 |
◊ |
E |
x,y-1,z |
1_545 |
1 |
1 |
7715 |
5.2 |
-0.2 |
0.587 |
0 |
0 |
0 |
0.000 |
|