| ## |
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 |
|
B |
86 |
24 |
8034 |
◊ |
A |
x,y,z |
1_555 |
92 |
24 |
7714 |
845.1 |
-9.0 |
0.399 |
7 |
0 |
0 |
0.250 |
2 |
|
D |
89 |
25 |
8111 |
◊ |
C |
x,y,z |
1_555 |
92 |
24 |
7765 |
840.1 |
-10.0 |
0.363 |
8 |
0 |
0 |
0.250 |
3 |
|
H |
83 |
24 |
8059 |
◊ |
G |
x,y,z |
1_555 |
91 |
23 |
7775 |
838.2 |
-9.4 |
0.365 |
8 |
0 |
0 |
0.250 |
4 |
|
F |
87 |
25 |
8148 |
◊ |
E |
x,y,z |
1_555 |
93 |
24 |
7898 |
836.9 |
-10.0 |
0.311 |
8 |
0 |
0 |
0.250 |
| Average: |
840.1 |
-9.6 |
0.360 |
8 |
0 |
0 |
0.250 |
| 2 |
5 |
|
[HEM]D:201 |
43 |
1 |
836 |
f |
D |
x,y,z |
1_555 |
63 |
24 |
8111 |
582.4 |
-19.1 |
0.359 |
1 |
0 |
0 |
0.372 |
6 |
|
[HEM]F:201 |
43 |
1 |
845 |
f |
F |
x,y,z |
1_555 |
59 |
25 |
8148 |
573.8 |
-19.1 |
0.252 |
1 |
0 |
0 |
0.372 |
7 |
|
[HEM]B:201 |
43 |
1 |
831 |
f |
B |
x,y,z |
1_555 |
62 |
25 |
8034 |
573.7 |
-19.1 |
0.299 |
1 |
0 |
0 |
0.372 |
8 |
|
[HEM]H:201 |
43 |
1 |
834 |
f |
H |
x,y,z |
1_555 |
63 |
25 |
8059 |
571.6 |
-19.1 |
0.300 |
0 |
0 |
0 |
0.372 |
| Average: |
575.4 |
-19.1 |
0.303 |
1 |
0 |
0 |
0.372 |
| 3 |
9 |
|
[HEM]G:201 |
43 |
1 |
826 |
f |
G |
x,y,z |
1_555 |
67 |
26 |
7775 |
568.6 |
-19.2 |
0.325 |
0 |
0 |
0 |
0.360 |
10 |
|
[HEM]E:201 |
43 |
1 |
836 |
f |
E |
x,y,z |
1_555 |
71 |
26 |
7898 |
563.5 |
-18.9 |
0.356 |
1 |
0 |
0 |
0.360 |
11 |
|
[HEM]C:201 |
43 |
1 |
835 |
f |
C |
x,y,z |
1_555 |
68 |
26 |
7765 |
554.8 |
-18.8 |
0.311 |
0 |
0 |
0 |
0.360 |
12 |
|
[HEM]A:201 |
43 |
1 |
831 |
f |
A |
x,y,z |
1_555 |
67 |
26 |
7714 |
553.1 |
-18.9 |
0.302 |
0 |
0 |
0 |
0.360 |
| Average: |
560.0 |
-19.0 |
0.324 |
0 |
0 |
0 |
0.360 |
| 4 |
13 |
|
F |
67 |
16 |
8148 |
◊ |
C |
x,y,z |
1_555 |
53 |
14 |
7765 |
510.7 |
-4.5 |
0.523 |
2 |
1 |
0 |
0.047 |
14 |
|
H |
60 |
13 |
8059 |
◊ |
A |
x,y,z |
1_555 |
52 |
13 |
7714 |
488.2 |
-4.1 |
0.567 |
4 |
1 |
0 |
0.047 |
| Average: |
499.5 |
-4.3 |
0.545 |
3 |
1 |
0 |
0.047 |
| 5 |
15 |
|
D |
61 |
14 |
8111 |
◊ |
E |
x,y,z |
1_555 |
60 |
14 |
7898 |
483.5 |
-3.6 |
0.606 |
7 |
0 |
0 |
0.052 |
16 |
|
B |
61 |
17 |
8034 |
◊ |
G |
x,y,z |
1_555 |
52 |
13 |
7775 |
470.3 |
-2.3 |
0.674 |
6 |
0 |
0 |
0.052 |
| Average: |
476.9 |
-3.0 |
0.640 |
7 |
0 |
0 |
0.052 |
| 6 |
17 |
|
H |
51 |
14 |
8059 |
◊ |
B |
x,y,z |
1_555 |
44 |
11 |
8034 |
438.7 |
-1.5 |
0.677 |
6 |
0 |
0 |
0.032 |
18 |
|
F |
48 |
14 |
8148 |
◊ |
D |
x,y,z |
1_555 |
49 |
13 |
8111 |
423.3 |
-3.3 |
0.503 |
1 |
0 |
0 |
0.032 |
| Average: |
431.0 |
-2.4 |
0.590 |
4 |
0 |
0 |
0.032 |
| 7 |
19 |
|
G |
49 |
13 |
7775 |
◊ |
A |
x,y,z |
1_555 |
45 |
14 |
7714 |
427.6 |
-5.3 |
0.440 |
5 |
0 |
0 |
0.058 |
20 |
|
E |
45 |
12 |
7898 |
◊ |
C |
x,y,z |
1_555 |
37 |
11 |
7765 |
363.5 |
-1.8 |
0.672 |
5 |
0 |
0 |
0.058 |
| Average: |
395.5 |
-3.6 |
0.556 |
5 |
0 |
0 |
0.058 |
| 8 |
21 |
|
F |
38 |
14 |
8148 |
◊ |
E |
x,y-1,z |
1_545 |
39 |
11 |
7898 |
330.5 |
-0.0 |
0.754 |
3 |
0 |
0 |
0.000 |
| 9 |
22 |
|
D |
34 |
11 |
8111 |
◊ |
H |
x-1,y+1,z-1 |
1_464 |
38 |
12 |
8059 |
326.9 |
2.5 |
0.894 |
3 |
2 |
0 |
0.000 |
| 10 |
23 |
|
B |
37 |
12 |
8034 |
◊ |
E |
x,y-1,z |
1_545 |
38 |
14 |
7898 |
308.7 |
-2.4 |
0.569 |
0 |
1 |
0 |
0.000 |
24 |
|
D |
40 |
12 |
8111 |
◊ |
G |
x-1,y,z-1 |
1_454 |
36 |
15 |
7775 |
288.0 |
-2.9 |
0.542 |
0 |
1 |
0 |
0.000 |
| Average: |
298.3 |
-2.7 |
0.556 |
0 |
1 |
0 |
0.000 |
| 11 |
25 |
|
A |
32 |
10 |
7714 |
◊ |
F |
-x,y-1/2,-z+1 |
2_546 |
30 |
13 |
8148 |
288.8 |
-2.0 |
0.567 |
1 |
0 |
0 |
0.024 |
26 |
|
H |
27 |
11 |
8059 |
◊ |
C |
-x,y-1/2,-z+1 |
2_546 |
29 |
9 |
7765 |
275.7 |
-2.9 |
0.452 |
0 |
0 |
0 |
0.024 |
| Average: |
282.3 |
-2.4 |
0.510 |
1 |
0 |
0 |
0.024 |
| 12 |
27 |
|
F |
32 |
8 |
8148 |
◊ |
E |
-x,y-1/2,-z |
2_545 |
37 |
11 |
7898 |
287.6 |
-2.3 |
0.547 |
4 |
2 |
0 |
0.000 |
28 |
|
H |
27 |
7 |
8059 |
◊ |
G |
-x+1,y-1/2,-z+1 |
2_646 |
36 |
12 |
7775 |
262.1 |
-2.6 |
0.518 |
4 |
3 |
0 |
0.000 |
| Average: |
274.8 |
-2.5 |
0.532 |
4 |
3 |
0 |
0.000 |
| 13 |
29 |
|
H |
32 |
10 |
8059 |
◊ |
G |
x,y-1,z |
1_545 |
25 |
8 |
7775 |
257.8 |
-0.6 |
0.706 |
0 |
0 |
0 |
0.000 |
| 14 |
30 |
|
A |
18 |
4 |
7714 |
◊ |
C |
-x,y-1/2,-z+1 |
2_546 |
17 |
4 |
7765 |
153.1 |
-0.3 |
0.702 |
1 |
2 |
0 |
0.004 |
| 15 |
31 |
|
A |
22 |
9 |
7714 |
◊ |
E |
-x,y-1/2,-z+1 |
2_546 |
12 |
7 |
7898 |
148.5 |
-3.1 |
0.256 |
0 |
0 |
0 |
0.027 |
32 |
|
G |
13 |
6 |
7775 |
◊ |
C |
-x,y-1/2,-z+1 |
2_546 |
21 |
8 |
7765 |
131.8 |
-3.3 |
0.228 |
0 |
0 |
0 |
0.027 |
| Average: |
140.1 |
-3.2 |
0.242 |
0 |
0 |
0 |
0.027 |
| 16 |
33 |
|
H |
22 |
5 |
8059 |
◊ |
F |
-x,y-1/2,-z+1 |
2_546 |
20 |
5 |
8148 |
139.3 |
-0.7 |
0.627 |
0 |
0 |
0 |
0.002 |
| 17 |
34 |
|
B |
17 |
6 |
8034 |
◊ |
D |
-x,y-1/2,-z |
2_545 |
12 |
7 |
8111 |
116.0 |
0.5 |
0.743 |
0 |
0 |
0 |
0.000 |
| 18 |
35 |
|
C |
17 |
6 |
7765 |
x |
C |
-x-1,y-1/2,-z |
2_445 |
13 |
6 |
7765 |
110.9 |
-1.5 |
0.493 |
0 |
0 |
0 |
0.000 |
36 |
|
A |
11 |
4 |
7714 |
x |
A |
-x,y-1/2,-z+1 |
2_546 |
12 |
4 |
7714 |
100.3 |
-1.3 |
0.485 |
0 |
0 |
0 |
0.000 |
| Average: |
105.6 |
-1.4 |
0.489 |
0 |
0 |
0 |
0.000 |
| 19 |
37 |
|
B |
12 |
4 |
8034 |
◊ |
G |
-x+1,y-1/2,-z+1 |
2_646 |
12 |
5 |
7775 |
100.4 |
0.6 |
0.718 |
0 |
0 |
0 |
0.000 |
38 |
|
D |
5 |
2 |
8111 |
◊ |
E |
-x,y-1/2,-z |
2_545 |
11 |
3 |
7898 |
71.6 |
0.9 |
0.685 |
0 |
0 |
0 |
0.000 |
| Average: |
86.0 |
0.8 |
0.702 |
0 |
0 |
0 |
0.000 |
| 20 |
39 |
|
F |
11 |
4 |
8148 |
◊ |
B |
x,y,z |
1_555 |
16 |
7 |
8034 |
98.0 |
0.7 |
0.764 |
0 |
0 |
0 |
0.000 |
| 21 |
40 |
|
F |
13 |
4 |
8148 |
◊ |
C |
x,y-1,z |
1_545 |
9 |
4 |
7765 |
87.7 |
-1.3 |
0.327 |
0 |
0 |
0 |
0.000 |
41 |
|
H |
10 |
3 |
8059 |
◊ |
A |
x,y-1,z |
1_545 |
7 |
3 |
7714 |
76.6 |
-0.9 |
0.293 |
0 |
0 |
0 |
0.000 |
| Average: |
82.2 |
-1.1 |
0.310 |
0 |
0 |
0 |
0.000 |
| 22 |
42 |
|
[HEM]A:201 |
6 |
1 |
831 |
◊ |
E |
-x,y-1/2,-z+1 |
2_546 |
7 |
3 |
7898 |
72.6 |
-4.0 |
0.307 |
2 |
0 |
0 |
0.041 |
43 |
|
G |
7 |
3 |
7775 |
◊ |
[HEM]C:201 |
-x,y-1/2,-z+1 |
2_546 |
5 |
1 |
835 |
72.1 |
-4.1 |
0.244 |
2 |
0 |
0 |
0.041 |
| Average: |
72.4 |
-4.1 |
0.276 |
2 |
0 |
0 |
0.041 |
| 23 |
44 |
|
[CMO]E:202 |
2 |
1 |
137 |
f |
E |
x,y,z |
1_555 |
11 |
6 |
7898 |
64.0 |
-0.6 |
0.710 |
0 |
0 |
0 |
0.011 |
| 24 |
45 |
|
[CMO]C:202 |
2 |
1 |
137 |
f |
C |
x,y,z |
1_555 |
9 |
6 |
7765 |
63.5 |
0.1 |
0.802 |
0 |
0 |
0 |
0.000 |
| 25 |
46 |
|
[CMO]G:202 |
2 |
1 |
136 |
f |
G |
x,y,z |
1_555 |
9 |
6 |
7775 |
63.3 |
-0.5 |
0.722 |
0 |
0 |
0 |
0.010 |
| 26 |
47 |
|
[CMO]A:202 |
2 |
1 |
136 |
f |
A |
x,y,z |
1_555 |
10 |
6 |
7714 |
63.1 |
0.0 |
0.803 |
0 |
0 |
0 |
0.000 |
| 27 |
48 |
|
[OXY]F:202 |
2 |
1 |
123 |
f |
F |
x,y,z |
1_555 |
9 |
6 |
8148 |
57.6 |
0.4 |
0.753 |
1 |
0 |
0 |
0.000 |
| 28 |
49 |
|
H |
7 |
4 |
8059 |
◊ |
[HEM]C:201 |
-x,y-1/2,-z+1 |
2_546 |
5 |
1 |
835 |
56.0 |
-2.8 |
0.436 |
1 |
0 |
0 |
0.027 |
50 |
|
[HEM]A:201 |
5 |
1 |
831 |
◊ |
F |
-x,y-1/2,-z+1 |
2_546 |
6 |
4 |
8148 |
54.4 |
-2.8 |
0.408 |
1 |
0 |
0 |
0.027 |
| Average: |
55.2 |
-2.8 |
0.422 |
1 |
0 |
0 |
0.027 |
| 29 |
51 |
|
H |
5 |
2 |
8059 |
◊ |
[HEM]G:201 |
x,y-1,z |
1_545 |
6 |
1 |
826 |
55.4 |
-3.1 |
0.462 |
0 |
0 |
0 |
0.000 |
| 30 |
52 |
|
C |
6 |
2 |
7765 |
◊ |
H |
x-1,y+1,z-1 |
1_464 |
5 |
2 |
8059 |
50.6 |
-0.5 |
0.438 |
0 |
0 |
0 |
0.000 |
| 31 |
53 |
|
[CMO]E:202 |
2 |
1 |
137 |
cf |
[HEM]E:201 |
x,y,z |
1_555 |
13 |
1 |
836 |
44.5 |
-2.1 |
0.500 |
0 |
0 |
0 |
0.038 |
| 32 |
54 |
|
[CMO]G:202 |
2 |
1 |
136 |
cf |
[HEM]G:201 |
x,y,z |
1_555 |
16 |
1 |
826 |
44.5 |
-2.1 |
0.500 |
0 |
0 |
0 |
0.038 |
| 33 |
55 |
|
[CMO]C:202 |
2 |
1 |
137 |
cf |
[HEM]C:201 |
x,y,z |
1_555 |
14 |
1 |
835 |
43.7 |
-2.2 |
0.500 |
0 |
0 |
0 |
0.040 |
| 34 |
56 |
|
[CMO]A:202 |
2 |
1 |
136 |
cf |
[HEM]A:201 |
x,y,z |
1_555 |
15 |
1 |
831 |
43.6 |
-2.0 |
0.500 |
0 |
0 |
0 |
0.038 |
| 35 |
57 |
|
[OXY]F:202 |
2 |
1 |
123 |
cf |
[HEM]F:201 |
x,y,z |
1_555 |
16 |
1 |
845 |
40.6 |
-0.5 |
1.000 |
0 |
0 |
0 |
0.009 |
| 36 |
58 |
|
[HEM]H:201 |
4 |
1 |
834 |
◊ |
G |
x,y-1,z |
1_545 |
7 |
3 |
7775 |
35.4 |
-1.5 |
0.623 |
0 |
0 |
0 |
0.000 |
| 37 |
59 |
|
B |
3 |
2 |
8034 |
◊ |
[HEM]D:201 |
-x,y-1/2,-z |
2_545 |
3 |
1 |
836 |
34.7 |
-0.7 |
0.597 |
1 |
0 |
0 |
0.000 |
| 38 |
60 |
|
F |
4 |
1 |
8148 |
◊ |
[HEM]E:201 |
x,y-1,z |
1_545 |
3 |
1 |
836 |
32.5 |
-0.7 |
0.582 |
1 |
0 |
0 |
0.000 |
| 39 |
61 |
|
[HEM]B:201 |
2 |
1 |
831 |
◊ |
D |
-x,y-1/2,-z |
2_545 |
3 |
2 |
8111 |
7.3 |
-0.4 |
0.674 |
0 |
0 |
0 |
0.000 |
| 40 |
62 |
|
[HEM]F:201 |
1 |
1 |
845 |
◊ |
E |
x,y-1,z |
1_545 |
1 |
1 |
7898 |
3.6 |
-0.2 |
0.643 |
0 |
0 |
0 |
0.000 |
| 41 |
63 |
|
C |
1 |
1 |
7765 |
◊ |
G |
x-1,y+1,z-1 |
1_464 |
1 |
1 |
7775 |
3.3 |
-0.1 |
0.407 |
0 |
0 |
0 |
0.000 |
| 42 |
64 |
|
F |
1 |
1 |
8148 |
◊ |
D |
-x,y-1/2,-z |
2_545 |
2 |
1 |
8111 |
3.0 |
0.0 |
0.558 |
0 |
0 |
0 |
0.000 |
|