## |
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 |
265 |
69 |
20090 |
◊ |
C |
x,y,z |
1_555 |
271 |
69 |
19505 |
2622.2 |
-36.6 |
0.007 |
31 |
9 |
0 |
0.412 |
2 |
|
B |
258 |
66 |
19861 |
◊ |
A |
x,y,z |
1_555 |
259 |
70 |
19942 |
2590.0 |
-37.7 |
0.005 |
35 |
12 |
0 |
0.412 |
Average: |
2606.1 |
-37.1 |
0.006 |
33 |
11 |
0 |
0.412 |
2 |
3 |
|
[HEM]C:501 |
42 |
1 |
827 |
f |
C |
x,y,z |
1_555 |
76 |
24 |
19505 |
535.4 |
-18.7 |
0.272 |
2 |
0 |
0 |
0.301 |
4 |
|
[HEM]A:501 |
42 |
1 |
829 |
f |
A |
x,y,z |
1_555 |
82 |
25 |
19942 |
533.7 |
-18.5 |
0.319 |
1 |
0 |
0 |
0.301 |
5 |
|
[HEM]D:501 |
41 |
1 |
822 |
f |
D |
x,y,z |
1_555 |
79 |
25 |
20090 |
528.9 |
-18.6 |
0.267 |
2 |
0 |
0 |
0.301 |
6 |
|
[HEM]B:501 |
42 |
1 |
822 |
f |
B |
x,y,z |
1_555 |
80 |
24 |
19861 |
524.4 |
-18.3 |
0.309 |
2 |
0 |
0 |
0.301 |
Average: |
530.6 |
-18.5 |
0.292 |
2 |
0 |
0 |
0.301 |
3 |
7 |
|
D |
55 |
16 |
20090 |
◊ |
B |
x,y,z-1 |
1_554 |
57 |
15 |
19861 |
501.3 |
2.6 |
0.858 |
10 |
3 |
0 |
0.000 |
4 |
8 |
|
C |
49 |
16 |
19505 |
◊ |
B |
x,y,z |
1_555 |
54 |
18 |
19861 |
464.9 |
-2.8 |
0.435 |
6 |
5 |
0 |
0.000 |
9 |
|
A |
41 |
13 |
19942 |
◊ |
D |
x-1,y,z |
1_455 |
44 |
13 |
20090 |
375.9 |
-3.3 |
0.359 |
3 |
5 |
0 |
0.000 |
Average: |
420.4 |
-3.0 |
0.397 |
5 |
5 |
0 |
0.000 |
5 |
10 |
|
[8EV]B:503 |
23 |
1 |
564 |
f |
B |
x,y,z |
1_555 |
44 |
19 |
19861 |
316.2 |
-3.8 |
0.402 |
3 |
0 |
0 |
0.039 |
6 |
11 |
|
[8EV]D:503 |
23 |
1 |
560 |
f |
D |
x,y,z |
1_555 |
43 |
18 |
20090 |
312.6 |
-4.0 |
0.393 |
3 |
0 |
0 |
0.079 |
12 |
|
[8EV]A:503 |
23 |
1 |
559 |
f |
A |
x,y,z |
1_555 |
45 |
18 |
19942 |
312.1 |
-3.9 |
0.383 |
4 |
0 |
0 |
0.079 |
13 |
|
[8EV]C:503 |
24 |
1 |
567 |
f |
C |
x,y,z |
1_555 |
44 |
17 |
19505 |
306.5 |
-3.6 |
0.395 |
3 |
0 |
0 |
0.079 |
Average: |
310.4 |
-3.8 |
0.390 |
3 |
0 |
0 |
0.079 |
7 |
14 |
|
C |
28 |
8 |
19505 |
◊ |
B |
-x+3,y-1/2,-z-3 |
2_842 |
32 |
10 |
19861 |
298.1 |
-0.9 |
0.472 |
3 |
3 |
0 |
0.000 |
8 |
15 |
|
B |
24 |
7 |
19861 |
◊ |
D |
x-1,y,z+1 |
1_456 |
27 |
10 |
20090 |
264.7 |
2.6 |
0.812 |
5 |
4 |
0 |
0.000 |
9 |
16 |
|
[H4B]B:502 |
17 |
1 |
397 |
f |
B |
x,y,z |
1_555 |
31 |
11 |
19861 |
197.4 |
2.6 |
0.493 |
3 |
0 |
0 |
0.000 |
17 |
|
[H4B]C:502 |
17 |
1 |
397 |
f |
C |
x,y,z |
1_555 |
28 |
9 |
19505 |
190.0 |
3.0 |
0.534 |
2 |
0 |
0 |
0.000 |
18 |
|
[H4B]A:502 |
17 |
1 |
395 |
f |
A |
x,y,z |
1_555 |
26 |
9 |
19942 |
186.6 |
2.6 |
0.517 |
2 |
0 |
0 |
0.000 |
19 |
|
[H4B]D:502 |
17 |
1 |
395 |
f |
D |
x,y,z |
1_555 |
26 |
9 |
20090 |
185.2 |
2.7 |
0.505 |
3 |
0 |
0 |
0.000 |
Average: |
189.8 |
2.7 |
0.513 |
3 |
0 |
0 |
0.000 |
10 |
20 |
|
[8EV]B:503 |
19 |
1 |
564 |
f |
[HEM]B:501 |
x,y,z |
1_555 |
34 |
1 |
822 |
162.3 |
-6.4 |
0.729 |
0 |
0 |
0 |
0.048 |
11 |
21 |
|
[8EV]D:503 |
19 |
1 |
560 |
f |
[HEM]D:501 |
x,y,z |
1_555 |
35 |
1 |
822 |
162.2 |
-6.0 |
0.752 |
0 |
0 |
0 |
0.089 |
22 |
|
[8EV]A:503 |
20 |
1 |
559 |
f |
[HEM]A:501 |
x,y,z |
1_555 |
35 |
1 |
829 |
161.6 |
-5.8 |
0.769 |
0 |
0 |
0 |
0.089 |
23 |
|
[8EV]C:503 |
19 |
1 |
567 |
f |
[HEM]C:501 |
x,y,z |
1_555 |
33 |
1 |
827 |
158.4 |
-5.5 |
0.793 |
0 |
0 |
0 |
0.089 |
Average: |
160.8 |
-5.8 |
0.771 |
0 |
0 |
0 |
0.089 |
12 |
24 |
|
D |
22 |
8 |
20090 |
x |
D |
x-1,y,z |
1_455 |
21 |
7 |
20090 |
161.6 |
-0.8 |
0.566 |
1 |
0 |
0 |
0.000 |
25 |
|
B |
20 |
8 |
19861 |
x |
B |
x-1,y,z |
1_455 |
13 |
5 |
19861 |
111.4 |
-0.2 |
0.638 |
1 |
0 |
0 |
0.000 |
Average: |
136.5 |
-0.5 |
0.602 |
1 |
0 |
0 |
0.000 |
13 |
26 |
|
[BTB]B:504 |
11 |
1 |
349 |
◊ |
C |
x,y,z |
1_555 |
19 |
8 |
19505 |
144.5 |
4.9 |
0.226 |
1 |
0 |
0 |
0.000 |
14 |
27 |
|
[BTB]C:504 |
8 |
1 |
343 |
f |
B |
x,y,z |
1_555 |
18 |
7 |
19861 |
127.7 |
2.7 |
0.223 |
1 |
0 |
0 |
0.000 |
15 |
28 |
|
[H4B]C:502 |
13 |
1 |
397 |
◊ |
D |
x,y,z |
1_555 |
25 |
6 |
20090 |
121.6 |
-0.1 |
0.278 |
1 |
0 |
0 |
0.011 |
29 |
|
[H4B]B:502 |
14 |
1 |
397 |
◊ |
A |
x,y,z |
1_555 |
23 |
6 |
19942 |
121.3 |
-0.3 |
0.231 |
1 |
0 |
0 |
0.011 |
30 |
|
[H4B]A:502 |
13 |
1 |
395 |
◊ |
B |
x,y,z |
1_555 |
24 |
6 |
19861 |
120.0 |
-0.1 |
0.290 |
1 |
0 |
0 |
0.011 |
31 |
|
[H4B]D:502 |
13 |
1 |
395 |
◊ |
C |
x,y,z |
1_555 |
22 |
6 |
19505 |
119.7 |
-0.3 |
0.245 |
1 |
0 |
0 |
0.011 |
Average: |
120.7 |
-0.2 |
0.261 |
1 |
0 |
0 |
0.011 |
16 |
32 |
|
[BTB]A:504 |
10 |
1 |
344 |
◊ |
A |
x,y,z |
1_555 |
13 |
4 |
19942 |
119.3 |
2.8 |
0.177 |
1 |
0 |
0 |
0.000 |
17 |
33 |
|
[BTB]A:504 |
10 |
1 |
344 |
f |
D |
x-1,y,z |
1_455 |
14 |
5 |
20090 |
117.5 |
2.1 |
0.125 |
3 |
0 |
0 |
0.000 |
18 |
34 |
|
[BTB]C:504 |
8 |
1 |
343 |
◊ |
C |
x,y,z |
1_555 |
13 |
4 |
19505 |
110.3 |
1.8 |
0.126 |
3 |
0 |
0 |
0.000 |
19 |
35 |
|
A |
17 |
9 |
19942 |
◊ |
[BTB]D:504 |
x-1,y,z |
1_455 |
9 |
1 |
343 |
108.3 |
3.4 |
0.203 |
1 |
0 |
0 |
0.000 |
20 |
36 |
|
[BTB]C:505 |
8 |
1 |
343 |
◊ |
C |
x,y,z |
1_555 |
15 |
4 |
19505 |
106.4 |
3.0 |
0.248 |
2 |
0 |
0 |
0.000 |
21 |
37 |
|
[BTB]A:505 |
9 |
1 |
350 |
◊ |
A |
x,y,z |
1_555 |
14 |
4 |
19942 |
105.8 |
3.4 |
0.248 |
0 |
0 |
0 |
0.000 |
22 |
38 |
|
[GD]C:508 |
1 |
1 |
216 |
f |
[BTB]C:504 |
x,y,z |
1_555 |
7 |
1 |
343 |
94.5 |
-5.6 |
0.000 |
0 |
0 |
0 |
0.076 |
39 |
|
[GD]A:508 |
1 |
1 |
216 |
f |
[BTB]A:504 |
x,y,z |
1_555 |
7 |
1 |
344 |
91.7 |
-5.5 |
0.000 |
0 |
0 |
0 |
0.076 |
40 |
|
[GD]D:506 |
1 |
1 |
216 |
f |
[BTB]D:504 |
x,y,z |
1_555 |
6 |
1 |
343 |
80.0 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.076 |
41 |
|
[GD]B:506 |
1 |
1 |
216 |
f |
[BTB]B:504 |
x,y,z |
1_555 |
8 |
1 |
349 |
79.4 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.076 |
Average: |
86.4 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.076 |
23 |
42 |
|
B |
13 |
5 |
19861 |
◊ |
A |
-x+2,y-1/2,-z-3 |
2_742 |
10 |
5 |
19942 |
89.6 |
-0.5 |
0.401 |
1 |
0 |
0 |
0.000 |
24 |
43 |
|
[BTB]D:504 |
8 |
1 |
343 |
f |
D |
x,y,z |
1_555 |
9 |
4 |
20090 |
84.8 |
1.0 |
0.046 |
2 |
0 |
0 |
0.000 |
25 |
44 |
|
[BTB]D:505 |
7 |
1 |
331 |
f |
D |
x,y,z |
1_555 |
8 |
4 |
20090 |
82.6 |
1.9 |
0.215 |
2 |
0 |
0 |
0.000 |
26 |
45 |
|
[BTB]B:504 |
8 |
1 |
349 |
f |
B |
x,y,z |
1_555 |
10 |
4 |
19861 |
80.3 |
0.6 |
0.042 |
4 |
0 |
0 |
0.009 |
27 |
46 |
|
[BTB]B:505 |
8 |
1 |
353 |
◊ |
B |
x,y,z |
1_555 |
6 |
3 |
19861 |
78.6 |
2.5 |
0.224 |
0 |
0 |
0 |
0.000 |
28 |
47 |
|
[GD]D:506 |
1 |
1 |
216 |
f |
D |
x,y,z |
1_555 |
11 |
4 |
20090 |
78.4 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.032 |
48 |
|
[GD]B:506 |
1 |
1 |
216 |
f |
B |
x,y,z |
1_555 |
11 |
4 |
19861 |
71.1 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.032 |
Average: |
74.7 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.032 |
29 |
49 |
|
[GOL]C:507 |
5 |
1 |
216 |
◊ |
C |
x,y,z |
1_555 |
8 |
3 |
19505 |
64.8 |
1.0 |
0.812 |
2 |
0 |
0 |
0.000 |
30 |
50 |
|
C |
8 |
3 |
19505 |
◊ |
B |
-x+2,y-1/2,-z-3 |
2_742 |
6 |
3 |
19861 |
61.4 |
0.7 |
0.744 |
1 |
0 |
0 |
0.000 |
31 |
51 |
|
[GOL]A:507 |
5 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
7 |
2 |
19942 |
56.7 |
1.1 |
0.828 |
3 |
0 |
0 |
0.002 |
32 |
52 |
|
[BTB]C:505 |
6 |
1 |
343 |
f |
B |
x,y,z |
1_555 |
6 |
2 |
19861 |
54.4 |
1.4 |
0.156 |
1 |
0 |
0 |
0.000 |
33 |
53 |
|
C |
8 |
4 |
19505 |
◊ |
[BTB]B:505 |
-x+3,y-1/2,-z-3 |
2_842 |
6 |
1 |
353 |
50.4 |
0.3 |
0.100 |
0 |
0 |
0 |
0.000 |
34 |
54 |
|
D |
5 |
2 |
20090 |
f |
[BTB]B:505 |
x,y,z-1 |
1_554 |
4 |
1 |
353 |
49.2 |
1.0 |
0.266 |
2 |
0 |
0 |
0.000 |
35 |
55 |
|
[GD]C:508 |
1 |
1 |
216 |
◊ |
C |
x,y,z |
1_555 |
8 |
4 |
19505 |
47.8 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.000 |
56 |
|
[GD]A:508 |
1 |
1 |
216 |
◊ |
A |
x,y,z |
1_555 |
7 |
4 |
19942 |
44.1 |
-1.9 |
0.000 |
0 |
0 |
0 |
0.000 |
Average: |
45.9 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.000 |
36 |
57 |
|
[GD]A:508 |
1 |
1 |
216 |
f |
D |
x-1,y,z |
1_455 |
6 |
3 |
20090 |
47.4 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.020 |
58 |
|
[GD]C:508 |
1 |
1 |
216 |
f |
B |
x,y,z |
1_555 |
6 |
3 |
19861 |
41.4 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.020 |
Average: |
44.4 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.020 |
37 |
59 |
|
[H4B]C:502 |
5 |
1 |
397 |
f |
[HEM]C:501 |
x,y,z |
1_555 |
6 |
1 |
827 |
44.8 |
-1.3 |
0.466 |
2 |
0 |
0 |
0.034 |
60 |
|
[H4B]D:502 |
5 |
1 |
395 |
f |
[HEM]D:501 |
x,y,z |
1_555 |
5 |
1 |
822 |
43.9 |
-1.4 |
0.414 |
2 |
0 |
0 |
0.034 |
61 |
|
[H4B]B:502 |
5 |
1 |
397 |
f |
[HEM]B:501 |
x,y,z |
1_555 |
5 |
1 |
822 |
43.4 |
-1.4 |
0.382 |
1 |
0 |
0 |
0.034 |
62 |
|
[H4B]A:502 |
5 |
1 |
395 |
f |
[HEM]A:501 |
x,y,z |
1_555 |
5 |
1 |
829 |
42.0 |
-1.2 |
0.453 |
2 |
0 |
0 |
0.034 |
Average: |
43.5 |
-1.3 |
0.429 |
2 |
0 |
0 |
0.034 |
38 |
63 |
|
[GD]B:506 |
1 |
1 |
216 |
◊ |
C |
x,y,z |
1_555 |
7 |
4 |
19505 |
44.2 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.000 |
64 |
|
A |
6 |
3 |
19942 |
◊ |
[GD]D:506 |
x-1,y,z |
1_455 |
1 |
1 |
216 |
31.6 |
-1.3 |
0.000 |
0 |
0 |
0 |
0.000 |
Average: |
37.9 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.000 |
39 |
65 |
|
[ZN]C:506 |
1 |
1 |
98 |
◊ |
C |
x,y,z |
1_555 |
5 |
3 |
19505 |
35.0 |
-20.7 |
0.000 |
0 |
0 |
0 |
0.238 |
66 |
|
[ZN]A:506 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
5 |
3 |
19861 |
34.6 |
-20.2 |
0.000 |
0 |
0 |
0 |
0.238 |
67 |
|
[ZN]A:506 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
5 |
3 |
19942 |
34.4 |
-20.3 |
0.000 |
0 |
0 |
0 |
0.238 |
68 |
|
[ZN]C:506 |
1 |
1 |
98 |
◊ |
D |
x,y,z |
1_555 |
5 |
3 |
20090 |
33.6 |
-19.8 |
0.000 |
0 |
0 |
0 |
0.238 |
Average: |
34.4 |
-20.3 |
0.000 |
0 |
0 |
0 |
0.238 |
40 |
69 |
|
[BTB]A:505 |
5 |
1 |
350 |
f |
D |
x-1,y,z |
1_455 |
3 |
1 |
20090 |
33.7 |
1.1 |
0.224 |
0 |
0 |
0 |
0.000 |
41 |
70 |
|
C |
5 |
2 |
19505 |
◊ |
A |
x,y,z |
1_555 |
5 |
2 |
19942 |
26.3 |
0.4 |
0.758 |
0 |
0 |
0 |
0.000 |
71 |
|
A |
2 |
1 |
19942 |
◊ |
C |
x-1,y,z |
1_455 |
2 |
1 |
19505 |
5.9 |
-0.2 |
0.465 |
0 |
0 |
0 |
0.000 |
Average: |
16.1 |
0.1 |
0.611 |
0 |
0 |
0 |
0.000 |
42 |
72 |
|
[GOL]C:507 |
3 |
1 |
216 |
f |
B |
-x+3,y-1/2,-z-3 |
2_842 |
4 |
1 |
19861 |
23.0 |
-0.2 |
0.588 |
0 |
0 |
0 |
0.002 |
43 |
73 |
|
C |
2 |
1 |
19505 |
◊ |
A |
-x+3,y-1/2,-z-3 |
2_842 |
5 |
2 |
19942 |
21.1 |
-0.0 |
0.596 |
0 |
0 |
0 |
0.000 |
44 |
74 |
|
[8EV]C:503 |
1 |
1 |
567 |
◊ |
D |
x,y,z |
1_555 |
6 |
1 |
20090 |
18.6 |
-0.6 |
0.433 |
0 |
0 |
0 |
0.005 |
45 |
75 |
|
[8EV]C:503 |
2 |
1 |
567 |
f |
[H4B]C:502 |
x,y,z |
1_555 |
3 |
1 |
397 |
16.2 |
-0.6 |
0.259 |
0 |
0 |
0 |
0.005 |
76 |
|
[8EV]A:503 |
2 |
1 |
559 |
f |
[H4B]A:502 |
x,y,z |
1_555 |
3 |
1 |
395 |
15.1 |
-0.1 |
0.389 |
0 |
0 |
0 |
0.005 |
Average: |
15.7 |
-0.4 |
0.324 |
0 |
0 |
0 |
0.005 |
46 |
77 |
|
[8EV]D:503 |
3 |
1 |
560 |
f |
[H4B]D:502 |
x,y,z |
1_555 |
2 |
1 |
395 |
10.6 |
-0.4 |
0.353 |
0 |
0 |
0 |
0.003 |
78 |
|
[8EV]B:503 |
1 |
1 |
564 |
f |
[H4B]B:502 |
x,y,z |
1_555 |
1 |
1 |
397 |
7.5 |
-0.3 |
0.243 |
0 |
0 |
0 |
0.003 |
Average: |
9.1 |
-0.3 |
0.298 |
0 |
0 |
0 |
0.003 |
|