| ## |
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 |
56 |
17 |
19547 |
◊ |
F |
x,y-1,z |
1_545 |
59 |
16 |
19781 |
578.7 |
-9.1 |
0.091 |
3 |
1 |
0 |
0.262 |
2 |
|
A |
53 |
15 |
19895 |
◊ |
C |
x,y-1,z+1 |
1_546 |
57 |
16 |
19620 |
575.4 |
-12.3 |
0.010 |
4 |
1 |
0 |
0.262 |
3 |
|
E |
51 |
13 |
19547 |
◊ |
B |
x,y,z |
1_555 |
58 |
16 |
19177 |
542.5 |
-8.6 |
0.095 |
1 |
1 |
0 |
0.262 |
4 |
|
A |
59 |
16 |
19895 |
◊ |
D |
x,y-1,z |
1_545 |
50 |
11 |
19498 |
538.4 |
-8.2 |
0.088 |
4 |
1 |
0 |
0.262 |
5 |
|
B |
49 |
12 |
19177 |
◊ |
F |
x,y-1,z |
1_545 |
56 |
16 |
19781 |
522.1 |
-8.3 |
0.117 |
2 |
1 |
0 |
0.262 |
6 |
|
C |
50 |
13 |
19620 |
◊ |
D |
x,y,z-1 |
1_554 |
50 |
16 |
19498 |
506.8 |
-8.4 |
0.085 |
1 |
1 |
0 |
0.262 |
| Average: |
544.0 |
-9.2 |
0.081 |
3 |
1 |
0 |
0.262 |
| 2 |
7 |
|
[HEM]F:501 |
43 |
1 |
819 |
f |
F |
x,y,z |
1_555 |
79 |
31 |
19781 |
574.9 |
-22.3 |
0.281 |
8 |
0 |
0 |
0.596 |
8 |
|
[HEM]E:501 |
43 |
1 |
828 |
f |
E |
x,y,z |
1_555 |
83 |
32 |
19547 |
571.3 |
-20.9 |
0.354 |
7 |
0 |
0 |
0.596 |
9 |
|
[HEM]B:501 |
43 |
1 |
824 |
f |
B |
x,y,z |
1_555 |
73 |
32 |
19177 |
567.8 |
-21.6 |
0.280 |
8 |
0 |
0 |
0.596 |
10 |
|
[HEM]D:501 |
43 |
1 |
826 |
f |
D |
x,y,z |
1_555 |
70 |
32 |
19498 |
562.9 |
-21.9 |
0.213 |
8 |
0 |
0 |
0.596 |
11 |
|
[HEM]C:501 |
43 |
1 |
821 |
f |
C |
x,y,z |
1_555 |
69 |
32 |
19620 |
562.8 |
-21.8 |
0.209 |
8 |
0 |
0 |
0.596 |
12 |
|
[HEM]A:501 |
43 |
1 |
801 |
f |
A |
x,y,z |
1_555 |
71 |
33 |
19895 |
553.2 |
-21.5 |
0.168 |
8 |
0 |
0 |
0.596 |
| Average: |
565.5 |
-21.7 |
0.251 |
8 |
0 |
0 |
0.596 |
| 3 |
13 |
|
D |
65 |
22 |
19498 |
◊ |
A |
x,y,z |
1_555 |
68 |
25 |
19895 |
552.0 |
-0.9 |
0.681 |
6 |
4 |
0 |
0.000 |
| 4 |
14 |
|
C |
50 |
14 |
19620 |
◊ |
F |
x,y,z-1 |
1_554 |
55 |
15 |
19781 |
442.5 |
-0.2 |
0.759 |
2 |
2 |
0 |
0.000 |
15 |
|
E |
54 |
15 |
19547 |
◊ |
A |
x,y,z |
1_555 |
59 |
16 |
19895 |
439.9 |
-0.5 |
0.655 |
2 |
1 |
0 |
0.000 |
16 |
|
B |
47 |
13 |
19177 |
◊ |
D |
x,y-1,z |
1_545 |
50 |
13 |
19498 |
369.0 |
-2.1 |
0.580 |
1 |
0 |
0 |
0.000 |
| Average: |
417.1 |
-0.9 |
0.665 |
2 |
1 |
0 |
0.000 |
| 5 |
17 |
|
B |
42 |
15 |
19177 |
◊ |
E |
x,y,z-1 |
1_554 |
45 |
17 |
19547 |
385.6 |
0.7 |
0.800 |
3 |
1 |
0 |
0.000 |
| 6 |
18 |
|
F |
46 |
11 |
19781 |
◊ |
A |
x-1,y+1,z |
1_465 |
55 |
13 |
19895 |
368.4 |
-1.9 |
0.563 |
1 |
1 |
0 |
0.000 |
| 7 |
19 |
|
B |
35 |
10 |
19177 |
◊ |
C |
x-1,y,z |
1_455 |
34 |
10 |
19620 |
317.0 |
-2.4 |
0.463 |
1 |
0 |
0 |
0.000 |
| 8 |
20 |
|
C |
31 |
12 |
19620 |
◊ |
A |
x,y,z |
1_555 |
34 |
15 |
19895 |
267.3 |
0.6 |
0.742 |
2 |
0 |
0 |
0.000 |
| 9 |
21 |
|
E |
30 |
7 |
19547 |
◊ |
A |
x-1,y,z |
1_455 |
32 |
10 |
19895 |
228.6 |
-0.1 |
0.672 |
3 |
4 |
0 |
0.000 |
22 |
|
F |
21 |
6 |
19781 |
◊ |
C |
x-1,y,z+1 |
1_456 |
28 |
9 |
19620 |
218.3 |
-2.5 |
0.352 |
2 |
2 |
0 |
0.000 |
| Average: |
223.5 |
-1.3 |
0.512 |
3 |
3 |
0 |
0.000 |
| 10 |
23 |
|
F |
25 |
11 |
19781 |
◊ |
D |
x,y,z |
1_555 |
25 |
8 |
19498 |
210.3 |
0.4 |
0.751 |
1 |
2 |
0 |
0.000 |
24 |
|
E |
20 |
8 |
19547 |
◊ |
C |
x,y-1,z+1 |
1_546 |
24 |
11 |
19620 |
208.5 |
0.3 |
0.707 |
3 |
2 |
0 |
0.000 |
25 |
|
B |
19 |
7 |
19177 |
◊ |
A |
x,y,z |
1_555 |
15 |
6 |
19895 |
154.5 |
0.4 |
0.719 |
2 |
2 |
0 |
0.000 |
| Average: |
191.1 |
0.4 |
0.725 |
2 |
2 |
0 |
0.000 |
| 11 |
26 |
|
[CM5]E:504 |
12 |
1 |
375 |
◊ |
E |
x,y,z |
1_555 |
29 |
7 |
19547 |
196.4 |
3.3 |
0.030 |
0 |
0 |
0 |
0.000 |
| 12 |
27 |
|
[CPZ]D:503 |
12 |
1 |
339 |
f |
D |
x,y,z |
1_555 |
34 |
16 |
19498 |
183.5 |
-5.0 |
0.166 |
0 |
0 |
0 |
0.118 |
28 |
|
[CPZ]C:502 |
12 |
1 |
336 |
f |
C |
x,y,z |
1_555 |
30 |
15 |
19620 |
180.5 |
-5.0 |
0.144 |
0 |
0 |
0 |
0.118 |
29 |
|
[CPZ]A:502 |
12 |
1 |
336 |
f |
A |
x,y,z |
1_555 |
32 |
15 |
19895 |
179.3 |
-5.0 |
0.134 |
0 |
0 |
0 |
0.118 |
30 |
|
[CPZ]B:502 |
12 |
1 |
339 |
f |
B |
x,y,z |
1_555 |
29 |
15 |
19177 |
178.9 |
-4.8 |
0.155 |
0 |
0 |
0 |
0.118 |
31 |
|
[CPZ]E:502 |
12 |
1 |
337 |
f |
E |
x,y,z |
1_555 |
29 |
14 |
19547 |
177.8 |
-5.1 |
0.129 |
0 |
0 |
0 |
0.118 |
32 |
|
[CPZ]F:502 |
12 |
1 |
336 |
f |
F |
x,y,z |
1_555 |
28 |
13 |
19781 |
177.0 |
-4.7 |
0.169 |
0 |
0 |
0 |
0.118 |
| Average: |
179.5 |
-4.9 |
0.150 |
0 |
0 |
0 |
0.118 |
| 13 |
33 |
|
[SUC]A:504 |
15 |
1 |
438 |
f |
A |
x,y,z |
1_555 |
24 |
13 |
19895 |
182.3 |
1.5 |
0.455 |
3 |
0 |
0 |
0.000 |
| 14 |
34 |
|
[CPZ]F:503 |
12 |
1 |
340 |
f |
F |
x,y,z |
1_555 |
26 |
14 |
19781 |
174.8 |
-3.5 |
0.327 |
0 |
0 |
0 |
0.081 |
35 |
|
[CPZ]A:503 |
12 |
1 |
339 |
f |
A |
x,y,z |
1_555 |
26 |
16 |
19895 |
173.5 |
-3.4 |
0.274 |
0 |
0 |
0 |
0.081 |
36 |
|
[CPZ]C:503 |
12 |
1 |
337 |
f |
C |
x,y,z |
1_555 |
22 |
13 |
19620 |
170.2 |
-3.4 |
0.274 |
0 |
0 |
0 |
0.081 |
37 |
|
[CPZ]D:502 |
12 |
1 |
337 |
f |
D |
x,y,z |
1_555 |
24 |
13 |
19498 |
167.1 |
-3.5 |
0.297 |
0 |
0 |
0 |
0.081 |
| Average: |
171.4 |
-3.5 |
0.293 |
0 |
0 |
0 |
0.081 |
| 15 |
38 |
|
[CPZ]B:503 |
12 |
1 |
341 |
f |
B |
x,y,z |
1_555 |
26 |
14 |
19177 |
174.6 |
-3.4 |
0.330 |
0 |
0 |
0 |
0.011 |
| 16 |
39 |
|
D |
22 |
10 |
19498 |
◊ |
C |
x,y,z |
1_555 |
23 |
8 |
19620 |
173.8 |
0.7 |
0.726 |
1 |
3 |
0 |
0.000 |
| 17 |
40 |
|
[CPZ]E:503 |
12 |
1 |
343 |
f |
E |
x,y,z |
1_555 |
28 |
14 |
19547 |
171.3 |
-3.5 |
0.299 |
0 |
0 |
0 |
0.011 |
| 18 |
41 |
|
[SUC]A:504 |
16 |
1 |
438 |
◊ |
D |
x,y,z |
1_555 |
22 |
6 |
19498 |
141.7 |
1.2 |
0.416 |
2 |
0 |
0 |
0.000 |
| 19 |
42 |
|
B |
13 |
4 |
19177 |
◊ |
A |
x-1,y,z |
1_455 |
15 |
5 |
19895 |
122.1 |
-1.4 |
0.352 |
0 |
0 |
0 |
0.000 |
| 20 |
43 |
|
[CM5]A:505 |
6 |
1 |
229 |
◊ |
A |
x,y,z |
1_555 |
19 |
6 |
19895 |
113.0 |
2.4 |
0.123 |
0 |
0 |
0 |
0.000 |
| 21 |
44 |
|
[GOL]A:506 |
6 |
1 |
221 |
f |
A |
x,y,z |
1_555 |
24 |
8 |
19895 |
105.0 |
-1.3 |
0.431 |
0 |
0 |
0 |
0.010 |
| 22 |
45 |
|
[GOL]E:505 |
5 |
1 |
220 |
f |
E |
x,y,z |
1_555 |
21 |
7 |
19547 |
104.3 |
-1.5 |
0.444 |
1 |
0 |
0 |
0.006 |
| 23 |
46 |
|
E |
11 |
3 |
19547 |
◊ |
D |
x-1,y,z |
1_455 |
16 |
5 |
19498 |
98.5 |
-0.3 |
0.606 |
0 |
0 |
0 |
0.000 |
| 24 |
47 |
|
[GOL]B:504 |
6 |
1 |
218 |
f |
B |
x,y,z |
1_555 |
17 |
7 |
19177 |
94.0 |
-0.9 |
0.478 |
0 |
0 |
0 |
0.003 |
| 25 |
48 |
|
[GOL]C:504 |
5 |
1 |
222 |
f |
C |
x,y,z |
1_555 |
14 |
6 |
19620 |
88.1 |
-1.1 |
0.404 |
0 |
0 |
0 |
0.009 |
| 26 |
49 |
|
[CPZ]F:502 |
6 |
1 |
336 |
cf |
[HEM]F:501 |
x,y,z |
1_555 |
23 |
1 |
819 |
62.8 |
0.7 |
0.800 |
0 |
0 |
0 |
0.000 |
| 27 |
50 |
|
[CPZ]E:503 |
8 |
1 |
343 |
f |
[HEM]E:501 |
x,y,z |
1_555 |
18 |
1 |
828 |
62.8 |
-1.3 |
0.708 |
0 |
0 |
0 |
0.004 |
| 28 |
51 |
|
[CPZ]A:502 |
5 |
1 |
336 |
f |
[HEM]A:501 |
x,y,z |
1_555 |
23 |
1 |
801 |
61.6 |
0.7 |
0.828 |
0 |
0 |
0 |
0.000 |
52 |
|
[CPZ]E:502 |
4 |
1 |
337 |
f |
[HEM]E:501 |
x,y,z |
1_555 |
23 |
1 |
828 |
61.2 |
0.7 |
0.870 |
0 |
0 |
0 |
0.000 |
53 |
|
[CPZ]D:503 |
5 |
1 |
339 |
f |
[HEM]D:501 |
x,y,z |
1_555 |
22 |
1 |
826 |
59.7 |
0.5 |
0.828 |
0 |
0 |
0 |
0.000 |
54 |
|
[CPZ]B:502 |
4 |
1 |
339 |
f |
[HEM]B:501 |
x,y,z |
1_555 |
22 |
1 |
824 |
59.6 |
0.4 |
0.870 |
0 |
0 |
0 |
0.000 |
| Average: |
60.5 |
0.6 |
0.849 |
0 |
0 |
0 |
0.000 |
| 29 |
55 |
|
[CPZ]D:502 |
8 |
1 |
337 |
f |
[HEM]D:501 |
x,y,z |
1_555 |
15 |
1 |
826 |
60.5 |
-1.6 |
0.708 |
0 |
0 |
0 |
0.027 |
56 |
|
[CPZ]C:503 |
8 |
1 |
337 |
f |
[HEM]C:501 |
x,y,z |
1_555 |
16 |
1 |
821 |
59.6 |
-0.9 |
0.721 |
0 |
0 |
0 |
0.027 |
57 |
|
[CPZ]A:503 |
9 |
1 |
339 |
f |
[HEM]A:501 |
x,y,z |
1_555 |
15 |
1 |
801 |
56.4 |
-1.0 |
0.724 |
0 |
0 |
0 |
0.027 |
58 |
|
[CPZ]F:503 |
7 |
1 |
340 |
f |
[HEM]F:501 |
x,y,z |
1_555 |
16 |
1 |
819 |
54.0 |
-0.7 |
0.702 |
0 |
0 |
0 |
0.027 |
| Average: |
57.6 |
-1.0 |
0.714 |
0 |
0 |
0 |
0.027 |
| 30 |
59 |
|
[CPZ]B:503 |
11 |
1 |
341 |
f |
[CPZ]B:502 |
x,y,z |
1_555 |
8 |
1 |
339 |
59.7 |
3.0 |
0.614 |
0 |
0 |
0 |
0.000 |
| 31 |
60 |
|
[CPZ]C:502 |
6 |
1 |
336 |
f |
[HEM]C:501 |
x,y,z |
1_555 |
22 |
1 |
821 |
59.6 |
0.5 |
0.800 |
0 |
0 |
0 |
0.000 |
| 32 |
61 |
|
[CPZ]E:503 |
10 |
1 |
343 |
f |
[CPZ]E:502 |
x,y,z |
1_555 |
11 |
1 |
337 |
59.0 |
2.7 |
0.610 |
0 |
0 |
0 |
0.000 |
| 33 |
62 |
|
[CPZ]C:503 |
10 |
1 |
337 |
f |
[CPZ]C:502 |
x,y,z |
1_555 |
11 |
1 |
336 |
57.6 |
2.9 |
0.621 |
0 |
0 |
0 |
0.000 |
63 |
|
[CPZ]D:503 |
11 |
1 |
339 |
f |
[CPZ]D:502 |
x,y,z |
1_555 |
10 |
1 |
337 |
56.6 |
2.8 |
0.610 |
0 |
0 |
0 |
0.000 |
64 |
|
[CPZ]F:503 |
10 |
1 |
340 |
f |
[CPZ]F:502 |
x,y,z |
1_555 |
11 |
1 |
336 |
56.2 |
2.4 |
0.599 |
0 |
0 |
0 |
0.000 |
65 |
|
[CPZ]A:503 |
9 |
1 |
339 |
f |
[CPZ]A:502 |
x,y,z |
1_555 |
11 |
1 |
336 |
55.7 |
2.7 |
0.602 |
0 |
0 |
0 |
0.000 |
| Average: |
56.5 |
2.7 |
0.608 |
0 |
0 |
0 |
0.000 |
| 34 |
66 |
|
[CPZ]B:503 |
9 |
1 |
341 |
f |
[HEM]B:501 |
x,y,z |
1_555 |
15 |
1 |
824 |
55.3 |
-0.1 |
0.751 |
0 |
0 |
0 |
0.000 |
| 35 |
67 |
|
[CM5]A:505 |
4 |
1 |
229 |
f |
D |
x,y-1,z |
1_545 |
9 |
3 |
19498 |
49.8 |
-0.1 |
0.065 |
0 |
0 |
0 |
0.000 |
| 36 |
68 |
|
F |
4 |
3 |
19781 |
◊ |
D |
x-1,y,z |
1_455 |
9 |
4 |
19498 |
40.0 |
-0.7 |
0.378 |
0 |
0 |
0 |
0.000 |
| 37 |
69 |
|
[CM5]E:504 |
4 |
1 |
375 |
f |
F |
x,y-1,z |
1_545 |
4 |
2 |
19781 |
38.5 |
0.6 |
0.061 |
0 |
0 |
0 |
0.000 |
| 38 |
70 |
|
[CM5]A:505 |
3 |
1 |
229 |
◊ |
C |
x,y-1,z+1 |
1_546 |
2 |
1 |
19620 |
34.6 |
0.6 |
0.078 |
0 |
0 |
0 |
0.000 |
| 39 |
71 |
|
F |
4 |
2 |
19781 |
◊ |
E |
x,y,z |
1_555 |
4 |
1 |
19547 |
33.2 |
-0.7 |
0.312 |
0 |
0 |
0 |
0.000 |
|