## |
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 |
214 |
61 |
16480 |
◊ |
B |
x,y,z |
1_555 |
214 |
62 |
16758 |
2045.4 |
-22.7 |
0.030 |
37 |
6 |
0 |
0.341 |
2 |
|
C |
208 |
62 |
16504 |
◊ |
A |
x,y,z |
1_555 |
211 |
62 |
16479 |
2035.9 |
-21.7 |
0.035 |
34 |
4 |
0 |
0.341 |
Average: |
2040.6 |
-22.2 |
0.032 |
36 |
5 |
0 |
0.341 |
2 |
3 |
|
B |
104 |
29 |
16758 |
◊ |
A |
x,y,z |
1_555 |
114 |
31 |
16479 |
937.2 |
-11.1 |
0.102 |
10 |
4 |
0 |
0.168 |
4 |
|
D |
114 |
33 |
16480 |
◊ |
C |
x,y,z |
1_555 |
105 |
31 |
16504 |
909.7 |
-10.6 |
0.092 |
8 |
6 |
0 |
0.168 |
Average: |
923.5 |
-10.8 |
0.097 |
9 |
5 |
0 |
0.168 |
3 |
5 |
|
D |
57 |
17 |
16480 |
◊ |
C |
-x+1,y-1/2,-z+1 |
2_646 |
56 |
18 |
16504 |
543.2 |
0.8 |
0.662 |
9 |
5 |
0 |
0.000 |
4 |
6 |
|
B |
46 |
14 |
16758 |
◊ |
D |
x-1,y,z |
1_455 |
41 |
15 |
16480 |
387.3 |
3.1 |
0.859 |
5 |
3 |
0 |
0.000 |
5 |
7 |
|
[1PE]B:1006 |
16 |
1 |
483 |
f |
B |
x,y,z |
1_555 |
38 |
14 |
16758 |
295.7 |
-1.8 |
0.506 |
3 |
0 |
0 |
0.033 |
6 |
8 |
|
[1PE]D:1005 |
16 |
1 |
491 |
f |
D |
x,y,z |
1_555 |
36 |
12 |
16480 |
284.7 |
-1.8 |
0.490 |
3 |
0 |
0 |
0.031 |
9 |
|
[1PE]A:1005 |
16 |
1 |
476 |
f |
A |
x,y,z |
1_555 |
38 |
13 |
16479 |
267.6 |
-1.4 |
0.513 |
3 |
0 |
0 |
0.031 |
Average: |
276.1 |
-1.6 |
0.502 |
3 |
0 |
0 |
0.031 |
7 |
10 |
|
[1PE]C:1005 |
16 |
1 |
482 |
◊ |
C |
x,y,z |
1_555 |
30 |
12 |
16504 |
238.2 |
-0.2 |
0.557 |
2 |
0 |
0 |
0.011 |
8 |
11 |
|
D |
28 |
8 |
16480 |
◊ |
C |
-x+1,y-1/2,-z |
2_645 |
28 |
9 |
16504 |
229.1 |
-2.2 |
0.315 |
2 |
0 |
0 |
0.000 |
9 |
12 |
|
A |
29 |
12 |
16479 |
◊ |
C |
-x,y-1/2,-z |
2_545 |
22 |
9 |
16504 |
205.9 |
-1.7 |
0.395 |
2 |
0 |
0 |
0.000 |
10 |
13 |
|
[1PE]B:1005 |
16 |
1 |
435 |
f |
B |
x,y,z |
1_555 |
23 |
9 |
16758 |
195.9 |
-1.9 |
0.422 |
4 |
0 |
0 |
0.038 |
11 |
14 |
|
[1PE]A:1004 |
15 |
1 |
459 |
◊ |
A |
x,y,z |
1_555 |
19 |
8 |
16479 |
183.4 |
-0.3 |
0.639 |
1 |
0 |
0 |
0.008 |
12 |
15 |
|
[1PE]C:1004 |
14 |
1 |
486 |
◊ |
C |
x,y,z |
1_555 |
21 |
8 |
16504 |
173.2 |
-0.2 |
0.602 |
2 |
0 |
0 |
0.011 |
13 |
16 |
|
[1PE]B:1007 |
13 |
1 |
482 |
f |
D |
x,y,z |
1_555 |
19 |
7 |
16480 |
164.0 |
-1.5 |
0.459 |
1 |
0 |
0 |
0.020 |
14 |
17 |
|
D |
14 |
4 |
16480 |
◊ |
A |
x,y,z |
1_555 |
16 |
4 |
16479 |
149.4 |
-1.3 |
0.258 |
3 |
0 |
0 |
0.019 |
18 |
|
C |
14 |
4 |
16504 |
◊ |
B |
x,y,z |
1_555 |
15 |
4 |
16758 |
145.3 |
-1.4 |
0.225 |
3 |
0 |
0 |
0.019 |
Average: |
147.4 |
-1.4 |
0.241 |
3 |
0 |
0 |
0.019 |
15 |
19 |
|
[1PE]B:1007 |
9 |
1 |
482 |
◊ |
C |
x,y,z |
1_555 |
23 |
7 |
16504 |
140.6 |
-0.9 |
0.484 |
1 |
0 |
0 |
0.014 |
16 |
20 |
|
[1PE]C:1004 |
10 |
1 |
486 |
f |
D |
x,y,z |
1_555 |
20 |
6 |
16480 |
140.6 |
-2.2 |
0.310 |
1 |
0 |
0 |
0.027 |
17 |
21 |
|
[PGO]D:1004 |
5 |
1 |
211 |
◊ |
D |
x,y,z |
1_555 |
21 |
7 |
16480 |
133.8 |
3.8 |
0.394 |
3 |
0 |
0 |
0.000 |
18 |
22 |
|
[1PE]C:1005 |
12 |
1 |
482 |
f |
D |
x,y,z |
1_555 |
15 |
6 |
16480 |
133.7 |
-1.8 |
0.337 |
1 |
0 |
0 |
0.022 |
19 |
23 |
|
[PGO]B:1004 |
5 |
1 |
207 |
f |
B |
x,y,z |
1_555 |
22 |
8 |
16758 |
130.8 |
4.0 |
0.389 |
3 |
0 |
0 |
0.000 |
20 |
24 |
|
[PGO]B:1003 |
5 |
1 |
210 |
f |
B |
x,y,z |
1_555 |
18 |
9 |
16758 |
128.2 |
5.0 |
0.552 |
5 |
0 |
0 |
0.000 |
21 |
25 |
|
[PGO]D:1003 |
5 |
1 |
210 |
f |
D |
x,y,z |
1_555 |
19 |
9 |
16480 |
127.8 |
4.9 |
0.656 |
3 |
0 |
0 |
0.000 |
22 |
26 |
|
[PGO]C:1003 |
5 |
1 |
209 |
f |
C |
x,y,z |
1_555 |
18 |
9 |
16504 |
127.3 |
4.9 |
0.552 |
5 |
0 |
0 |
0.000 |
27 |
|
[PGO]A:1003 |
5 |
1 |
208 |
f |
A |
x,y,z |
1_555 |
18 |
9 |
16479 |
125.5 |
4.9 |
0.543 |
5 |
0 |
0 |
0.000 |
Average: |
126.4 |
4.9 |
0.548 |
5 |
0 |
0 |
0.000 |
23 |
28 |
|
A |
11 |
4 |
16479 |
◊ |
B |
x,y,z-1 |
1_554 |
12 |
5 |
16758 |
124.4 |
0.6 |
0.720 |
2 |
0 |
0 |
0.000 |
24 |
29 |
|
A |
15 |
5 |
16479 |
x |
A |
-x,y-1/2,-z |
2_545 |
13 |
6 |
16479 |
122.5 |
2.1 |
0.868 |
2 |
3 |
0 |
0.000 |
25 |
30 |
|
[1PE]A:1004 |
11 |
1 |
459 |
f |
B |
x,y,z |
1_555 |
16 |
5 |
16758 |
110.6 |
-1.8 |
0.405 |
0 |
0 |
0 |
0.018 |
26 |
31 |
|
A |
11 |
5 |
16479 |
◊ |
D |
x-1,y,z-1 |
1_454 |
13 |
5 |
16480 |
110.0 |
2.0 |
0.849 |
2 |
3 |
0 |
0.000 |
27 |
32 |
|
[1PE]A:1005 |
9 |
1 |
476 |
◊ |
B |
x,y,z |
1_555 |
14 |
5 |
16758 |
105.5 |
-0.6 |
0.473 |
0 |
0 |
0 |
0.018 |
33 |
|
[1PE]D:1005 |
9 |
1 |
491 |
◊ |
C |
x,y,z |
1_555 |
12 |
4 |
16504 |
98.6 |
-0.9 |
0.413 |
2 |
0 |
0 |
0.018 |
Average: |
102.0 |
-0.7 |
0.443 |
1 |
0 |
0 |
0.018 |
28 |
34 |
|
[1PE]B:1005 |
8 |
1 |
435 |
◊ |
A |
x,y,z |
1_555 |
14 |
5 |
16479 |
100.1 |
-0.3 |
0.571 |
0 |
0 |
0 |
0.003 |
29 |
35 |
|
[1PE]C:1004 |
9 |
1 |
486 |
◊ |
A |
x,y,z |
1_555 |
11 |
4 |
16479 |
91.8 |
-0.7 |
0.474 |
0 |
0 |
0 |
0.002 |
30 |
36 |
|
[1PE]A:1004 |
7 |
1 |
459 |
◊ |
C |
x,y,z |
1_555 |
12 |
4 |
16504 |
79.5 |
0.3 |
0.602 |
0 |
0 |
0 |
0.000 |
31 |
37 |
|
[1PE]B:1005 |
6 |
1 |
435 |
◊ |
D |
x,y,z |
1_555 |
11 |
4 |
16480 |
73.2 |
0.2 |
0.612 |
1 |
0 |
0 |
0.002 |
32 |
38 |
|
[1PE]B:1006 |
8 |
1 |
483 |
◊ |
A |
x,y,z |
1_555 |
6 |
2 |
16479 |
64.0 |
-0.5 |
0.347 |
0 |
0 |
0 |
0.005 |
33 |
39 |
|
[1PE]B:1007 |
5 |
1 |
482 |
◊ |
B |
x,y,z |
1_555 |
9 |
4 |
16758 |
61.7 |
0.4 |
0.658 |
0 |
0 |
0 |
0.000 |
34 |
40 |
|
[ZN]B:1001 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
9 |
5 |
16758 |
50.6 |
-37.0 |
0.000 |
0 |
0 |
0 |
0.777 |
41 |
|
[ZN]D:1001 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
5 |
5 |
16480 |
50.3 |
-38.1 |
0.000 |
0 |
0 |
0 |
0.777 |
42 |
|
[ZN]A:1001 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
5 |
5 |
16479 |
50.3 |
-37.3 |
0.000 |
0 |
0 |
0 |
0.777 |
43 |
|
[ZN]C:1001 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
7 |
5 |
16504 |
49.9 |
-37.5 |
0.000 |
0 |
0 |
0 |
0.777 |
Average: |
50.3 |
-37.5 |
0.000 |
0 |
0 |
0 |
0.777 |
35 |
44 |
|
D |
4 |
2 |
16480 |
◊ |
A |
-x,y-1/2,-z |
2_545 |
9 |
3 |
16479 |
45.4 |
0.3 |
0.694 |
1 |
0 |
0 |
0.000 |
36 |
45 |
|
B |
5 |
3 |
16758 |
◊ |
C |
x-1,y,z |
1_455 |
5 |
2 |
16504 |
44.9 |
0.6 |
0.770 |
0 |
0 |
0 |
0.000 |
37 |
46 |
|
A |
6 |
2 |
16479 |
◊ |
C |
x-1,y,z |
1_455 |
3 |
1 |
16504 |
43.4 |
-0.1 |
0.453 |
0 |
1 |
0 |
0.000 |
38 |
47 |
|
[1PE]C:1004 |
1 |
1 |
486 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
16758 |
16.9 |
-0.0 |
0.303 |
0 |
0 |
0 |
0.000 |
39 |
48 |
|
[1PE]B:1007 |
1 |
1 |
482 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
16479 |
13.2 |
-0.0 |
0.341 |
0 |
0 |
0 |
0.000 |
40 |
49 |
|
B |
3 |
1 |
16758 |
f |
[PGO]D:1004 |
x-1,y,z |
1_455 |
1 |
1 |
211 |
10.1 |
-0.0 |
0.658 |
0 |
0 |
0 |
0.000 |
41 |
50 |
|
[1PE]C:1004 |
1 |
1 |
486 |
◊ |
[1PE]B:1005 |
x,y,z |
1_555 |
1 |
1 |
435 |
3.7 |
-0.0 |
0.530 |
0 |
0 |
0 |
0.000 |
|