## |
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 |
212 |
52 |
16287 |
◊ |
A |
x,y,z |
1_555 |
220 |
54 |
16424 |
1974.7 |
-5.2 |
0.441 |
40 |
19 |
0 |
0.373 |
2 |
|
F |
215 |
53 |
16661 |
◊ |
E |
x,y,z |
1_555 |
212 |
54 |
16351 |
1952.2 |
-6.1 |
0.391 |
39 |
19 |
0 |
0.373 |
3 |
|
H |
210 |
52 |
16394 |
◊ |
G |
x,y,z |
1_555 |
200 |
54 |
16523 |
1874.0 |
-5.5 |
0.417 |
37 |
19 |
0 |
0.373 |
4 |
|
D |
197 |
53 |
16484 |
◊ |
C |
x,y,z |
1_555 |
202 |
54 |
16499 |
1861.2 |
-6.5 |
0.353 |
37 |
19 |
0 |
0.373 |
Average: |
1915.5 |
-5.8 |
0.400 |
38 |
19 |
0 |
0.373 |
2 |
5 |
|
C |
69 |
20 |
16499 |
◊ |
B |
x,y,z |
1_555 |
72 |
21 |
16287 |
588.8 |
-0.9 |
0.539 |
6 |
0 |
0 |
0.000 |
6 |
|
G |
58 |
19 |
16523 |
◊ |
F |
x,y,z |
1_555 |
49 |
17 |
16661 |
498.7 |
0.4 |
0.524 |
6 |
2 |
0 |
0.000 |
7 |
|
E |
55 |
17 |
16351 |
◊ |
H |
x,y,z-1 |
1_554 |
48 |
15 |
16394 |
457.2 |
0.4 |
0.595 |
4 |
1 |
0 |
0.000 |
8 |
|
A |
43 |
16 |
16424 |
◊ |
D |
x,y,z-1 |
1_554 |
44 |
14 |
16484 |
346.1 |
-0.5 |
0.533 |
2 |
0 |
0 |
0.000 |
Average: |
472.7 |
-0.2 |
0.548 |
5 |
1 |
0 |
0.000 |
3 |
9 |
|
F |
52 |
19 |
16661 |
◊ |
B |
x-1,y,z |
1_455 |
64 |
19 |
16287 |
547.4 |
-2.5 |
0.308 |
6 |
4 |
0 |
0.000 |
10 |
|
G |
65 |
19 |
16523 |
◊ |
C |
x,y,z |
1_555 |
58 |
20 |
16499 |
543.2 |
-2.8 |
0.309 |
6 |
4 |
0 |
0.000 |
11 |
|
E |
64 |
19 |
16351 |
◊ |
A |
x,y,z |
1_555 |
54 |
17 |
16424 |
532.5 |
-2.2 |
0.359 |
6 |
4 |
0 |
0.000 |
12 |
|
H |
60 |
19 |
16394 |
◊ |
D |
x-1,y,z |
1_455 |
67 |
20 |
16484 |
527.7 |
-3.5 |
0.270 |
6 |
3 |
0 |
0.000 |
Average: |
537.7 |
-2.8 |
0.312 |
6 |
4 |
0 |
0.000 |
4 |
13 |
|
B |
54 |
15 |
16287 |
◊ |
E |
-x-1,y-1/2,-z |
2_445 |
60 |
15 |
16351 |
519.6 |
-3.5 |
0.304 |
3 |
0 |
0 |
0.000 |
5 |
14 |
|
D |
56 |
18 |
16484 |
◊ |
G |
-x-1,y-1/2,-z+1 |
2_446 |
57 |
18 |
16523 |
517.2 |
-5.0 |
0.180 |
2 |
0 |
0 |
0.000 |
6 |
15 |
|
C |
34 |
9 |
16499 |
◊ |
A |
-x-1,y-1/2,-z |
2_445 |
33 |
10 |
16424 |
293.8 |
-0.3 |
0.433 |
2 |
2 |
0 |
0.000 |
16 |
|
F |
33 |
9 |
16661 |
◊ |
H |
-x-2,y-1/2,-z+1 |
2_346 |
36 |
10 |
16394 |
287.7 |
1.1 |
0.552 |
3 |
2 |
0 |
0.000 |
Average: |
290.7 |
0.4 |
0.493 |
3 |
2 |
0 |
0.000 |
7 |
17 |
|
F |
27 |
9 |
16661 |
◊ |
A |
-x-1,y-1/2,-z |
2_445 |
28 |
9 |
16424 |
243.9 |
0.3 |
0.609 |
1 |
6 |
0 |
0.000 |
8 |
18 |
|
A |
22 |
7 |
16424 |
◊ |
C |
-x-1,y-1/2,-z |
2_445 |
25 |
11 |
16499 |
206.9 |
2.5 |
0.804 |
3 |
1 |
0 |
0.000 |
19 |
|
H |
26 |
11 |
16394 |
◊ |
F |
-x-2,y-1/2,-z+1 |
2_346 |
23 |
7 |
16661 |
203.1 |
3.2 |
0.846 |
3 |
1 |
0 |
0.000 |
Average: |
205.0 |
2.8 |
0.825 |
3 |
1 |
0 |
0.000 |
9 |
20 |
|
G |
27 |
10 |
16523 |
◊ |
D |
-x-1,y-1/2,-z+1 |
2_446 |
23 |
9 |
16484 |
186.6 |
-1.9 |
0.319 |
0 |
1 |
0 |
0.000 |
10 |
21 |
|
[5TX]D:503 |
12 |
1 |
321 |
f |
D |
x,y,z |
1_555 |
33 |
16 |
16484 |
183.5 |
-0.5 |
0.638 |
9 |
0 |
0 |
0.135 |
22 |
|
[5TX]E:503 |
12 |
1 |
318 |
f |
E |
x,y,z |
1_555 |
32 |
16 |
16351 |
182.9 |
-0.7 |
0.626 |
9 |
0 |
0 |
0.135 |
23 |
|
[5TX]B:502 |
12 |
1 |
318 |
f |
B |
x,y,z |
1_555 |
31 |
16 |
16287 |
182.6 |
-0.7 |
0.633 |
9 |
0 |
0 |
0.135 |
24 |
|
[5TX]H:503 |
12 |
1 |
318 |
f |
H |
x,y,z |
1_555 |
34 |
16 |
16394 |
182.3 |
-0.7 |
0.627 |
9 |
0 |
0 |
0.135 |
25 |
|
[5TX]C:503 |
12 |
1 |
319 |
f |
C |
x,y,z |
1_555 |
35 |
17 |
16499 |
181.8 |
-0.6 |
0.637 |
9 |
0 |
0 |
0.135 |
26 |
|
[5TX]G:503 |
12 |
1 |
320 |
f |
G |
x,y,z |
1_555 |
34 |
16 |
16523 |
181.8 |
-0.6 |
0.636 |
8 |
0 |
0 |
0.135 |
27 |
|
[5TX]A:502 |
12 |
1 |
319 |
f |
A |
x,y,z |
1_555 |
33 |
17 |
16424 |
175.3 |
-0.9 |
0.609 |
10 |
0 |
0 |
0.135 |
28 |
|
[5TX]F:503 |
12 |
1 |
319 |
f |
F |
x,y,z |
1_555 |
31 |
17 |
16661 |
175.0 |
0.9 |
0.675 |
10 |
0 |
0 |
0.135 |
Average: |
180.7 |
-0.5 |
0.635 |
9 |
0 |
0 |
0.135 |
11 |
29 |
|
[PGE]G:502 |
10 |
1 |
338 |
◊ |
G |
x,y,z |
1_555 |
24 |
5 |
16523 |
156.7 |
4.2 |
0.236 |
2 |
0 |
0 |
0.000 |
12 |
30 |
|
[PGE]C:502 |
10 |
1 |
337 |
◊ |
C |
x,y,z |
1_555 |
23 |
5 |
16499 |
153.4 |
3.4 |
0.161 |
0 |
0 |
0 |
0.000 |
13 |
31 |
|
[PGE]E:502 |
10 |
1 |
335 |
◊ |
E |
x,y,z |
1_555 |
25 |
5 |
16351 |
151.3 |
4.1 |
0.238 |
2 |
0 |
0 |
0.000 |
32 |
|
[PGE]D:502 |
10 |
1 |
336 |
◊ |
D |
x,y,z |
1_555 |
24 |
5 |
16484 |
149.2 |
4.0 |
0.200 |
2 |
0 |
0 |
0.000 |
Average: |
150.2 |
4.0 |
0.219 |
2 |
0 |
0 |
0.000 |
14 |
33 |
|
[PGE]F:502 |
9 |
1 |
336 |
◊ |
F |
x,y,z |
1_555 |
23 |
5 |
16661 |
148.4 |
4.0 |
0.276 |
0 |
0 |
0 |
0.000 |
15 |
34 |
|
E |
20 |
7 |
16351 |
◊ |
B |
-x-1,y-1/2,-z |
2_445 |
20 |
7 |
16287 |
143.8 |
-1.7 |
0.317 |
0 |
1 |
0 |
0.000 |
16 |
35 |
|
[PGE]H:502 |
10 |
1 |
336 |
◊ |
H |
x,y,z |
1_555 |
22 |
4 |
16394 |
143.5 |
3.2 |
0.169 |
1 |
0 |
0 |
0.000 |
17 |
36 |
|
[MG]B:500 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
10 |
7 |
16287 |
39.7 |
-6.3 |
0.000 |
0 |
0 |
0 |
0.181 |
37 |
|
[MG]E:501 |
1 |
1 |
98 |
f |
E |
x,y,z |
1_555 |
12 |
8 |
16351 |
39.5 |
-6.2 |
0.000 |
0 |
0 |
0 |
0.181 |
38 |
|
[MG]D:501 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
11 |
8 |
16484 |
39.3 |
-6.2 |
0.000 |
0 |
0 |
0 |
0.181 |
39 |
|
[MG]H:501 |
1 |
1 |
98 |
f |
H |
x,y,z |
1_555 |
11 |
8 |
16394 |
39.2 |
-6.3 |
0.000 |
0 |
0 |
0 |
0.181 |
40 |
|
[MG]G:501 |
1 |
1 |
98 |
f |
G |
x,y,z |
1_555 |
14 |
9 |
16523 |
38.8 |
-6.2 |
0.000 |
0 |
0 |
0 |
0.181 |
41 |
|
[MG]C:501 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
11 |
8 |
16499 |
38.6 |
-6.2 |
0.000 |
0 |
0 |
0 |
0.181 |
42 |
|
[MG]A:500 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
11 |
8 |
16424 |
37.9 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.181 |
43 |
|
[MG]F:501 |
1 |
1 |
98 |
f |
F |
x,y,z |
1_555 |
11 |
8 |
16661 |
37.7 |
-6.2 |
0.000 |
0 |
0 |
0 |
0.181 |
Average: |
38.8 |
-6.1 |
0.000 |
0 |
0 |
0 |
0.181 |
18 |
44 |
|
[MG]E:500 |
1 |
1 |
98 |
f |
E |
x,y,z |
1_555 |
9 |
8 |
16351 |
35.3 |
-5.9 |
0.000 |
0 |
0 |
0 |
0.171 |
45 |
|
[MG]C:500 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
9 |
8 |
16499 |
35.2 |
-5.9 |
0.000 |
0 |
0 |
0 |
0.171 |
46 |
|
[MG]D:500 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
11 |
9 |
16484 |
35.2 |
-5.9 |
0.000 |
0 |
0 |
0 |
0.171 |
47 |
|
[MG]B:501 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
10 |
8 |
16287 |
35.2 |
-6.0 |
0.000 |
0 |
0 |
0 |
0.171 |
48 |
|
[MG]H:500 |
1 |
1 |
98 |
f |
H |
x,y,z |
1_555 |
9 |
9 |
16394 |
35.0 |
-5.9 |
0.000 |
0 |
0 |
0 |
0.171 |
49 |
|
[MG]G:500 |
1 |
1 |
98 |
f |
G |
x,y,z |
1_555 |
11 |
10 |
16523 |
34.9 |
-5.9 |
0.000 |
0 |
0 |
0 |
0.171 |
50 |
|
[MG]A:501 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
10 |
9 |
16424 |
34.2 |
-5.9 |
0.000 |
0 |
0 |
0 |
0.171 |
51 |
|
[MG]F:500 |
1 |
1 |
98 |
f |
F |
x,y,z |
1_555 |
9 |
8 |
16661 |
34.1 |
-5.9 |
0.000 |
0 |
0 |
0 |
0.171 |
Average: |
34.9 |
-5.9 |
0.000 |
0 |
0 |
0 |
0.171 |
19 |
52 |
|
[5TX]G:503 |
4 |
1 |
320 |
f |
[MG]G:501 |
x,y,z |
1_555 |
1 |
1 |
98 |
29.8 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.094 |
53 |
|
[5TX]A:502 |
5 |
1 |
319 |
f |
[MG]A:500 |
x,y,z |
1_555 |
1 |
1 |
98 |
29.7 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.094 |
54 |
|
[5TX]D:503 |
4 |
1 |
321 |
f |
[MG]D:501 |
x,y,z |
1_555 |
1 |
1 |
98 |
29.6 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.094 |
55 |
|
[5TX]E:503 |
4 |
1 |
318 |
f |
[MG]E:501 |
x,y,z |
1_555 |
1 |
1 |
98 |
29.5 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.094 |
56 |
|
[5TX]C:503 |
4 |
1 |
319 |
f |
[MG]C:501 |
x,y,z |
1_555 |
1 |
1 |
98 |
29.4 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.094 |
57 |
|
[5TX]F:503 |
5 |
1 |
319 |
f |
[MG]F:501 |
x,y,z |
1_555 |
1 |
1 |
98 |
29.4 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.094 |
58 |
|
[5TX]B:502 |
4 |
1 |
318 |
f |
[MG]B:500 |
x,y,z |
1_555 |
1 |
1 |
98 |
29.3 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.094 |
59 |
|
[5TX]H:503 |
5 |
1 |
318 |
f |
[MG]H:501 |
x,y,z |
1_555 |
1 |
1 |
98 |
29.2 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.094 |
Average: |
29.5 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.094 |
20 |
60 |
|
[5TX]G:503 |
3 |
1 |
320 |
f |
[MG]G:500 |
x,y,z |
1_555 |
1 |
1 |
98 |
28.3 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.080 |
61 |
|
[5TX]D:503 |
3 |
1 |
321 |
f |
[MG]D:500 |
x,y,z |
1_555 |
1 |
1 |
98 |
28.1 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.080 |
62 |
|
[5TX]H:503 |
3 |
1 |
318 |
f |
[MG]H:500 |
x,y,z |
1_555 |
1 |
1 |
98 |
28.1 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.080 |
63 |
|
[5TX]F:503 |
3 |
1 |
319 |
f |
[MG]F:500 |
x,y,z |
1_555 |
1 |
1 |
98 |
28.1 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.080 |
64 |
|
[5TX]E:503 |
3 |
1 |
318 |
f |
[MG]E:500 |
x,y,z |
1_555 |
1 |
1 |
98 |
28.0 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.080 |
65 |
|
[5TX]C:503 |
3 |
1 |
319 |
f |
[MG]C:500 |
x,y,z |
1_555 |
1 |
1 |
98 |
27.9 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.080 |
66 |
|
[5TX]B:502 |
4 |
1 |
318 |
f |
[MG]B:501 |
x,y,z |
1_555 |
1 |
1 |
98 |
27.8 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.080 |
67 |
|
[5TX]A:502 |
3 |
1 |
319 |
f |
[MG]A:501 |
x,y,z |
1_555 |
1 |
1 |
98 |
27.8 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.080 |
Average: |
28.0 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.080 |
21 |
68 |
|
H |
4 |
2 |
16394 |
◊ |
C |
-x-1,y-1/2,-z+1 |
2_446 |
5 |
2 |
16499 |
27.8 |
0.1 |
0.644 |
0 |
0 |
0 |
0.000 |
22 |
69 |
|
[PGE]G:502 |
3 |
1 |
338 |
f |
H |
x,y,z |
1_555 |
4 |
2 |
16394 |
22.2 |
0.9 |
0.346 |
0 |
0 |
0 |
0.000 |
23 |
70 |
|
[PGE]F:502 |
1 |
1 |
336 |
◊ |
E |
x,y,z |
1_555 |
4 |
1 |
16351 |
21.7 |
0.7 |
0.478 |
0 |
0 |
0 |
0.000 |
24 |
71 |
|
[PGE]H:502 |
3 |
1 |
336 |
◊ |
G |
x,y,z |
1_555 |
3 |
1 |
16523 |
21.3 |
0.8 |
0.296 |
0 |
0 |
0 |
0.000 |
25 |
72 |
|
[PGE]D:502 |
3 |
1 |
336 |
f |
C |
x,y,z |
1_555 |
3 |
1 |
16499 |
21.2 |
0.8 |
0.344 |
0 |
0 |
0 |
0.000 |
26 |
73 |
|
D |
2 |
1 |
16484 |
x |
D |
-x-1,y-1/2,-z+1 |
2_446 |
1 |
1 |
16484 |
20.5 |
1.0 |
0.906 |
1 |
1 |
0 |
0.000 |
27 |
74 |
|
[PGE]C:502 |
2 |
1 |
337 |
◊ |
D |
x,y,z |
1_555 |
3 |
1 |
16484 |
19.4 |
0.7 |
0.417 |
0 |
0 |
0 |
0.000 |
28 |
75 |
|
[PGE]H:502 |
2 |
1 |
336 |
f |
D |
x-1,y,z |
1_455 |
2 |
1 |
16484 |
11.9 |
0.5 |
0.391 |
0 |
0 |
0 |
0.000 |
29 |
76 |
|
[PGE]E:502 |
2 |
1 |
335 |
f |
F |
x,y,z |
1_555 |
3 |
1 |
16661 |
11.1 |
0.5 |
0.365 |
0 |
0 |
0 |
0.000 |
30 |
77 |
|
[PGE]C:502 |
1 |
1 |
337 |
f |
G |
x,y,z |
1_555 |
2 |
1 |
16523 |
10.3 |
-0.2 |
0.261 |
0 |
0 |
0 |
0.003 |
31 |
78 |
|
[MG]C:501 |
1 |
1 |
98 |
f |
[MG]C:500 |
x,y,z |
1_555 |
1 |
1 |
98 |
7.9 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.023 |
32 |
79 |
|
[MG]H:501 |
1 |
1 |
98 |
f |
[MG]H:500 |
x,y,z |
1_555 |
1 |
1 |
98 |
7.8 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.023 |
33 |
80 |
|
[MG]F:501 |
1 |
1 |
98 |
f |
[MG]F:500 |
x,y,z |
1_555 |
1 |
1 |
98 |
7.8 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.022 |
34 |
81 |
|
[MG]A:501 |
1 |
1 |
98 |
f |
[MG]A:500 |
x,y,z |
1_555 |
1 |
1 |
98 |
7.7 |
-1.5 |
0.000 |
0 |
0 |
0 |
0.021 |
35 |
82 |
|
[MG]B:501 |
1 |
1 |
98 |
f |
[MG]B:500 |
x,y,z |
1_555 |
1 |
1 |
98 |
7.5 |
-1.5 |
0.000 |
0 |
0 |
0 |
0.020 |
36 |
83 |
|
[MG]E:501 |
1 |
1 |
98 |
f |
[MG]E:500 |
x,y,z |
1_555 |
1 |
1 |
98 |
7.4 |
-1.5 |
0.000 |
0 |
0 |
0 |
0.021 |
37 |
84 |
|
[MG]D:501 |
1 |
1 |
98 |
f |
[MG]D:500 |
x,y,z |
1_555 |
1 |
1 |
98 |
7.4 |
-1.5 |
0.000 |
0 |
0 |
0 |
0.021 |
38 |
85 |
|
[MG]G:501 |
1 |
1 |
98 |
f |
[MG]G:500 |
x,y,z |
1_555 |
1 |
1 |
98 |
7.1 |
-1.4 |
0.000 |
0 |
0 |
0 |
0.021 |
39 |
86 |
|
[PGE]F:502 |
2 |
1 |
336 |
f |
B |
x-1,y,z |
1_455 |
2 |
1 |
16287 |
4.5 |
0.2 |
0.280 |
0 |
0 |
0 |
0.000 |
|