## |
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 |
|
J |
452 |
118 |
18482 |
◊ |
D |
x,y,z |
1_555 |
440 |
119 |
18507 |
4275.4 |
-45.4 |
0.020 |
66 |
19 |
0 |
0.615 |
2 |
|
F |
450 |
119 |
18310 |
◊ |
C |
x,y,z |
1_555 |
446 |
118 |
18233 |
4270.4 |
-45.5 |
0.023 |
65 |
18 |
0 |
0.615 |
3 |
|
G |
449 |
117 |
18530 |
◊ |
B |
x,y,z |
1_555 |
445 |
117 |
18351 |
4253.8 |
-46.1 |
0.022 |
65 |
17 |
0 |
0.615 |
4 |
|
I |
437 |
118 |
18659 |
◊ |
E |
x,y,z |
1_555 |
450 |
121 |
18403 |
4235.2 |
-45.9 |
0.028 |
65 |
16 |
0 |
0.615 |
5 |
|
H |
438 |
118 |
18051 |
◊ |
A |
x,y,z |
1_555 |
427 |
118 |
18019 |
4122.6 |
-46.3 |
0.043 |
63 |
14 |
0 |
0.615 |
Average: |
4231.5 |
-45.8 |
0.027 |
65 |
17 |
0 |
0.615 |
2 |
6 |
|
F |
71 |
19 |
18310 |
◊ |
B |
x,y,z |
1_555 |
69 |
19 |
18351 |
658.4 |
1.9 |
0.875 |
14 |
20 |
0 |
0.051 |
7 |
|
G |
68 |
19 |
18530 |
◊ |
A |
x,y,z |
1_555 |
70 |
19 |
18019 |
646.5 |
3.2 |
0.925 |
14 |
19 |
0 |
0.051 |
8 |
|
H |
66 |
20 |
18051 |
◊ |
E |
x,y,z |
1_555 |
67 |
20 |
18403 |
630.6 |
3.2 |
0.935 |
14 |
20 |
0 |
0.051 |
9 |
|
J |
65 |
19 |
18482 |
◊ |
C |
x,y,z |
1_555 |
67 |
20 |
18233 |
618.8 |
-0.3 |
0.749 |
14 |
19 |
0 |
0.051 |
10 |
|
I |
65 |
18 |
18659 |
◊ |
D |
x,y,z |
1_555 |
66 |
19 |
18507 |
617.0 |
2.1 |
0.864 |
14 |
21 |
0 |
0.051 |
Average: |
634.3 |
2.0 |
0.870 |
14 |
20 |
0 |
0.051 |
3 |
11 |
|
[CAP]B:600 |
20 |
1 |
484 |
f |
B |
x,y,z |
1_555 |
53 |
23 |
18351 |
295.2 |
-5.3 |
0.645 |
18 |
0 |
0 |
0.214 |
12 |
|
[CAP]G:600 |
20 |
1 |
485 |
f |
G |
x,y,z |
1_555 |
54 |
24 |
18530 |
292.2 |
-5.2 |
0.623 |
18 |
0 |
0 |
0.214 |
13 |
|
[CAP]C:600 |
20 |
1 |
484 |
f |
C |
x,y,z |
1_555 |
51 |
24 |
18233 |
291.8 |
-5.2 |
0.655 |
17 |
0 |
0 |
0.214 |
14 |
|
[CAP]E:600 |
20 |
1 |
481 |
f |
E |
x,y,z |
1_555 |
51 |
23 |
18403 |
289.1 |
-6.0 |
0.589 |
17 |
0 |
0 |
0.214 |
15 |
|
[CAP]J:600 |
20 |
1 |
483 |
f |
J |
x,y,z |
1_555 |
52 |
22 |
18482 |
288.6 |
-6.2 |
0.560 |
17 |
0 |
0 |
0.214 |
16 |
|
[CAP]A:600 |
20 |
1 |
483 |
f |
A |
x,y,z |
1_555 |
54 |
24 |
18019 |
287.6 |
-5.2 |
0.646 |
19 |
0 |
0 |
0.214 |
17 |
|
[CAP]F:600 |
20 |
1 |
486 |
f |
F |
x,y,z |
1_555 |
53 |
23 |
18310 |
285.4 |
-5.3 |
0.631 |
18 |
0 |
0 |
0.214 |
18 |
|
[CAP]H:600 |
20 |
1 |
476 |
f |
H |
x,y,z |
1_555 |
50 |
24 |
18051 |
284.8 |
-5.9 |
0.590 |
17 |
0 |
0 |
0.214 |
19 |
|
[CAP]D:600 |
20 |
1 |
482 |
f |
D |
x,y,z |
1_555 |
51 |
24 |
18507 |
280.9 |
-5.3 |
0.612 |
17 |
0 |
0 |
0.214 |
20 |
|
[CAP]I:600 |
20 |
1 |
484 |
f |
I |
x,y,z |
1_555 |
52 |
24 |
18659 |
280.9 |
-5.7 |
0.601 |
18 |
0 |
0 |
0.214 |
Average: |
287.7 |
-5.5 |
0.615 |
18 |
0 |
0 |
0.214 |
4 |
21 |
|
E |
28 |
8 |
18403 |
◊ |
D |
x,y,z |
1_555 |
32 |
8 |
18507 |
230.8 |
-2.1 |
0.417 |
2 |
4 |
0 |
0.052 |
22 |
|
J |
26 |
8 |
18482 |
◊ |
I |
x,y,z |
1_555 |
30 |
8 |
18659 |
227.0 |
-1.7 |
0.439 |
3 |
3 |
0 |
0.052 |
23 |
|
J |
31 |
7 |
18482 |
◊ |
F |
x,y,z |
1_555 |
25 |
7 |
18310 |
227.0 |
-1.7 |
0.425 |
2 |
5 |
0 |
0.052 |
24 |
|
H |
28 |
8 |
18051 |
◊ |
G |
x,y,z |
1_555 |
32 |
9 |
18530 |
223.7 |
-1.3 |
0.498 |
2 |
3 |
0 |
0.052 |
25 |
|
G |
27 |
7 |
18530 |
◊ |
F |
x,y,z |
1_555 |
29 |
7 |
18310 |
218.0 |
-2.5 |
0.330 |
3 |
3 |
0 |
0.052 |
26 |
|
B |
26 |
7 |
18351 |
◊ |
A |
x,y,z |
1_555 |
33 |
8 |
18019 |
216.5 |
-2.2 |
0.392 |
3 |
3 |
0 |
0.052 |
27 |
|
E |
31 |
7 |
18403 |
◊ |
A |
x,y,z |
1_555 |
25 |
7 |
18019 |
216.2 |
-1.9 |
0.403 |
3 |
3 |
0 |
0.052 |
28 |
|
I |
26 |
8 |
18659 |
◊ |
H |
x,y,z |
1_555 |
32 |
9 |
18051 |
215.9 |
-2.2 |
0.392 |
3 |
3 |
0 |
0.052 |
29 |
|
C |
26 |
7 |
18233 |
◊ |
B |
x,y,z |
1_555 |
31 |
7 |
18351 |
215.3 |
-2.2 |
0.357 |
2 |
4 |
0 |
0.052 |
30 |
|
D |
27 |
8 |
18507 |
◊ |
C |
x,y,z |
1_555 |
30 |
8 |
18233 |
214.1 |
-2.2 |
0.373 |
3 |
4 |
0 |
0.052 |
Average: |
220.4 |
-2.0 |
0.403 |
3 |
4 |
0 |
0.052 |
5 |
31 |
|
G |
23 |
9 |
18530 |
◊ |
I |
x-1,y,z-1 |
1_454 |
23 |
9 |
18659 |
179.7 |
-0.1 |
0.650 |
1 |
0 |
0 |
0.000 |
32 |
|
B |
19 |
8 |
18351 |
◊ |
D |
x-1,y,z-1 |
1_454 |
24 |
10 |
18507 |
151.4 |
0.9 |
0.777 |
2 |
2 |
0 |
0.000 |
Average: |
165.5 |
0.4 |
0.713 |
2 |
1 |
0 |
0.000 |
6 |
33 |
|
E |
15 |
5 |
18403 |
◊ |
C |
-x+1,y-1/2,-z+1 |
2_646 |
20 |
5 |
18233 |
151.9 |
-0.7 |
0.569 |
2 |
0 |
0 |
0.000 |
34 |
|
H |
20 |
5 |
18051 |
◊ |
J |
-x+1,y-1/2,-z+1 |
2_646 |
15 |
5 |
18482 |
146.6 |
-0.6 |
0.583 |
2 |
0 |
0 |
0.000 |
Average: |
149.2 |
-0.7 |
0.576 |
2 |
0 |
0 |
0.000 |
7 |
35 |
|
A |
17 |
8 |
18019 |
◊ |
F |
-x,y-1/2,-z |
2_545 |
18 |
6 |
18310 |
125.4 |
-0.4 |
0.611 |
2 |
0 |
0 |
0.000 |
8 |
36 |
|
[CAP]I:600 |
13 |
1 |
484 |
◊ |
E |
x,y,z |
1_555 |
11 |
4 |
18403 |
99.1 |
-1.0 |
0.810 |
3 |
0 |
0 |
0.038 |
37 |
|
[CAP]D:600 |
13 |
1 |
482 |
◊ |
J |
x,y,z |
1_555 |
12 |
4 |
18482 |
98.7 |
-0.9 |
0.812 |
3 |
0 |
0 |
0.038 |
38 |
|
[CAP]C:600 |
12 |
1 |
484 |
◊ |
F |
x,y,z |
1_555 |
10 |
4 |
18310 |
98.3 |
-0.9 |
0.801 |
2 |
0 |
0 |
0.038 |
39 |
|
[CAP]H:600 |
12 |
1 |
476 |
◊ |
A |
x,y,z |
1_555 |
12 |
4 |
18019 |
98.0 |
-1.3 |
0.759 |
2 |
0 |
0 |
0.038 |
40 |
|
[CAP]F:600 |
13 |
1 |
486 |
◊ |
C |
x,y,z |
1_555 |
12 |
4 |
18233 |
97.6 |
-1.1 |
0.812 |
3 |
0 |
0 |
0.038 |
41 |
|
[CAP]G:600 |
12 |
1 |
485 |
◊ |
B |
x,y,z |
1_555 |
12 |
4 |
18351 |
94.7 |
-0.9 |
0.791 |
2 |
0 |
0 |
0.038 |
42 |
|
[CAP]A:600 |
12 |
1 |
483 |
◊ |
H |
x,y,z |
1_555 |
10 |
4 |
18051 |
94.6 |
-1.1 |
0.789 |
3 |
0 |
0 |
0.038 |
43 |
|
[CAP]B:600 |
12 |
1 |
484 |
◊ |
G |
x,y,z |
1_555 |
11 |
4 |
18530 |
93.2 |
-0.8 |
0.792 |
2 |
0 |
0 |
0.038 |
44 |
|
[CAP]J:600 |
12 |
1 |
483 |
◊ |
D |
x,y,z |
1_555 |
11 |
4 |
18507 |
92.0 |
-1.1 |
0.747 |
2 |
0 |
0 |
0.038 |
45 |
|
[CAP]E:600 |
12 |
1 |
481 |
◊ |
I |
x,y,z |
1_555 |
7 |
3 |
18659 |
84.7 |
-1.6 |
0.719 |
2 |
0 |
0 |
0.038 |
Average: |
95.1 |
-1.1 |
0.783 |
2 |
0 |
0 |
0.038 |
9 |
46 |
|
F |
12 |
4 |
18310 |
◊ |
D |
x-1,y,z |
1_455 |
9 |
3 |
18507 |
98.5 |
-0.7 |
0.407 |
0 |
0 |
0 |
0.000 |
47 |
|
G |
10 |
3 |
18530 |
◊ |
C |
x-1,y,z |
1_455 |
12 |
4 |
18233 |
95.7 |
-0.1 |
0.624 |
1 |
0 |
0 |
0.000 |
Average: |
97.1 |
-0.4 |
0.516 |
1 |
0 |
0 |
0.000 |
10 |
48 |
|
E |
10 |
4 |
18403 |
◊ |
J |
-x+1,y-1/2,-z+1 |
2_646 |
10 |
4 |
18482 |
88.1 |
-0.7 |
0.491 |
0 |
0 |
0 |
0.000 |
11 |
49 |
|
B |
4 |
2 |
18351 |
◊ |
I |
x,y,z-1 |
1_554 |
8 |
4 |
18659 |
38.3 |
-0.1 |
0.573 |
0 |
0 |
0 |
0.000 |
12 |
50 |
|
[MG]H:500 |
1 |
1 |
98 |
f |
H |
x,y,z |
1_555 |
8 |
7 |
18051 |
32.1 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.079 |
51 |
|
[MG]E:500 |
1 |
1 |
98 |
f |
E |
x,y,z |
1_555 |
10 |
6 |
18403 |
31.5 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.079 |
52 |
|
[MG]J:500 |
1 |
1 |
98 |
f |
J |
x,y,z |
1_555 |
13 |
7 |
18482 |
31.3 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.079 |
53 |
|
[MG]C:500 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
8 |
6 |
18233 |
31.2 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.079 |
54 |
|
[MG]B:500 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
11 |
7 |
18351 |
30.9 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.079 |
55 |
|
[MG]A:500 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
10 |
6 |
18019 |
30.7 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.079 |
56 |
|
[MG]G:500 |
1 |
1 |
98 |
f |
G |
x,y,z |
1_555 |
10 |
7 |
18530 |
30.6 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.079 |
57 |
|
[MG]F:500 |
1 |
1 |
98 |
f |
F |
x,y,z |
1_555 |
9 |
7 |
18310 |
30.6 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.079 |
58 |
|
[MG]D:500 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
7 |
6 |
18507 |
30.5 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.079 |
59 |
|
[MG]I:500 |
1 |
1 |
98 |
f |
I |
x,y,z |
1_555 |
10 |
7 |
18659 |
30.3 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.079 |
Average: |
31.0 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.079 |
13 |
60 |
|
[MG]H:500 |
1 |
1 |
98 |
f |
[CAP]H:600 |
x,y,z |
1_555 |
3 |
1 |
476 |
29.8 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.058 |
61 |
|
[MG]E:500 |
1 |
1 |
98 |
f |
[CAP]E:600 |
x,y,z |
1_555 |
3 |
1 |
481 |
29.7 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.058 |
62 |
|
[MG]G:500 |
1 |
1 |
98 |
f |
[CAP]G:600 |
x,y,z |
1_555 |
3 |
1 |
485 |
29.3 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.058 |
63 |
|
[MG]B:500 |
1 |
1 |
98 |
f |
[CAP]B:600 |
x,y,z |
1_555 |
3 |
1 |
484 |
29.2 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.058 |
64 |
|
[MG]J:500 |
1 |
1 |
98 |
f |
[CAP]J:600 |
x,y,z |
1_555 |
3 |
1 |
483 |
29.0 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.058 |
65 |
|
[MG]F:500 |
1 |
1 |
98 |
f |
[CAP]F:600 |
x,y,z |
1_555 |
3 |
1 |
486 |
29.0 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.058 |
66 |
|
[MG]C:500 |
1 |
1 |
98 |
f |
[CAP]C:600 |
x,y,z |
1_555 |
3 |
1 |
484 |
28.9 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.058 |
67 |
|
[MG]A:500 |
1 |
1 |
98 |
f |
[CAP]A:600 |
x,y,z |
1_555 |
3 |
1 |
483 |
28.9 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.058 |
68 |
|
[MG]D:500 |
1 |
1 |
98 |
f |
[CAP]D:600 |
x,y,z |
1_555 |
3 |
1 |
482 |
28.7 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.058 |
69 |
|
[MG]I:500 |
1 |
1 |
98 |
f |
[CAP]I:600 |
x,y,z |
1_555 |
3 |
1 |
484 |
28.7 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.058 |
Average: |
29.1 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.058 |
14 |
70 |
|
[MG]J:500 |
1 |
1 |
98 |
◊ |
D |
x,y,z |
1_555 |
2 |
2 |
18507 |
13.2 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.016 |
71 |
|
[MG]I:500 |
1 |
1 |
98 |
◊ |
E |
x,y,z |
1_555 |
1 |
1 |
18403 |
13.1 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.016 |
72 |
|
[MG]A:500 |
1 |
1 |
98 |
◊ |
H |
x,y,z |
1_555 |
1 |
1 |
18051 |
13.0 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.016 |
73 |
|
[MG]E:500 |
1 |
1 |
98 |
◊ |
I |
x,y,z |
1_555 |
1 |
1 |
18659 |
12.9 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.016 |
74 |
|
[MG]D:500 |
1 |
1 |
98 |
◊ |
J |
x,y,z |
1_555 |
1 |
1 |
18482 |
12.7 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.016 |
75 |
|
[MG]F:500 |
1 |
1 |
98 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
18233 |
12.5 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.016 |
76 |
|
[MG]G:500 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
18351 |
12.3 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.016 |
77 |
|
[MG]B:500 |
1 |
1 |
98 |
◊ |
G |
x,y,z |
1_555 |
1 |
1 |
18530 |
11.7 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.016 |
78 |
|
[MG]C:500 |
1 |
1 |
98 |
◊ |
F |
x,y,z |
1_555 |
1 |
1 |
18310 |
11.2 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.016 |
79 |
|
[MG]H:500 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
18019 |
9.5 |
-0.7 |
0.000 |
0 |
0 |
0 |
0.016 |
Average: |
12.2 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.016 |
|