| ## |
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 |
427 |
118 |
18985 |
◊ |
C |
x,y,z |
1_555 |
425 |
118 |
18834 |
4045.0 |
-39.3 |
0.032 |
36 |
19 |
0 |
0.598 |
2 |
|
F |
433 |
119 |
18966 |
◊ |
E |
x,y,z |
1_555 |
426 |
117 |
18951 |
4013.3 |
-38.9 |
0.038 |
36 |
20 |
0 |
0.598 |
3 |
|
B |
418 |
117 |
18958 |
◊ |
A |
x,y,z |
1_555 |
421 |
117 |
18965 |
3995.1 |
-38.3 |
0.037 |
36 |
20 |
0 |
0.598 |
| Average: |
4017.8 |
-38.8 |
0.036 |
36 |
20 |
0 |
0.598 |
| 2 |
4 |
|
E |
116 |
35 |
18951 |
◊ |
D |
x,y,z |
1_555 |
116 |
36 |
18985 |
1070.2 |
-2.3 |
0.656 |
8 |
4 |
0 |
0.000 |
5 |
|
F |
114 |
36 |
18966 |
◊ |
A |
x,y,z |
1_555 |
113 |
34 |
18965 |
1063.6 |
-2.2 |
0.660 |
8 |
4 |
0 |
0.000 |
6 |
|
C |
113 |
35 |
18834 |
◊ |
B |
x,y,z |
1_555 |
113 |
34 |
18958 |
1057.1 |
-3.3 |
0.589 |
8 |
4 |
0 |
0.000 |
| Average: |
1063.6 |
-2.6 |
0.635 |
8 |
4 |
0 |
0.000 |
| 3 |
7 |
|
D |
35 |
13 |
18985 |
◊ |
B |
x,y,z-1 |
1_554 |
36 |
12 |
18958 |
296.4 |
-0.5 |
0.621 |
0 |
5 |
0 |
0.000 |
8 |
|
A |
32 |
12 |
18965 |
◊ |
C |
x,y-1,z |
1_545 |
32 |
11 |
18834 |
291.7 |
0.3 |
0.705 |
0 |
6 |
0 |
0.000 |
| Average: |
294.0 |
-0.1 |
0.663 |
0 |
6 |
0 |
0.000 |
| 4 |
9 |
|
[CAP]E:500 |
20 |
1 |
482 |
f |
E |
x,y,z |
1_555 |
52 |
24 |
18951 |
290.1 |
-5.1 |
0.625 |
13 |
0 |
0 |
0.216 |
10 |
|
[CAP]F:500 |
20 |
1 |
483 |
f |
F |
x,y,z |
1_555 |
51 |
25 |
18966 |
289.5 |
-5.3 |
0.604 |
12 |
0 |
0 |
0.216 |
11 |
|
[CAP]B:500 |
20 |
1 |
482 |
f |
B |
x,y,z |
1_555 |
49 |
23 |
18958 |
287.0 |
-4.9 |
0.624 |
12 |
0 |
0 |
0.216 |
12 |
|
[CAP]C:500 |
20 |
1 |
480 |
f |
C |
x,y,z |
1_555 |
50 |
23 |
18834 |
284.5 |
-5.1 |
0.621 |
12 |
0 |
0 |
0.216 |
13 |
|
[CAP]A:500 |
20 |
1 |
477 |
f |
A |
x,y,z |
1_555 |
47 |
23 |
18965 |
283.5 |
-5.1 |
0.579 |
11 |
0 |
0 |
0.216 |
14 |
|
[CAP]D:500 |
20 |
1 |
476 |
f |
D |
x,y,z |
1_555 |
50 |
23 |
18985 |
281.8 |
-4.6 |
0.620 |
10 |
0 |
0 |
0.216 |
| Average: |
286.1 |
-5.0 |
0.612 |
12 |
0 |
0 |
0.216 |
| 5 |
15 |
|
B |
17 |
6 |
18958 |
◊ |
C |
x-1,y,z |
1_455 |
15 |
4 |
18834 |
114.1 |
2.0 |
0.870 |
0 |
1 |
0 |
0.000 |
16 |
|
D |
15 |
4 |
18985 |
◊ |
E |
x-1,y,z |
1_455 |
16 |
6 |
18951 |
98.9 |
1.3 |
0.812 |
0 |
0 |
0 |
0.000 |
| Average: |
106.5 |
1.7 |
0.841 |
0 |
1 |
0 |
0.000 |
| 6 |
17 |
|
B |
16 |
6 |
18958 |
x |
B |
x-1,y,z |
1_455 |
11 |
3 |
18958 |
112.3 |
0.5 |
0.526 |
0 |
1 |
0 |
0.000 |
18 |
|
E |
11 |
3 |
18951 |
x |
E |
x-1,y,z |
1_455 |
15 |
5 |
18951 |
110.5 |
0.7 |
0.551 |
0 |
1 |
0 |
0.000 |
| Average: |
111.4 |
0.6 |
0.539 |
0 |
1 |
0 |
0.000 |
| 7 |
19 |
|
A |
7 |
3 |
18965 |
◊ |
D |
x-1,y-1,z |
1_445 |
12 |
3 |
18985 |
108.1 |
-0.5 |
0.500 |
0 |
0 |
0 |
0.000 |
| 8 |
20 |
|
E |
15 |
6 |
18951 |
◊ |
B |
x,y,z-1 |
1_554 |
17 |
6 |
18958 |
100.6 |
-1.7 |
0.296 |
0 |
0 |
0 |
0.000 |
21 |
|
F |
12 |
5 |
18966 |
◊ |
C |
x,y-1,z |
1_545 |
14 |
5 |
18834 |
88.0 |
-1.5 |
0.288 |
0 |
0 |
0 |
0.000 |
| Average: |
94.3 |
-1.6 |
0.292 |
0 |
0 |
0 |
0.000 |
| 9 |
22 |
|
[CAP]B:500 |
12 |
1 |
482 |
◊ |
A |
x,y,z |
1_555 |
15 |
5 |
18965 |
91.0 |
-0.6 |
0.783 |
1 |
0 |
0 |
0.017 |
23 |
|
[CAP]E:500 |
12 |
1 |
482 |
◊ |
F |
x,y,z |
1_555 |
14 |
5 |
18966 |
90.7 |
-0.3 |
0.800 |
1 |
0 |
0 |
0.017 |
24 |
|
[CAP]A:500 |
12 |
1 |
477 |
◊ |
B |
x,y,z |
1_555 |
14 |
5 |
18958 |
90.2 |
-0.1 |
0.818 |
1 |
0 |
0 |
0.017 |
25 |
|
[CAP]C:500 |
12 |
1 |
480 |
◊ |
D |
x,y,z |
1_555 |
14 |
5 |
18985 |
89.3 |
-0.5 |
0.801 |
0 |
0 |
0 |
0.017 |
26 |
|
[CAP]F:500 |
12 |
1 |
483 |
◊ |
E |
x,y,z |
1_555 |
14 |
5 |
18951 |
89.2 |
-0.2 |
0.810 |
1 |
0 |
0 |
0.017 |
27 |
|
[CAP]D:500 |
12 |
1 |
476 |
◊ |
C |
x,y,z |
1_555 |
14 |
5 |
18834 |
88.3 |
-0.2 |
0.807 |
1 |
0 |
0 |
0.017 |
| Average: |
89.8 |
-0.3 |
0.803 |
1 |
0 |
0 |
0.017 |
| 10 |
28 |
|
A |
12 |
4 |
18965 |
x |
A |
x-1,y,z |
1_455 |
15 |
5 |
18965 |
80.8 |
0.9 |
0.749 |
0 |
0 |
0 |
0.000 |
29 |
|
F |
12 |
6 |
18966 |
x |
F |
x-1,y,z |
1_455 |
10 |
4 |
18966 |
73.3 |
1.1 |
0.765 |
0 |
0 |
0 |
0.000 |
| Average: |
77.0 |
1.0 |
0.757 |
0 |
0 |
0 |
0.000 |
| 11 |
30 |
|
E |
8 |
3 |
18951 |
◊ |
C |
x,y,z |
1_555 |
6 |
3 |
18834 |
66.9 |
-0.0 |
0.621 |
1 |
2 |
0 |
0.000 |
31 |
|
F |
6 |
3 |
18966 |
◊ |
D |
x,y,z |
1_555 |
8 |
3 |
18985 |
65.7 |
0.1 |
0.650 |
1 |
2 |
0 |
0.000 |
32 |
|
D |
6 |
3 |
18985 |
◊ |
B |
x,y,z |
1_555 |
8 |
3 |
18958 |
65.3 |
0.0 |
0.628 |
1 |
2 |
0 |
0.000 |
33 |
|
C |
8 |
3 |
18834 |
◊ |
A |
x,y,z |
1_555 |
6 |
3 |
18965 |
65.1 |
0.0 |
0.635 |
1 |
2 |
0 |
0.000 |
34 |
|
F |
8 |
3 |
18966 |
◊ |
B |
x,y,z |
1_555 |
6 |
3 |
18958 |
64.5 |
0.0 |
0.632 |
1 |
2 |
0 |
0.000 |
35 |
|
E |
6 |
3 |
18951 |
◊ |
A |
x,y,z |
1_555 |
8 |
3 |
18965 |
62.3 |
0.1 |
0.657 |
1 |
2 |
0 |
0.000 |
| Average: |
65.0 |
0.0 |
0.637 |
1 |
2 |
0 |
0.000 |
| 12 |
36 |
|
E |
6 |
2 |
18951 |
◊ |
C |
x-1,y-1,z-1 |
1_444 |
9 |
5 |
18834 |
66.9 |
0.9 |
0.808 |
1 |
0 |
0 |
0.000 |
| 13 |
37 |
|
E |
8 |
5 |
18951 |
◊ |
A |
x,y,z-1 |
1_554 |
7 |
3 |
18965 |
65.8 |
3.2 |
0.963 |
0 |
1 |
0 |
0.000 |
38 |
|
F |
4 |
3 |
18966 |
◊ |
D |
x,y-1,z |
1_545 |
3 |
2 |
18985 |
35.7 |
1.8 |
0.947 |
0 |
1 |
0 |
0.000 |
| Average: |
50.7 |
2.5 |
0.955 |
0 |
1 |
0 |
0.000 |
| 14 |
39 |
|
F |
5 |
1 |
18966 |
◊ |
E |
x-1,y,z |
1_455 |
7 |
3 |
18951 |
62.3 |
0.4 |
0.739 |
0 |
1 |
0 |
0.000 |
40 |
|
B |
8 |
3 |
18958 |
◊ |
A |
x-1,y,z |
1_455 |
3 |
1 |
18965 |
50.7 |
0.5 |
0.763 |
0 |
0 |
0 |
0.000 |
| Average: |
56.5 |
0.5 |
0.751 |
0 |
1 |
0 |
0.000 |
| 15 |
41 |
|
A |
6 |
3 |
18965 |
◊ |
C |
x-1,y-1,z |
1_445 |
8 |
3 |
18834 |
58.0 |
0.5 |
0.751 |
0 |
0 |
0 |
0.000 |
| 16 |
42 |
|
F |
3 |
1 |
18966 |
◊ |
B |
x,y-1,z-1 |
1_544 |
3 |
2 |
18958 |
32.3 |
0.3 |
0.673 |
0 |
0 |
0 |
0.000 |
43 |
|
E |
3 |
1 |
18951 |
◊ |
C |
x,y-1,z-1 |
1_544 |
2 |
1 |
18834 |
17.4 |
0.1 |
0.589 |
0 |
0 |
0 |
0.000 |
| Average: |
24.9 |
0.2 |
0.631 |
0 |
0 |
0 |
0.000 |
| 17 |
44 |
|
[MG]E:501 |
1 |
1 |
98 |
f |
E |
x,y,z |
1_555 |
9 |
7 |
18951 |
31.2 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.100 |
45 |
|
[MG]F:501 |
1 |
1 |
98 |
f |
F |
x,y,z |
1_555 |
9 |
7 |
18966 |
31.1 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.100 |
46 |
|
[MG]A:501 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
8 |
7 |
18965 |
30.7 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.100 |
47 |
|
[MG]D:501 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
8 |
7 |
18985 |
30.6 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.100 |
48 |
|
[MG]B:501 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
9 |
7 |
18958 |
30.4 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.100 |
49 |
|
[MG]C:501 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
9 |
7 |
18834 |
30.3 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.100 |
| Average: |
30.7 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.100 |
| 18 |
50 |
|
[MG]E:501 |
1 |
1 |
98 |
f |
[CAP]E:500 |
x,y,z |
1_555 |
3 |
1 |
482 |
29.5 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.070 |
51 |
|
[MG]C:501 |
1 |
1 |
98 |
f |
[CAP]C:500 |
x,y,z |
1_555 |
3 |
1 |
480 |
29.1 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.070 |
52 |
|
[MG]F:501 |
1 |
1 |
98 |
f |
[CAP]F:500 |
x,y,z |
1_555 |
3 |
1 |
483 |
29.0 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.070 |
53 |
|
[MG]A:501 |
1 |
1 |
98 |
f |
[CAP]A:500 |
x,y,z |
1_555 |
3 |
1 |
477 |
28.8 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.070 |
54 |
|
[MG]D:501 |
1 |
1 |
98 |
f |
[CAP]D:500 |
x,y,z |
1_555 |
3 |
1 |
476 |
28.7 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.070 |
55 |
|
[MG]B:501 |
1 |
1 |
98 |
f |
[CAP]B:500 |
x,y,z |
1_555 |
3 |
1 |
482 |
28.7 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.070 |
| Average: |
29.0 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.070 |
| 19 |
56 |
|
[MG]D:501 |
1 |
1 |
98 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
18834 |
13.7 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.020 |
57 |
|
[MG]C:501 |
1 |
1 |
98 |
◊ |
D |
x,y,z |
1_555 |
1 |
1 |
18985 |
13.5 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.020 |
58 |
|
[MG]B:501 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
18965 |
13.5 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.020 |
59 |
|
[MG]A:501 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
18958 |
13.3 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.020 |
60 |
|
[MG]E:501 |
1 |
1 |
98 |
◊ |
F |
x,y,z |
1_555 |
1 |
1 |
18966 |
12.7 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.020 |
61 |
|
[MG]F:501 |
1 |
1 |
98 |
◊ |
E |
x,y,z |
1_555 |
1 |
1 |
18951 |
12.4 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.020 |
| Average: |
13.2 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.020 |
|