| ## |
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 |
|
C |
177 |
44 |
19239 |
◊ |
B |
x,y,z |
1_555 |
183 |
44 |
19275 |
1674.2 |
-30.2 |
0.005 |
11 |
0 |
0 |
0.144 |
2 |
|
D |
182 |
45 |
19553 |
◊ |
A |
x,y,z |
1_555 |
182 |
45 |
19557 |
1659.0 |
-29.5 |
0.003 |
11 |
0 |
0 |
0.144 |
| Average: |
1666.6 |
-29.8 |
0.004 |
11 |
0 |
0 |
0.144 |
| 2 |
3 |
|
B |
130 |
35 |
19275 |
◊ |
A |
x,y,z |
1_555 |
129 |
34 |
19557 |
1266.8 |
-21.2 |
0.014 |
5 |
0 |
0 |
0.093 |
4 |
|
D |
129 |
34 |
19553 |
◊ |
C |
x,y,z |
1_555 |
129 |
33 |
19239 |
1251.2 |
-22.1 |
0.014 |
8 |
0 |
0 |
0.093 |
| Average: |
1259.0 |
-21.6 |
0.014 |
7 |
0 |
0 |
0.093 |
| 3 |
5 |
|
C |
108 |
27 |
19239 |
◊ |
A |
x,y,z |
1_555 |
105 |
24 |
19557 |
919.6 |
1.0 |
0.889 |
10 |
6 |
0 |
0.011 |
6 |
|
D |
99 |
24 |
19553 |
◊ |
B |
x,y,z |
1_555 |
103 |
26 |
19275 |
884.4 |
2.3 |
0.924 |
10 |
4 |
0 |
0.011 |
| Average: |
902.0 |
1.7 |
0.906 |
10 |
5 |
0 |
0.011 |
| 4 |
7 |
|
[FDA]B:501 |
52 |
1 |
980 |
f |
B |
x,y,z |
1_555 |
110 |
37 |
19275 |
708.2 |
-8.1 |
0.481 |
10 |
0 |
0 |
0.101 |
8 |
|
[FDA]D:501 |
51 |
1 |
987 |
f |
D |
x,y,z |
1_555 |
113 |
39 |
19553 |
705.6 |
-9.3 |
0.491 |
8 |
0 |
0 |
0.101 |
9 |
|
[FDA]A:501 |
52 |
1 |
986 |
f |
A |
x,y,z |
1_555 |
111 |
39 |
19557 |
705.2 |
-9.5 |
0.445 |
7 |
0 |
0 |
0.101 |
10 |
|
[FDA]C:501 |
52 |
1 |
986 |
f |
C |
x,y,z |
1_555 |
110 |
39 |
19239 |
703.7 |
-8.4 |
0.509 |
8 |
0 |
0 |
0.101 |
| Average: |
705.7 |
-8.8 |
0.482 |
8 |
0 |
0 |
0.101 |
| 5 |
11 |
|
[NAP]C:502 |
46 |
1 |
911 |
f |
C |
x,y,z |
1_555 |
83 |
35 |
19239 |
607.8 |
-3.7 |
0.556 |
10 |
0 |
0 |
0.062 |
12 |
|
[NAP]B:502 |
45 |
1 |
910 |
f |
B |
x,y,z |
1_555 |
87 |
34 |
19275 |
606.3 |
-2.3 |
0.620 |
10 |
0 |
0 |
0.062 |
13 |
|
[NAP]A:502 |
46 |
1 |
913 |
f |
A |
x,y,z |
1_555 |
86 |
35 |
19557 |
605.4 |
-3.1 |
0.552 |
10 |
0 |
0 |
0.062 |
14 |
|
[NAP]D:502 |
43 |
1 |
908 |
f |
D |
x,y,z |
1_555 |
85 |
35 |
19553 |
598.4 |
-3.4 |
0.552 |
10 |
0 |
0 |
0.062 |
| Average: |
604.5 |
-3.1 |
0.570 |
10 |
0 |
0 |
0.062 |
| 6 |
15 |
|
B |
28 |
7 |
19275 |
◊ |
A |
-x+1/2,-y,z-1/2 |
2_554 |
36 |
11 |
19557 |
283.8 |
-2.4 |
0.420 |
2 |
0 |
0 |
0.000 |
16 |
|
C |
34 |
9 |
19239 |
◊ |
D |
-x+1/2,-y,z-1/2 |
2_554 |
27 |
6 |
19553 |
271.7 |
-1.9 |
0.420 |
3 |
0 |
0 |
0.000 |
| Average: |
277.7 |
-2.1 |
0.420 |
3 |
0 |
0 |
0.000 |
| 7 |
17 |
|
A |
29 |
12 |
19557 |
◊ |
C |
-x,y-1/2,-z-1/2 |
4_544 |
24 |
7 |
19239 |
249.2 |
-1.6 |
0.499 |
1 |
3 |
0 |
0.000 |
| 8 |
18 |
|
D |
12 |
6 |
19553 |
◊ |
C |
-x+1,y-1/2,-z-1/2 |
4_644 |
22 |
8 |
19239 |
132.7 |
-2.6 |
0.221 |
0 |
0 |
0 |
0.000 |
| 9 |
19 |
|
[NAP]D:502 |
15 |
1 |
908 |
f |
[FDA]D:501 |
x,y,z |
1_555 |
16 |
1 |
987 |
104.3 |
0.1 |
0.615 |
1 |
0 |
0 |
0.004 |
20 |
|
[NAP]B:502 |
15 |
1 |
910 |
f |
[FDA]B:501 |
x,y,z |
1_555 |
17 |
1 |
980 |
103.9 |
-0.1 |
0.583 |
1 |
0 |
0 |
0.004 |
21 |
|
[NAP]A:502 |
15 |
1 |
913 |
f |
[FDA]A:501 |
x,y,z |
1_555 |
17 |
1 |
986 |
103.4 |
-0.0 |
0.607 |
1 |
0 |
0 |
0.004 |
22 |
|
[NAP]C:502 |
15 |
1 |
911 |
f |
[FDA]C:501 |
x,y,z |
1_555 |
17 |
1 |
986 |
102.1 |
0.0 |
0.595 |
1 |
0 |
0 |
0.004 |
| Average: |
103.4 |
0.0 |
0.600 |
1 |
0 |
0 |
0.004 |
| 10 |
23 |
|
A |
13 |
4 |
19557 |
◊ |
B |
x-1,y,z |
1_455 |
11 |
5 |
19275 |
104.2 |
-0.8 |
0.367 |
0 |
0 |
0 |
0.000 |
| 11 |
24 |
|
[BR]D:512 |
1 |
1 |
133 |
f |
D |
x,y,z |
1_555 |
15 |
6 |
19553 |
82.9 |
-12.7 |
0.000 |
0 |
0 |
0 |
0.083 |
25 |
|
[BR]A:510 |
1 |
1 |
133 |
f |
A |
x,y,z |
1_555 |
15 |
7 |
19557 |
82.8 |
-12.7 |
0.000 |
0 |
0 |
0 |
0.083 |
| Average: |
82.8 |
-12.7 |
0.000 |
0 |
0 |
0 |
0.083 |
| 12 |
26 |
|
[BR]A:505 |
1 |
1 |
133 |
f |
A |
x,y,z |
1_555 |
18 |
9 |
19557 |
82.7 |
-13.0 |
0.000 |
0 |
0 |
0 |
0.107 |
27 |
|
[BR]D:507 |
1 |
1 |
133 |
f |
D |
x,y,z |
1_555 |
18 |
8 |
19553 |
82.4 |
-13.0 |
0.000 |
0 |
0 |
0 |
0.107 |
28 |
|
[BR]C:503 |
1 |
1 |
133 |
f |
C |
x,y,z |
1_555 |
19 |
8 |
19239 |
82.4 |
-13.0 |
0.000 |
0 |
0 |
0 |
0.107 |
29 |
|
[BR]B:505 |
1 |
1 |
133 |
f |
B |
x,y,z |
1_555 |
18 |
8 |
19275 |
81.4 |
-12.9 |
0.000 |
0 |
0 |
0 |
0.107 |
| Average: |
82.2 |
-13.0 |
0.000 |
0 |
0 |
0 |
0.107 |
| 13 |
30 |
|
B |
16 |
6 |
19275 |
◊ |
C |
-x+1,y-1/2,-z-1/2 |
4_644 |
13 |
6 |
19239 |
79.8 |
-0.0 |
0.663 |
0 |
0 |
0 |
0.000 |
| 14 |
31 |
|
[BR]A:509 |
1 |
1 |
133 |
f |
A |
x,y,z |
1_555 |
12 |
7 |
19557 |
79.3 |
-12.6 |
0.000 |
0 |
0 |
0 |
0.101 |
32 |
|
[BR]B:507 |
1 |
1 |
133 |
f |
B |
x,y,z |
1_555 |
9 |
6 |
19275 |
78.6 |
-12.5 |
0.000 |
0 |
0 |
0 |
0.101 |
33 |
|
[BR]D:509 |
1 |
1 |
133 |
f |
D |
x,y,z |
1_555 |
11 |
6 |
19553 |
78.5 |
-12.6 |
0.000 |
0 |
0 |
0 |
0.101 |
34 |
|
[BR]C:507 |
1 |
1 |
133 |
f |
C |
x,y,z |
1_555 |
12 |
6 |
19239 |
77.9 |
-12.0 |
0.000 |
0 |
0 |
0 |
0.101 |
| Average: |
78.6 |
-12.4 |
0.000 |
0 |
0 |
0 |
0.101 |
| 15 |
35 |
|
[BR]B:503 |
1 |
1 |
133 |
f |
B |
x,y,z |
1_555 |
13 |
4 |
19275 |
75.9 |
-11.2 |
0.000 |
0 |
0 |
0 |
0.092 |
36 |
|
[BR]A:507 |
1 |
1 |
133 |
f |
A |
x,y,z |
1_555 |
13 |
4 |
19557 |
75.6 |
-11.1 |
0.000 |
0 |
0 |
0 |
0.092 |
37 |
|
[BR]D:505 |
1 |
1 |
133 |
f |
D |
x,y,z |
1_555 |
13 |
5 |
19553 |
75.5 |
-11.1 |
0.000 |
0 |
0 |
0 |
0.092 |
38 |
|
[BR]C:506 |
1 |
1 |
133 |
f |
C |
x,y,z |
1_555 |
12 |
4 |
19239 |
75.1 |
-11.1 |
0.000 |
0 |
0 |
0 |
0.092 |
| Average: |
75.5 |
-11.1 |
0.000 |
0 |
0 |
0 |
0.092 |
| 16 |
39 |
|
[BR]A:504 |
1 |
1 |
133 |
f |
A |
x,y,z |
1_555 |
9 |
7 |
19557 |
72.6 |
-13.2 |
0.000 |
0 |
0 |
0 |
0.109 |
40 |
|
[BR]B:509 |
1 |
1 |
133 |
f |
B |
x,y,z |
1_555 |
6 |
5 |
19275 |
69.2 |
-13.2 |
0.000 |
0 |
0 |
0 |
0.109 |
41 |
|
[BR]D:513 |
1 |
1 |
133 |
f |
D |
x,y,z |
1_555 |
6 |
6 |
19553 |
68.5 |
-13.2 |
0.000 |
0 |
0 |
0 |
0.109 |
42 |
|
[BR]C:508 |
1 |
1 |
133 |
f |
C |
x,y,z |
1_555 |
6 |
6 |
19239 |
68.3 |
-13.2 |
0.000 |
0 |
0 |
0 |
0.109 |
| Average: |
69.7 |
-13.2 |
0.000 |
0 |
0 |
0 |
0.109 |
| 17 |
43 |
|
[BR]B:504 |
1 |
1 |
133 |
f |
B |
x,y,z |
1_555 |
13 |
6 |
19275 |
72.5 |
-9.7 |
0.000 |
0 |
0 |
0 |
0.080 |
44 |
|
[BR]A:506 |
1 |
1 |
133 |
f |
A |
x,y,z |
1_555 |
12 |
7 |
19557 |
71.6 |
-9.6 |
0.000 |
0 |
0 |
0 |
0.080 |
45 |
|
[BR]D:506 |
1 |
1 |
133 |
f |
D |
x,y,z |
1_555 |
11 |
7 |
19553 |
71.5 |
-9.9 |
0.000 |
0 |
0 |
0 |
0.080 |
46 |
|
[BR]C:504 |
1 |
1 |
133 |
f |
C |
x,y,z |
1_555 |
11 |
7 |
19239 |
69.6 |
-9.7 |
0.000 |
0 |
0 |
0 |
0.080 |
| Average: |
71.3 |
-9.7 |
0.000 |
0 |
0 |
0 |
0.080 |
| 18 |
47 |
|
[BR]A:503 |
1 |
1 |
133 |
f |
A |
x,y,z |
1_555 |
16 |
5 |
19557 |
69.3 |
-10.0 |
0.000 |
0 |
0 |
0 |
0.082 |
48 |
|
[BR]B:506 |
1 |
1 |
133 |
f |
B |
x,y,z |
1_555 |
15 |
5 |
19275 |
68.2 |
-9.9 |
0.000 |
0 |
0 |
0 |
0.082 |
49 |
|
[BR]C:505 |
1 |
1 |
133 |
f |
C |
x,y,z |
1_555 |
14 |
5 |
19239 |
67.9 |
-10.0 |
0.000 |
0 |
0 |
0 |
0.082 |
50 |
|
[BR]D:508 |
1 |
1 |
133 |
f |
D |
x,y,z |
1_555 |
14 |
5 |
19553 |
67.7 |
-9.8 |
0.000 |
0 |
0 |
0 |
0.082 |
| Average: |
68.3 |
-9.9 |
0.000 |
0 |
0 |
0 |
0.082 |
| 19 |
51 |
|
[BR]A:511 |
1 |
1 |
133 |
f |
A |
x,y,z |
1_555 |
11 |
5 |
19557 |
67.4 |
-9.2 |
0.000 |
0 |
0 |
0 |
0.037 |
| 20 |
52 |
|
[BR]C:509 |
1 |
1 |
133 |
f |
C |
x,y,z |
1_555 |
8 |
3 |
19239 |
65.5 |
-9.5 |
0.000 |
0 |
0 |
0 |
0.039 |
| 21 |
53 |
|
[BR]D:503 |
1 |
1 |
133 |
f |
D |
x,y,z |
1_555 |
8 |
5 |
19553 |
65.5 |
-8.8 |
0.000 |
0 |
0 |
0 |
0.059 |
54 |
|
[BR]D:504 |
1 |
1 |
133 |
f |
A |
x,y,z |
1_555 |
9 |
4 |
19557 |
59.1 |
-7.7 |
0.000 |
0 |
0 |
0 |
0.059 |
55 |
|
[BR]B:508 |
1 |
1 |
133 |
f |
C |
x,y,z |
1_555 |
9 |
4 |
19239 |
58.9 |
-7.6 |
0.000 |
0 |
0 |
0 |
0.059 |
| Average: |
61.1 |
-8.0 |
0.000 |
0 |
0 |
0 |
0.059 |
| 22 |
56 |
|
[BR]D:510 |
1 |
1 |
133 |
f |
D |
x,y,z |
1_555 |
9 |
4 |
19553 |
62.1 |
-8.7 |
0.000 |
0 |
0 |
0 |
0.031 |
| 23 |
57 |
|
[BR]A:508 |
1 |
1 |
133 |
f |
A |
x,y,z |
1_555 |
9 |
5 |
19557 |
54.5 |
-7.0 |
0.000 |
0 |
0 |
0 |
0.044 |
58 |
|
[BR]D:511 |
1 |
1 |
133 |
f |
D |
x,y,z |
1_555 |
10 |
6 |
19553 |
51.0 |
-6.6 |
0.000 |
0 |
0 |
0 |
0.044 |
| Average: |
52.7 |
-6.8 |
0.000 |
0 |
0 |
0 |
0.044 |
| 24 |
59 |
|
C |
6 |
4 |
19239 |
◊ |
B |
x-1,y,z |
1_455 |
8 |
3 |
19275 |
53.6 |
0.5 |
0.672 |
0 |
0 |
0 |
0.000 |
| 25 |
60 |
|
[BR]D:514 |
1 |
1 |
133 |
f |
C |
-x+1,y-1/2,-z-1/2 |
4_644 |
7 |
4 |
19239 |
52.3 |
-7.1 |
0.000 |
0 |
0 |
0 |
0.029 |
| 26 |
61 |
|
[BR]D:514 |
1 |
1 |
133 |
◊ |
D |
x,y,z |
1_555 |
9 |
3 |
19553 |
46.8 |
-5.7 |
0.000 |
0 |
0 |
0 |
0.000 |
| 27 |
62 |
|
[BR]D:503 |
1 |
1 |
133 |
◊ |
A |
x,y,z |
1_555 |
11 |
4 |
19557 |
44.0 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.033 |
63 |
|
[BR]B:508 |
1 |
1 |
133 |
◊ |
B |
x,y,z |
1_555 |
8 |
2 |
19275 |
40.4 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.033 |
64 |
|
[BR]D:504 |
1 |
1 |
133 |
◊ |
D |
x,y,z |
1_555 |
8 |
2 |
19553 |
39.7 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.033 |
| Average: |
41.4 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.033 |
| 28 |
65 |
|
[BR]D:511 |
1 |
1 |
133 |
f |
[NAP]D:502 |
x,y,z |
1_555 |
2 |
1 |
908 |
38.9 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.025 |
66 |
|
[BR]A:508 |
1 |
1 |
133 |
f |
[NAP]A:502 |
x,y,z |
1_555 |
3 |
1 |
913 |
37.3 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.025 |
| Average: |
38.1 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.025 |
| 29 |
67 |
|
B |
4 |
2 |
19275 |
◊ |
[BR]A:511 |
-x+1/2,-y,z-1/2 |
2_554 |
1 |
1 |
133 |
38.6 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.000 |
| 30 |
68 |
|
[BR]C:504 |
1 |
1 |
133 |
◊ |
D |
x,y,z |
1_555 |
7 |
3 |
19553 |
36.8 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.028 |
69 |
|
[BR]A:506 |
1 |
1 |
133 |
◊ |
B |
x,y,z |
1_555 |
6 |
3 |
19275 |
36.7 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.028 |
70 |
|
[BR]D:506 |
1 |
1 |
133 |
◊ |
C |
x,y,z |
1_555 |
7 |
3 |
19239 |
35.7 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.028 |
71 |
|
[BR]B:504 |
1 |
1 |
133 |
◊ |
A |
x,y,z |
1_555 |
7 |
3 |
19557 |
34.5 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.028 |
| Average: |
35.9 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.028 |
| 31 |
72 |
|
[NAP]A:502 |
3 |
1 |
913 |
◊ |
D |
x,y,z |
1_555 |
4 |
2 |
19553 |
35.0 |
0.5 |
0.711 |
1 |
0 |
0 |
0.000 |
73 |
|
[NAP]D:502 |
3 |
1 |
908 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
19557 |
33.4 |
0.5 |
0.702 |
1 |
0 |
0 |
0.000 |
74 |
|
[NAP]B:502 |
3 |
1 |
910 |
◊ |
C |
x,y,z |
1_555 |
3 |
1 |
19239 |
32.2 |
0.5 |
0.682 |
1 |
0 |
0 |
0.000 |
75 |
|
[NAP]C:502 |
3 |
1 |
911 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
19275 |
32.2 |
0.5 |
0.684 |
1 |
0 |
0 |
0.000 |
| Average: |
33.2 |
0.5 |
0.695 |
1 |
0 |
0 |
0.000 |
| 32 |
76 |
|
D |
2 |
2 |
19553 |
◊ |
B |
-x+1,y-1/2,-z-1/2 |
4_644 |
4 |
1 |
19275 |
32.7 |
0.3 |
0.644 |
0 |
0 |
0 |
0.000 |
| 33 |
77 |
|
A |
5 |
4 |
19557 |
◊ |
B |
-x+1,y-1/2,-z-1/2 |
4_644 |
6 |
3 |
19275 |
23.7 |
-0.6 |
0.424 |
0 |
0 |
0 |
0.000 |
| 34 |
78 |
|
[BR]B:503 |
1 |
1 |
133 |
◊ |
A |
x,y,z |
1_555 |
5 |
1 |
19557 |
9.5 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.005 |
79 |
|
[BR]D:505 |
1 |
1 |
133 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
19239 |
3.6 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.005 |
80 |
|
[BR]C:506 |
1 |
1 |
133 |
◊ |
D |
x,y,z |
1_555 |
1 |
1 |
19553 |
2.9 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.005 |
81 |
|
[BR]A:507 |
1 |
1 |
133 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
19275 |
2.7 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.005 |
| Average: |
4.7 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.005 |
| 35 |
82 |
|
A |
3 |
2 |
19557 |
◊ |
C |
-x+1,y-1/2,-z-1/2 |
4_644 |
1 |
1 |
19239 |
8.1 |
-0.2 |
0.375 |
0 |
0 |
0 |
0.000 |
| 36 |
83 |
|
[BR]C:509 |
1 |
1 |
133 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
19557 |
5.8 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.000 |
|