## |
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 |
|
E |
103 |
28 |
11655 |
◊ |
D |
x-y-1/3,-y-2/3,-z-5/3 |
11_443 |
109 |
28 |
12033 |
1033.9 |
-13.1 |
0.114 |
8 |
0 |
0 |
1.000 |
2 |
2 |
|
S |
90 |
15 |
1761 |
◊ |
B |
x,y,z |
1_555 |
94 |
29 |
11759 |
847.9 |
-12.4 |
0.235 |
10 |
0 |
0 |
1.000 |
3 |
|
R |
87 |
15 |
1741 |
◊ |
A |
x,y,z |
1_555 |
93 |
30 |
11809 |
845.2 |
-12.4 |
0.226 |
12 |
0 |
0 |
1.000 |
4 |
|
T |
80 |
14 |
1760 |
◊ |
D |
x,y,z |
1_555 |
80 |
28 |
12033 |
741.0 |
-10.2 |
0.331 |
13 |
0 |
0 |
1.000 |
5 |
|
U |
76 |
14 |
1755 |
◊ |
C |
x,y,z |
1_555 |
82 |
26 |
11826 |
700.3 |
-9.0 |
0.384 |
12 |
0 |
0 |
1.000 |
6 |
|
V |
71 |
14 |
1777 |
◊ |
E |
x,y,z |
1_555 |
81 |
26 |
11655 |
656.0 |
-8.6 |
0.402 |
13 |
1 |
0 |
1.000 |
Average: |
758.1 |
-10.5 |
0.316 |
12 |
0 |
0 |
1.000 |
3 |
7 |
|
C |
90 |
27 |
11826 |
◊ |
C |
y,x,-z-1 |
4_554 |
90 |
27 |
11826 |
807.8 |
-2.2 |
0.681 |
16 |
0 |
0 |
0.000 |
4 |
8 |
|
E |
81 |
23 |
11655 |
◊ |
A |
x,y,z |
1_555 |
78 |
23 |
11809 |
709.2 |
-6.6 |
0.346 |
7 |
0 |
0 |
0.000 |
5 |
9 |
|
D |
84 |
25 |
12033 |
◊ |
B |
x,y,z |
1_555 |
81 |
23 |
11759 |
705.6 |
-5.4 |
0.413 |
4 |
0 |
0 |
0.000 |
6 |
10 |
|
B |
74 |
23 |
11759 |
◊ |
A |
x-y-1/3,-y-2/3,-z-2/3 |
11_444 |
70 |
19 |
11809 |
673.0 |
-9.8 |
0.128 |
6 |
0 |
0 |
0.028 |
7 |
11 |
|
A |
81 |
25 |
11809 |
◊ |
C |
-x+y-1/3,-x-2/3,z+1/3 |
9_445 |
71 |
17 |
11826 |
654.2 |
-7.5 |
0.285 |
3 |
0 |
0 |
0.000 |
8 |
12 |
|
B |
62 |
19 |
11759 |
◊ |
B |
x-y-1/3,-y-2/3,-z-2/3 |
11_444 |
62 |
19 |
11759 |
564.5 |
-4.6 |
0.401 |
6 |
0 |
0 |
0.000 |
9 |
13 |
|
E |
49 |
16 |
11655 |
◊ |
E |
y+1/3,x-1/3,-z-4/3 |
16_543 |
50 |
16 |
11655 |
480.8 |
-0.7 |
0.672 |
6 |
0 |
0 |
0.000 |
10 |
14 |
|
B |
43 |
12 |
11759 |
◊ |
B |
-x,-x+y,-z-1 |
6_554 |
42 |
12 |
11759 |
388.5 |
-0.2 |
0.702 |
9 |
0 |
0 |
0.000 |
11 |
15 |
|
E |
26 |
6 |
11655 |
◊ |
C |
x-y-1/3,-y-2/3,-z-5/3 |
11_443 |
26 |
6 |
11826 |
236.8 |
-4.7 |
0.142 |
1 |
0 |
0 |
0.000 |
16 |
|
D |
22 |
8 |
12033 |
◊ |
D |
x-y-1/3,-y-2/3,-z-5/3 |
11_443 |
22 |
8 |
12033 |
227.3 |
-4.5 |
0.121 |
0 |
0 |
0 |
0.000 |
Average: |
232.1 |
-4.6 |
0.131 |
1 |
0 |
0 |
0.000 |
12 |
17 |
|
C |
26 |
7 |
11826 |
◊ |
C |
x-y,-y,-z-1 |
5_554 |
26 |
7 |
11826 |
234.3 |
-0.6 |
0.613 |
2 |
0 |
0 |
0.000 |
13 |
18 |
|
D |
16 |
4 |
12033 |
◊ |
B |
-x,-x+y,-z-1 |
6_554 |
26 |
11 |
11759 |
201.5 |
-1.2 |
0.453 |
1 |
0 |
0 |
0.000 |
14 |
19 |
|
U |
17 |
4 |
1755 |
◊ |
E |
x-y-1/3,-y-2/3,-z-5/3 |
11_443 |
22 |
8 |
11655 |
182.2 |
-2.8 |
0.397 |
1 |
0 |
0 |
0.000 |
15 |
20 |
|
[NAG]E:601 |
11 |
1 |
365 |
cf |
E |
x,y,z |
1_555 |
16 |
8 |
11655 |
154.7 |
3.7 |
0.454 |
0 |
0 |
0 |
0.000 |
21 |
|
[NAG]C:601 |
10 |
1 |
364 |
cf |
C |
x,y,z |
1_555 |
14 |
7 |
11826 |
149.1 |
4.3 |
0.546 |
1 |
0 |
0 |
0.000 |
Average: |
151.9 |
4.0 |
0.500 |
1 |
0 |
0 |
0.000 |
16 |
22 |
|
T |
14 |
3 |
1760 |
◊ |
D |
x-y-1/3,-y-2/3,-z-5/3 |
11_443 |
15 |
6 |
12033 |
151.6 |
-2.7 |
0.318 |
2 |
0 |
0 |
0.012 |
23 |
|
R |
14 |
3 |
1741 |
◊ |
B |
x-y-1/3,-y-2/3,-z-2/3 |
11_444 |
14 |
5 |
11759 |
130.0 |
-2.1 |
0.349 |
1 |
0 |
0 |
0.012 |
24 |
|
S |
14 |
3 |
1761 |
◊ |
A |
x-y-1/3,-y-2/3,-z-2/3 |
11_444 |
11 |
4 |
11809 |
129.9 |
-2.4 |
0.268 |
1 |
0 |
0 |
0.012 |
25 |
|
V |
11 |
3 |
1777 |
◊ |
C |
x-y-1/3,-y-2/3,-z-5/3 |
11_443 |
11 |
4 |
11826 |
123.7 |
-2.3 |
0.312 |
1 |
0 |
0 |
0.012 |
Average: |
133.8 |
-2.4 |
0.312 |
1 |
0 |
0 |
0.012 |
17 |
26 |
|
[NAG]D:601 |
9 |
1 |
361 |
cf |
D |
x,y,z |
1_555 |
14 |
8 |
12033 |
145.7 |
3.8 |
0.520 |
0 |
0 |
0 |
0.000 |
18 |
27 |
|
A |
14 |
5 |
11809 |
◊ |
A |
y+1/3,x-1/3,-z-4/3 |
16_543 |
14 |
5 |
11809 |
139.0 |
-1.0 |
0.499 |
2 |
0 |
0 |
0.000 |
19 |
28 |
|
D |
14 |
3 |
12033 |
◊ |
D |
-x,-x+y,-z-1 |
6_554 |
14 |
3 |
12033 |
118.0 |
-3.2 |
0.134 |
0 |
0 |
0 |
0.000 |
20 |
29 |
|
[NAG]D:602 |
9 |
1 |
365 |
◊ |
T |
x,y,z |
1_555 |
12 |
3 |
1760 |
91.3 |
0.8 |
0.269 |
0 |
0 |
0 |
0.000 |
21 |
30 |
|
[ACE]V:0 |
3 |
1 |
171 |
cf |
V |
x,y,z |
1_555 |
13 |
6 |
1777 |
88.7 |
-1.5 |
0.741 |
1 |
0 |
0 |
0.181 |
22 |
31 |
|
[ACE]U:0 |
3 |
1 |
172 |
cf |
U |
x,y,z |
1_555 |
11 |
5 |
1755 |
87.2 |
-1.5 |
0.720 |
1 |
0 |
0 |
0.201 |
32 |
|
[ACE]T:0 |
3 |
1 |
170 |
cf |
T |
x,y,z |
1_555 |
11 |
5 |
1760 |
68.8 |
-1.2 |
0.708 |
1 |
0 |
0 |
0.201 |
33 |
|
[ACE]R:0 |
3 |
1 |
172 |
cf |
R |
x,y,z |
1_555 |
11 |
5 |
1741 |
66.8 |
-1.4 |
0.681 |
1 |
0 |
0 |
0.201 |
34 |
|
[ACE]S:0 |
3 |
1 |
171 |
cf |
S |
x,y,z |
1_555 |
10 |
5 |
1761 |
66.0 |
-1.2 |
0.680 |
0 |
0 |
0 |
0.201 |
Average: |
72.2 |
-1.3 |
0.697 |
1 |
0 |
0 |
0.201 |
23 |
35 |
|
[NAG]B:601 |
10 |
1 |
357 |
◊ |
S |
x,y,z |
1_555 |
11 |
3 |
1761 |
75.6 |
0.9 |
0.225 |
0 |
0 |
0 |
0.000 |
36 |
|
[NAG]A:602 |
8 |
1 |
358 |
◊ |
R |
x,y,z |
1_555 |
8 |
2 |
1741 |
49.4 |
0.6 |
0.292 |
0 |
0 |
0 |
0.000 |
Average: |
62.5 |
0.7 |
0.258 |
0 |
0 |
0 |
0.000 |
24 |
37 |
|
[NAG]A:601 |
7 |
1 |
361 |
cf |
A |
x,y,z |
1_555 |
5 |
2 |
11809 |
75.5 |
1.9 |
0.408 |
0 |
0 |
0 |
0.000 |
25 |
38 |
|
[NAG]A:601 |
5 |
1 |
361 |
◊ |
B |
x-y-1/3,-y-2/3,-z-2/3 |
11_444 |
7 |
3 |
11759 |
69.0 |
2.1 |
0.539 |
0 |
0 |
0 |
0.000 |
26 |
39 |
|
[NAG]D:602 |
8 |
1 |
365 |
cf |
D |
x,y,z |
1_555 |
5 |
2 |
12033 |
66.1 |
1.4 |
0.292 |
1 |
0 |
0 |
0.000 |
27 |
40 |
|
T |
8 |
1 |
1760 |
◊ |
T |
x-y-1/3,-y-2/3,-z-5/3 |
11_443 |
8 |
1 |
1760 |
62.5 |
-1.1 |
0.573 |
0 |
0 |
0 |
0.002 |
41 |
|
S |
8 |
1 |
1761 |
◊ |
R |
x-y-1/3,-y-2/3,-z-2/3 |
11_444 |
8 |
1 |
1741 |
48.9 |
-0.8 |
0.637 |
0 |
0 |
0 |
0.002 |
Average: |
55.7 |
-0.9 |
0.605 |
0 |
0 |
0 |
0.002 |
28 |
42 |
|
[ACE]R:0 |
3 |
1 |
172 |
◊ |
A |
x,y,z |
1_555 |
8 |
3 |
11809 |
58.7 |
-1.3 |
0.463 |
0 |
0 |
0 |
0.078 |
43 |
|
[ACE]S:0 |
3 |
1 |
171 |
◊ |
B |
x,y,z |
1_555 |
10 |
4 |
11759 |
53.8 |
-0.9 |
0.605 |
0 |
0 |
0 |
0.078 |
44 |
|
[ACE]T:0 |
3 |
1 |
170 |
◊ |
D |
x,y,z |
1_555 |
6 |
2 |
12033 |
53.1 |
-0.9 |
0.494 |
0 |
0 |
0 |
0.078 |
45 |
|
[ACE]U:0 |
3 |
1 |
172 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
11826 |
23.0 |
-0.5 |
0.278 |
0 |
0 |
0 |
0.078 |
Average: |
47.2 |
-0.9 |
0.460 |
0 |
0 |
0 |
0.078 |
29 |
46 |
|
[NH2]V:16 |
1 |
1 |
117 |
cf |
V |
x,y,z |
1_555 |
9 |
3 |
1777 |
58.2 |
1.0 |
0.855 |
0 |
0 |
0 |
0.000 |
47 |
|
[NH2]T:16 |
1 |
1 |
117 |
cf |
T |
x,y,z |
1_555 |
8 |
3 |
1760 |
54.6 |
0.8 |
0.845 |
0 |
0 |
0 |
0.000 |
48 |
|
[NH2]U:16 |
1 |
1 |
117 |
cf |
U |
x,y,z |
1_555 |
7 |
3 |
1755 |
48.6 |
0.7 |
0.838 |
0 |
0 |
0 |
0.000 |
49 |
|
[NH2]R:16 |
1 |
1 |
117 |
cf |
R |
x,y,z |
1_555 |
9 |
3 |
1741 |
43.2 |
0.6 |
0.851 |
0 |
0 |
0 |
0.000 |
50 |
|
[NH2]S:16 |
1 |
1 |
117 |
cf |
S |
x,y,z |
1_555 |
7 |
3 |
1761 |
42.8 |
0.6 |
0.828 |
0 |
0 |
0 |
0.000 |
Average: |
49.5 |
0.8 |
0.844 |
0 |
0 |
0 |
0.000 |
30 |
51 |
|
[NAG]B:601 |
7 |
1 |
357 |
cf |
B |
x,y,z |
1_555 |
5 |
2 |
11759 |
57.0 |
1.5 |
0.297 |
0 |
0 |
0 |
0.000 |
31 |
52 |
|
[NAG]A:602 |
8 |
1 |
358 |
cf |
A |
x,y,z |
1_555 |
4 |
2 |
11809 |
56.6 |
1.6 |
0.332 |
0 |
0 |
0 |
0.000 |
32 |
53 |
|
[NAG]E:601 |
8 |
1 |
365 |
◊ |
U |
x-y-1/3,-y-2/3,-z-5/3 |
11_443 |
6 |
3 |
1755 |
54.7 |
1.1 |
0.287 |
0 |
0 |
0 |
0.000 |
33 |
54 |
|
[NAG]B:601 |
3 |
1 |
357 |
◊ |
[NAG]A:601 |
x-y-1/3,-y-2/3,-z-2/3 |
11_444 |
7 |
1 |
361 |
42.8 |
2.4 |
0.239 |
0 |
0 |
0 |
0.000 |
34 |
55 |
|
V |
8 |
1 |
1777 |
◊ |
U |
x-y-1/3,-y-2/3,-z-5/3 |
11_443 |
8 |
1 |
1755 |
42.8 |
-0.8 |
0.631 |
0 |
0 |
0 |
0.000 |
35 |
56 |
|
[NH2]R:16 |
1 |
1 |
117 |
◊ |
A |
x,y,z |
1_555 |
8 |
3 |
11809 |
31.3 |
-0.0 |
0.607 |
0 |
0 |
0 |
0.001 |
57 |
|
[NH2]S:16 |
1 |
1 |
117 |
◊ |
B |
x,y,z |
1_555 |
10 |
5 |
11759 |
30.6 |
0.1 |
0.739 |
0 |
0 |
0 |
0.001 |
58 |
|
[NH2]T:16 |
1 |
1 |
117 |
◊ |
D |
x,y,z |
1_555 |
2 |
2 |
12033 |
3.8 |
0.0 |
0.785 |
0 |
0 |
0 |
0.001 |
Average: |
21.9 |
0.0 |
0.710 |
0 |
0 |
0 |
0.001 |
36 |
59 |
|
[NAG]A:601 |
2 |
1 |
361 |
◊ |
S |
x-y-1/3,-y-2/3,-z-2/3 |
11_444 |
4 |
2 |
1761 |
29.1 |
0.8 |
0.705 |
0 |
0 |
0 |
0.000 |
37 |
60 |
|
[NAG]C:601 |
4 |
1 |
364 |
◊ |
V |
x-y-1/3,-y-2/3,-z-5/3 |
11_443 |
3 |
2 |
1777 |
23.0 |
0.7 |
0.426 |
0 |
0 |
0 |
0.000 |
38 |
61 |
|
[NAG]D:601 |
4 |
1 |
361 |
◊ |
T |
x-y-1/3,-y-2/3,-z-5/3 |
11_443 |
4 |
3 |
1760 |
22.0 |
0.6 |
0.388 |
0 |
0 |
0 |
0.000 |
39 |
62 |
|
[NH2]U:16 |
1 |
1 |
117 |
◊ |
[NAG]E:601 |
x-y-1/3,-y-2/3,-z-5/3 |
11_443 |
5 |
1 |
365 |
20.7 |
0.7 |
0.435 |
0 |
0 |
0 |
0.000 |
63 |
|
[NH2]T:16 |
1 |
1 |
117 |
◊ |
[NAG]D:601 |
x-y-1/3,-y-2/3,-z-5/3 |
11_443 |
3 |
1 |
361 |
9.8 |
0.3 |
0.461 |
0 |
0 |
0 |
0.000 |
64 |
|
[NH2]V:16 |
1 |
1 |
117 |
◊ |
[NAG]C:601 |
x-y-1/3,-y-2/3,-z-5/3 |
11_443 |
1 |
1 |
364 |
0.2 |
0.0 |
0.378 |
0 |
0 |
0 |
0.000 |
Average: |
10.2 |
0.4 |
0.425 |
0 |
0 |
0 |
0.000 |
40 |
65 |
|
[NH2]V:16 |
1 |
1 |
117 |
f |
[ACE]V:0 |
x,y,z |
1_555 |
1 |
1 |
171 |
19.3 |
-0.1 |
0.816 |
0 |
0 |
0 |
0.007 |
41 |
66 |
|
[NH2]U:16 |
1 |
1 |
117 |
f |
[ACE]U:0 |
x,y,z |
1_555 |
1 |
1 |
172 |
17.6 |
-0.1 |
0.816 |
0 |
0 |
0 |
0.010 |
67 |
|
[NH2]T:16 |
1 |
1 |
117 |
f |
[ACE]T:0 |
x,y,z |
1_555 |
1 |
1 |
170 |
14.9 |
-0.0 |
0.816 |
0 |
0 |
0 |
0.010 |
68 |
|
[NH2]R:16 |
1 |
1 |
117 |
f |
[ACE]R:0 |
x,y,z |
1_555 |
1 |
1 |
172 |
13.2 |
-0.1 |
0.816 |
0 |
0 |
0 |
0.010 |
69 |
|
[NH2]S:16 |
1 |
1 |
117 |
f |
[ACE]S:0 |
x,y,z |
1_555 |
1 |
1 |
171 |
12.7 |
-0.0 |
0.816 |
0 |
0 |
0 |
0.010 |
Average: |
14.6 |
-0.1 |
0.816 |
0 |
0 |
0 |
0.010 |
42 |
70 |
|
S |
1 |
1 |
1761 |
◊ |
B |
x-y-1/3,-y-2/3,-z-2/3 |
11_444 |
2 |
1 |
11759 |
15.5 |
0.8 |
0.891 |
0 |
0 |
0 |
0.000 |
43 |
71 |
|
[NAG]B:601 |
1 |
1 |
357 |
◊ |
A |
x-y-1/3,-y-2/3,-z-2/3 |
11_444 |
1 |
1 |
11809 |
9.2 |
0.4 |
0.759 |
0 |
0 |
0 |
0.000 |
44 |
72 |
|
[ACE]T:0 |
2 |
1 |
170 |
◊ |
[NAG]D:602 |
x,y,z |
1_555 |
3 |
1 |
365 |
8.7 |
0.1 |
0.436 |
0 |
0 |
0 |
0.000 |
45 |
73 |
|
[NH2]S:16 |
1 |
1 |
117 |
◊ |
[NAG]A:601 |
x-y-1/3,-y-2/3,-z-2/3 |
11_444 |
1 |
1 |
361 |
6.9 |
0.3 |
0.535 |
0 |
0 |
0 |
0.000 |
46 |
74 |
|
A |
1 |
1 |
11809 |
◊ |
U |
-x+y-1/3,-x-2/3,z+1/3 |
9_445 |
1 |
1 |
1755 |
5.6 |
0.3 |
0.836 |
0 |
0 |
0 |
0.000 |
75 |
|
R |
1 |
1 |
1741 |
◊ |
C |
-x+y-1/3,-x-2/3,z+1/3 |
9_445 |
1 |
1 |
11826 |
2.1 |
0.1 |
0.763 |
0 |
0 |
0 |
0.000 |
Average: |
3.8 |
0.2 |
0.799 |
0 |
0 |
0 |
0.000 |
47 |
76 |
|
[ACE]S:0 |
1 |
1 |
171 |
◊ |
[NAG]B:601 |
x,y,z |
1_555 |
1 |
1 |
357 |
4.4 |
0.1 |
0.378 |
0 |
0 |
0 |
0.000 |
77 |
|
[ACE]R:0 |
1 |
1 |
172 |
◊ |
[NAG]A:602 |
x,y,z |
1_555 |
1 |
1 |
358 |
2.4 |
0.1 |
0.488 |
0 |
0 |
0 |
0.000 |
Average: |
3.4 |
0.1 |
0.433 |
0 |
0 |
0 |
0.000 |
48 |
78 |
|
[NH2]U:16 |
1 |
1 |
117 |
◊ |
E |
x-y-1/3,-y-2/3,-z-5/3 |
11_443 |
1 |
1 |
11655 |
3.7 |
-0.0 |
0.591 |
0 |
0 |
0 |
0.000 |
49 |
79 |
|
[NAG]A:602 |
1 |
1 |
358 |
◊ |
B |
x-y-1/3,-y-2/3,-z-2/3 |
11_444 |
1 |
1 |
11759 |
3.2 |
0.1 |
0.517 |
0 |
0 |
0 |
0.000 |
|