## |
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 |
|
F |
98 |
26 |
10156 |
◊ |
E |
x,y,z |
1_555 |
100 |
25 |
13758 |
1011.4 |
-19.4 |
0.013 |
12 |
3 |
0 |
0.296 |
2 |
2 |
|
D |
101 |
26 |
12861 |
◊ |
C |
x,y,z |
1_555 |
99 |
25 |
13848 |
1009.7 |
-19.9 |
0.006 |
11 |
1 |
0 |
0.152 |
3 |
3 |
|
B |
102 |
26 |
13482 |
◊ |
A |
x,y,z |
1_555 |
99 |
25 |
13820 |
1009.0 |
-19.7 |
0.003 |
11 |
1 |
0 |
0.142 |
4 |
4 |
|
A |
84 |
23 |
13820 |
◊ |
F |
-x+1,y-1/2,-z |
2_645 |
85 |
24 |
10156 |
771.8 |
-5.2 |
0.530 |
7 |
5 |
0 |
0.034 |
5 |
5 |
|
C |
88 |
23 |
13848 |
◊ |
A |
x,y,z |
1_555 |
88 |
23 |
13820 |
722.4 |
-1.3 |
0.614 |
9 |
5 |
0 |
0.031 |
6 |
6 |
|
[NAD]A:401 |
43 |
1 |
808 |
f |
A |
x,y,z |
1_555 |
85 |
29 |
13820 |
579.6 |
-8.5 |
0.445 |
12 |
0 |
0 |
0.176 |
7 |
|
[NAD]C:401 |
43 |
1 |
804 |
f |
C |
x,y,z |
1_555 |
84 |
29 |
13848 |
578.0 |
-8.2 |
0.459 |
13 |
0 |
0 |
0.176 |
8 |
|
[NAD]B:401 |
42 |
1 |
803 |
f |
B |
x,y,z |
1_555 |
84 |
28 |
13482 |
577.8 |
-8.4 |
0.469 |
13 |
0 |
0 |
0.176 |
9 |
|
[NAD]E:401 |
42 |
1 |
804 |
f |
E |
x,y,z |
1_555 |
86 |
28 |
13758 |
577.1 |
-9.6 |
0.369 |
12 |
0 |
0 |
0.176 |
Average: |
578.1 |
-8.7 |
0.436 |
13 |
0 |
0 |
0.176 |
7 |
10 |
|
[NAD]D:401 |
43 |
1 |
813 |
f |
D |
x,y,z |
1_555 |
81 |
27 |
12861 |
577.2 |
-8.3 |
0.500 |
11 |
0 |
0 |
0.080 |
8 |
11 |
|
E |
68 |
19 |
13758 |
◊ |
B |
x,y,z |
1_555 |
52 |
13 |
13482 |
525.8 |
-3.3 |
0.418 |
5 |
3 |
0 |
0.014 |
9 |
12 |
|
B |
56 |
19 |
13482 |
◊ |
C |
-x+1,y-1/2,-z+1 |
2_646 |
45 |
12 |
13848 |
434.5 |
-1.1 |
0.496 |
5 |
1 |
0 |
0.010 |
10 |
13 |
|
D |
37 |
9 |
12861 |
◊ |
E |
x-1,y,z |
1_455 |
38 |
11 |
13758 |
356.7 |
0.4 |
0.737 |
2 |
2 |
0 |
0.002 |
11 |
14 |
|
C |
36 |
10 |
13848 |
◊ |
B |
x,y,z |
1_555 |
32 |
9 |
13482 |
329.1 |
2.1 |
0.840 |
7 |
2 |
0 |
0.004 |
12 |
15 |
|
D |
32 |
9 |
12861 |
◊ |
A |
x,y,z |
1_555 |
37 |
10 |
13820 |
321.6 |
1.6 |
0.827 |
5 |
3 |
0 |
0.003 |
13 |
16 |
|
C |
21 |
8 |
13848 |
◊ |
E |
-x+1,y-1/2,-z+1 |
2_646 |
25 |
7 |
13758 |
219.5 |
0.9 |
0.744 |
1 |
0 |
0 |
0.000 |
14 |
17 |
|
[GOL]E:404 |
6 |
1 |
221 |
f |
E |
x,y,z |
1_555 |
23 |
8 |
13758 |
148.3 |
-0.5 |
0.549 |
4 |
0 |
0 |
0.026 |
15 |
18 |
|
[GOL]B:404 |
6 |
1 |
220 |
f |
B |
x,y,z |
1_555 |
22 |
8 |
13482 |
145.7 |
-0.9 |
0.515 |
4 |
0 |
0 |
0.016 |
16 |
19 |
|
[GOL]A:404 |
6 |
1 |
217 |
f |
A |
x,y,z |
1_555 |
23 |
7 |
13820 |
142.0 |
-0.7 |
0.561 |
3 |
0 |
0 |
0.012 |
17 |
20 |
|
E |
16 |
6 |
13758 |
◊ |
C |
x,y,z |
1_555 |
17 |
6 |
13848 |
140.4 |
-0.5 |
0.531 |
1 |
0 |
0 |
0.002 |
18 |
21 |
|
[GOL]A:403 |
6 |
1 |
219 |
f |
A |
x,y,z |
1_555 |
23 |
11 |
13820 |
139.7 |
0.1 |
0.661 |
3 |
0 |
0 |
0.015 |
22 |
|
[GOL]B:403 |
6 |
1 |
218 |
f |
B |
x,y,z |
1_555 |
21 |
9 |
13482 |
134.3 |
0.0 |
0.650 |
3 |
0 |
0 |
0.015 |
Average: |
137.0 |
0.0 |
0.656 |
3 |
0 |
0 |
0.015 |
19 |
23 |
|
[GOL]D:403 |
6 |
1 |
219 |
f |
D |
x,y,z |
1_555 |
20 |
9 |
12861 |
139.2 |
-0.0 |
0.569 |
4 |
0 |
0 |
0.011 |
20 |
24 |
|
[GOL]B:405 |
6 |
1 |
217 |
f |
B |
x,y,z |
1_555 |
19 |
8 |
13482 |
139.0 |
-0.6 |
0.511 |
4 |
0 |
0 |
0.013 |
21 |
25 |
|
[GOL]E:405 |
6 |
1 |
218 |
f |
E |
x,y,z |
1_555 |
21 |
8 |
13758 |
139.0 |
-0.7 |
0.519 |
2 |
0 |
0 |
0.019 |
22 |
26 |
|
[GOL]C:403 |
6 |
1 |
218 |
f |
C |
x,y,z |
1_555 |
25 |
11 |
13848 |
138.5 |
-0.1 |
0.643 |
2 |
0 |
0 |
0.006 |
23 |
27 |
|
[GOL]C:405 |
6 |
1 |
221 |
f |
C |
x,y,z |
1_555 |
21 |
8 |
13848 |
137.5 |
-0.9 |
0.442 |
1 |
0 |
0 |
0.008 |
24 |
28 |
|
[GOL]E:403 |
6 |
1 |
221 |
f |
E |
x,y,z |
1_555 |
22 |
9 |
13758 |
135.3 |
-0.0 |
0.618 |
3 |
0 |
0 |
0.016 |
25 |
29 |
|
[GOL]A:405 |
6 |
1 |
217 |
f |
A |
x,y,z |
1_555 |
20 |
8 |
13820 |
134.9 |
-0.9 |
0.467 |
2 |
0 |
0 |
0.010 |
26 |
30 |
|
[GOL]C:404 |
6 |
1 |
217 |
f |
C |
x,y,z |
1_555 |
20 |
8 |
13848 |
133.3 |
-0.2 |
0.559 |
4 |
0 |
0 |
0.012 |
27 |
31 |
|
[GOL]F:401 |
6 |
1 |
215 |
f |
F |
x,y,z |
1_555 |
19 |
11 |
10156 |
131.1 |
-0.1 |
0.641 |
6 |
0 |
0 |
0.100 |
28 |
32 |
|
[GOL]C:406 |
6 |
1 |
221 |
f |
C |
x,y,z |
1_555 |
22 |
8 |
13848 |
128.5 |
-0.5 |
0.488 |
1 |
0 |
0 |
0.006 |
29 |
33 |
|
[SO4]C:412 |
5 |
1 |
187 |
f |
C |
x,y,z |
1_555 |
16 |
7 |
13848 |
114.1 |
-17.6 |
0.506 |
2 |
0 |
0 |
0.112 |
30 |
34 |
|
[SO4]E:406 |
5 |
1 |
187 |
f |
E |
x,y,z |
1_555 |
19 |
7 |
13758 |
107.9 |
-14.5 |
0.836 |
2 |
0 |
0 |
0.181 |
31 |
35 |
|
[GOL]A:411 |
6 |
1 |
217 |
f |
C |
x,y,z |
1_555 |
18 |
7 |
13848 |
104.0 |
-0.5 |
0.519 |
4 |
0 |
0 |
0.014 |
32 |
36 |
|
[SO4]B:409 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
12 |
6 |
13482 |
98.3 |
-14.5 |
0.730 |
1 |
0 |
0 |
0.085 |
33 |
37 |
|
[GOL]A:407 |
6 |
1 |
219 |
f |
A |
x,y,z |
1_555 |
15 |
6 |
13820 |
97.3 |
-1.0 |
0.394 |
2 |
0 |
0 |
0.011 |
34 |
38 |
|
A |
14 |
5 |
13820 |
◊ |
D |
-x,y-1/2,-z |
2_545 |
8 |
6 |
12861 |
94.6 |
2.1 |
0.865 |
1 |
0 |
0 |
0.000 |
35 |
39 |
|
[SO4]A:410 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
13 |
6 |
13820 |
92.3 |
-13.5 |
0.797 |
3 |
0 |
0 |
0.085 |
36 |
40 |
|
[SO4]C:407 |
5 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
11 |
7 |
13848 |
92.3 |
-12.3 |
0.884 |
5 |
0 |
0 |
0.088 |
37 |
41 |
|
[SO4]A:408 |
5 |
1 |
188 |
f |
A |
x,y,z |
1_555 |
10 |
7 |
13820 |
90.9 |
-11.0 |
0.949 |
3 |
0 |
0 |
0.071 |
38 |
42 |
|
[SO4]D:404 |
5 |
1 |
187 |
f |
D |
x,y,z |
1_555 |
11 |
6 |
12861 |
89.9 |
-13.2 |
0.814 |
3 |
0 |
0 |
0.088 |
39 |
43 |
|
[GOL]A:406 |
6 |
1 |
215 |
f |
A |
x,y,z |
1_555 |
18 |
8 |
13820 |
89.6 |
-0.7 |
0.516 |
4 |
0 |
0 |
0.014 |
40 |
44 |
|
[SO4]B:407 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
10 |
5 |
13482 |
88.4 |
-12.8 |
0.803 |
3 |
0 |
0 |
0.081 |
41 |
45 |
|
[SO4]E:407 |
5 |
1 |
187 |
f |
E |
x,y,z |
1_555 |
11 |
6 |
13758 |
84.2 |
-12.3 |
0.789 |
3 |
0 |
0 |
0.161 |
42 |
46 |
|
[SO4]C:409 |
5 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
10 |
5 |
13848 |
84.1 |
-11.1 |
0.912 |
4 |
0 |
0 |
0.079 |
43 |
47 |
|
[SO4]B:406 |
5 |
1 |
187 |
f |
B |
x,y,z |
1_555 |
10 |
5 |
13482 |
82.2 |
-10.1 |
0.885 |
2 |
0 |
0 |
0.063 |
44 |
48 |
|
[SO4]C:413 |
5 |
1 |
187 |
f |
C |
x,y,z |
1_555 |
11 |
4 |
13848 |
80.8 |
-11.5 |
0.809 |
2 |
0 |
0 |
0.075 |
45 |
49 |
|
[SO4]C:410 |
5 |
1 |
188 |
f |
C |
x,y,z |
1_555 |
12 |
5 |
13848 |
79.3 |
-11.1 |
0.692 |
2 |
0 |
0 |
0.073 |
46 |
50 |
|
[SO4]A:409 |
5 |
1 |
187 |
f |
A |
x,y,z |
1_555 |
10 |
5 |
13820 |
79.1 |
-10.1 |
0.852 |
2 |
0 |
0 |
0.063 |
47 |
51 |
|
B |
14 |
5 |
13482 |
◊ |
E |
-x+2,y-1/2,-z+1 |
2_746 |
7 |
4 |
13758 |
75.4 |
0.7 |
0.743 |
0 |
1 |
0 |
0.000 |
48 |
52 |
|
[SO4]B:408 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
8 |
4 |
13482 |
74.8 |
-10.2 |
0.821 |
2 |
0 |
0 |
0.063 |
49 |
53 |
|
[GOL]A:411 |
6 |
1 |
217 |
◊ |
A |
x,y,z |
1_555 |
11 |
4 |
13820 |
72.8 |
-0.2 |
0.542 |
2 |
0 |
0 |
0.005 |
50 |
54 |
|
[SO4]C:408 |
5 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
9 |
4 |
13848 |
71.1 |
-8.4 |
0.886 |
2 |
0 |
0 |
0.056 |
51 |
55 |
|
A |
7 |
2 |
13820 |
◊ |
B |
x-1,y,z |
1_455 |
8 |
3 |
13482 |
69.8 |
1.8 |
0.892 |
2 |
1 |
0 |
0.000 |
52 |
56 |
|
[GOL]A:406 |
5 |
1 |
215 |
◊ |
C |
x,y,z |
1_555 |
13 |
5 |
13848 |
68.9 |
-0.2 |
0.540 |
1 |
0 |
0 |
0.003 |
53 |
57 |
|
F |
7 |
1 |
10156 |
◊ |
C |
x,y,z-1 |
1_554 |
6 |
2 |
13848 |
68.8 |
0.3 |
0.690 |
0 |
1 |
0 |
0.000 |
54 |
58 |
|
B |
11 |
2 |
13482 |
f |
[SO4]C:411 |
-x+1,y-1/2,-z+1 |
2_646 |
4 |
1 |
186 |
67.3 |
-9.0 |
0.681 |
1 |
0 |
0 |
0.054 |
55 |
59 |
|
[SO4]D:405 |
4 |
1 |
186 |
f |
E |
x-1,y,z |
1_455 |
8 |
4 |
13758 |
60.3 |
-8.2 |
0.703 |
0 |
0 |
0 |
0.097 |
56 |
60 |
|
[SO4]C:411 |
5 |
1 |
186 |
◊ |
C |
x,y,z |
1_555 |
8 |
4 |
13848 |
58.8 |
-6.8 |
0.849 |
3 |
0 |
0 |
0.023 |
57 |
61 |
|
[GOL]A:407 |
6 |
1 |
219 |
◊ |
C |
x,y,z |
1_555 |
11 |
3 |
13848 |
57.4 |
-0.4 |
0.470 |
1 |
0 |
0 |
0.005 |
58 |
62 |
|
[GOL]A:405 |
4 |
1 |
217 |
f |
[NAD]A:401 |
x,y,z |
1_555 |
7 |
1 |
808 |
52.2 |
0.3 |
0.600 |
1 |
0 |
0 |
0.001 |
59 |
63 |
|
[GOL]C:405 |
3 |
1 |
221 |
f |
[NAD]C:401 |
x,y,z |
1_555 |
6 |
1 |
804 |
51.4 |
0.9 |
0.757 |
1 |
0 |
0 |
0.000 |
60 |
64 |
|
[GOL]E:405 |
4 |
1 |
218 |
f |
[NAD]E:401 |
x,y,z |
1_555 |
6 |
1 |
804 |
49.6 |
0.9 |
0.740 |
1 |
0 |
0 |
0.000 |
61 |
65 |
|
[SO4]A:408 |
4 |
1 |
188 |
◊ |
C |
x,y,z |
1_555 |
10 |
2 |
13848 |
48.2 |
-5.7 |
0.879 |
2 |
0 |
0 |
0.034 |
62 |
66 |
|
[GOL]B:405 |
4 |
1 |
217 |
f |
[NAD]B:401 |
x,y,z |
1_555 |
5 |
1 |
803 |
48.1 |
0.7 |
0.700 |
2 |
0 |
0 |
0.001 |
63 |
67 |
|
[SO4]C:407 |
4 |
1 |
186 |
◊ |
A |
x,y,z |
1_555 |
10 |
2 |
13820 |
43.6 |
-5.9 |
0.669 |
0 |
0 |
0 |
0.030 |
64 |
68 |
|
A |
8 |
4 |
13820 |
◊ |
C |
-x+1,y-1/2,-z+1 |
2_646 |
3 |
2 |
13848 |
41.1 |
1.3 |
0.779 |
0 |
0 |
0 |
0.000 |
65 |
69 |
|
[SO4]C:410 |
4 |
1 |
188 |
◊ |
E |
-x+1,y-1/2,-z+1 |
2_646 |
6 |
2 |
13758 |
39.2 |
-5.1 |
0.621 |
0 |
0 |
0 |
0.000 |
66 |
70 |
|
[SO4]D:405 |
4 |
1 |
186 |
◊ |
D |
x,y,z |
1_555 |
3 |
1 |
12861 |
36.0 |
-3.5 |
0.966 |
1 |
0 |
0 |
0.010 |
67 |
71 |
|
[SO4]B:409 |
3 |
1 |
186 |
◊ |
A |
x,y,z |
1_555 |
5 |
3 |
13820 |
35.7 |
-4.3 |
0.742 |
0 |
0 |
0 |
0.025 |
68 |
72 |
|
[GOL]B:403 |
4 |
1 |
218 |
◊ |
C |
-x+1,y-1/2,-z+1 |
2_646 |
3 |
1 |
13848 |
34.9 |
0.6 |
0.757 |
2 |
0 |
0 |
0.000 |
69 |
73 |
|
A |
4 |
1 |
13820 |
◊ |
[SO4]B:408 |
x-1,y,z |
1_455 |
4 |
1 |
186 |
34.8 |
-3.5 |
0.929 |
1 |
0 |
0 |
0.000 |
70 |
74 |
|
D |
5 |
1 |
12861 |
◊ |
[GOL]E:403 |
x-1,y,z |
1_455 |
4 |
1 |
221 |
32.7 |
-0.2 |
0.516 |
0 |
0 |
0 |
0.000 |
71 |
75 |
|
[GOL]A:407 |
2 |
1 |
219 |
f |
[GOL]A:406 |
x,y,z |
1_555 |
4 |
1 |
215 |
31.7 |
0.1 |
0.650 |
1 |
0 |
0 |
0.002 |
72 |
76 |
|
D |
5 |
2 |
12861 |
◊ |
[SO4]E:406 |
x-1,y,z |
1_455 |
3 |
1 |
187 |
28.4 |
-3.5 |
0.726 |
0 |
0 |
0 |
0.009 |
73 |
77 |
|
[SO4]C:409 |
4 |
1 |
185 |
f |
[GOL]C:404 |
x,y,z |
1_555 |
2 |
1 |
217 |
27.5 |
-2.4 |
0.865 |
1 |
0 |
0 |
0.017 |
74 |
78 |
|
C |
3 |
2 |
13848 |
◊ |
B |
x-1,y,z |
1_455 |
5 |
3 |
13482 |
27.4 |
1.0 |
0.773 |
1 |
0 |
0 |
0.000 |
75 |
79 |
|
C |
2 |
1 |
13848 |
◊ |
E |
x-1,y,z |
1_455 |
1 |
1 |
13758 |
22.2 |
-0.1 |
0.418 |
0 |
0 |
0 |
0.000 |
76 |
80 |
|
[SO4]C:407 |
3 |
1 |
186 |
f |
[GOL]C:403 |
x,y,z |
1_555 |
2 |
1 |
218 |
21.5 |
-1.8 |
0.863 |
2 |
0 |
0 |
0.016 |
77 |
81 |
|
[SO4]A:408 |
3 |
1 |
188 |
f |
[GOL]A:403 |
x,y,z |
1_555 |
2 |
1 |
219 |
21.3 |
-1.8 |
0.863 |
1 |
0 |
0 |
0.013 |
78 |
82 |
|
B |
4 |
2 |
13482 |
◊ |
D |
-x+1,y-1/2,-z |
2_645 |
3 |
1 |
12861 |
20.3 |
0.4 |
0.764 |
0 |
0 |
0 |
0.000 |
79 |
83 |
|
[GOL]A:404 |
4 |
1 |
217 |
◊ |
F |
-x+1,y-1/2,-z |
2_645 |
2 |
2 |
10156 |
18.0 |
0.2 |
0.742 |
0 |
0 |
0 |
0.000 |
80 |
84 |
|
[SO4]C:412 |
3 |
1 |
187 |
f |
[SO4]C:408 |
x,y,z |
1_555 |
1 |
1 |
186 |
15.4 |
-3.7 |
0.891 |
0 |
0 |
0 |
0.022 |
81 |
85 |
|
[GOL]B:404 |
4 |
1 |
220 |
◊ |
E |
x,y,z |
1_555 |
1 |
1 |
13758 |
14.7 |
0.2 |
0.765 |
0 |
0 |
0 |
0.000 |
82 |
86 |
|
B |
2 |
1 |
13482 |
◊ |
F |
-x+1,y-1/2,-z |
2_645 |
1 |
1 |
10156 |
7.4 |
-0.0 |
0.488 |
0 |
0 |
0 |
0.000 |
83 |
87 |
|
[GOL]A:404 |
1 |
1 |
217 |
f |
[NAD]A:401 |
x,y,z |
1_555 |
1 |
1 |
808 |
4.5 |
-0.0 |
0.571 |
0 |
0 |
0 |
0.000 |
84 |
88 |
|
[GOL]C:404 |
1 |
1 |
217 |
f |
[NAD]C:401 |
x,y,z |
1_555 |
1 |
1 |
804 |
3.5 |
-0.0 |
0.581 |
0 |
0 |
0 |
0.000 |
85 |
89 |
|
[GOL]B:404 |
1 |
1 |
220 |
f |
[NAD]B:401 |
x,y,z |
1_555 |
1 |
1 |
803 |
3.3 |
-0.0 |
0.567 |
0 |
0 |
0 |
0.000 |
86 |
90 |
|
[GOL]D:403 |
1 |
1 |
219 |
◊ |
E |
x-1,y,z |
1_455 |
1 |
1 |
13758 |
0.4 |
-0.0 |
0.528 |
0 |
0 |
0 |
0.000 |
87 |
91 |
|
[GOL]E:404 |
1 |
1 |
221 |
f |
[NAD]E:401 |
x,y,z |
1_555 |
1 |
1 |
804 |
0.1 |
-0.0 |
0.546 |
0 |
0 |
0 |
0.000 |
|