| ## |
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 |
81 |
25 |
5154 |
◊ |
C |
x,y,z |
1_555 |
90 |
26 |
4998 |
856.0 |
-10.3 |
0.265 |
13 |
5 |
0 |
0.703 |
2 |
|
C |
79 |
25 |
4998 |
◊ |
B |
x,y,z |
1_555 |
88 |
26 |
5053 |
841.9 |
-13.1 |
0.142 |
12 |
3 |
0 |
0.703 |
3 |
|
E |
80 |
24 |
5067 |
◊ |
D |
x,y,z |
1_555 |
83 |
23 |
5154 |
826.0 |
-11.6 |
0.175 |
12 |
5 |
0 |
0.703 |
4 |
|
B |
81 |
25 |
5053 |
◊ |
A |
x,y,z |
1_555 |
85 |
25 |
5197 |
823.0 |
-12.1 |
0.150 |
12 |
5 |
0 |
0.703 |
5 |
|
I |
79 |
25 |
5075 |
◊ |
H |
x,y,z |
1_555 |
81 |
24 |
5275 |
822.1 |
-11.5 |
0.162 |
13 |
5 |
0 |
0.703 |
6 |
|
F |
79 |
23 |
5019 |
◊ |
E |
x,y,z |
1_555 |
71 |
22 |
5067 |
807.5 |
-12.0 |
0.133 |
11 |
4 |
0 |
0.703 |
7 |
|
H |
79 |
24 |
5275 |
◊ |
G |
x,y,z |
1_555 |
83 |
24 |
4952 |
802.0 |
-11.6 |
0.181 |
11 |
5 |
0 |
0.703 |
8 |
|
F |
80 |
23 |
5019 |
◊ |
A |
x,y,z |
1_555 |
77 |
26 |
5197 |
784.4 |
-11.6 |
0.159 |
12 |
5 |
0 |
0.703 |
| Average: |
820.4 |
-11.7 |
0.171 |
12 |
5 |
0 |
0.703 |
| 2 |
9 |
|
I |
78 |
23 |
5075 |
◊ |
G |
-x,y,-z+2 |
2_557 |
75 |
23 |
4952 |
764.9 |
-13.2 |
0.133 |
10 |
4 |
0 |
0.866 |
| 3 |
10 |
|
H |
48 |
15 |
5275 |
◊ |
D |
-x+1/2,y-1/2,-z+2 |
4_547 |
46 |
12 |
5154 |
437.2 |
1.7 |
0.687 |
7 |
1 |
0 |
0.000 |
11 |
|
H |
47 |
12 |
5275 |
◊ |
A |
x,y,z |
1_555 |
49 |
16 |
5197 |
426.7 |
1.6 |
0.732 |
6 |
1 |
0 |
0.000 |
12 |
|
A |
45 |
12 |
5197 |
◊ |
D |
-x+1/2,y-1/2,-z+2 |
4_547 |
49 |
15 |
5154 |
418.2 |
1.6 |
0.721 |
6 |
0 |
0 |
0.000 |
| Average: |
427.4 |
1.6 |
0.713 |
6 |
1 |
0 |
0.000 |
| 4 |
13 |
|
I |
32 |
10 |
5075 |
◊ |
G |
x,y,z-1 |
1_554 |
27 |
7 |
4952 |
257.1 |
-2.0 |
0.526 |
3 |
0 |
0 |
0.000 |
| 5 |
14 |
|
C |
19 |
5 |
4998 |
◊ |
F |
x,y,z-1 |
1_554 |
25 |
6 |
5019 |
207.8 |
1.0 |
0.772 |
4 |
1 |
0 |
0.000 |
| 6 |
15 |
|
B |
22 |
9 |
5053 |
◊ |
F |
x,y,z-1 |
1_554 |
23 |
6 |
5019 |
193.4 |
-0.5 |
0.601 |
2 |
3 |
0 |
0.000 |
| 7 |
16 |
|
H |
20 |
6 |
5275 |
◊ |
C |
-x+1/2,y-1/2,-z+2 |
4_547 |
25 |
6 |
4998 |
178.6 |
0.1 |
0.671 |
2 |
0 |
0 |
0.000 |
17 |
|
F |
20 |
5 |
5019 |
◊ |
D |
-x+1/2,y-1/2,-z+2 |
4_547 |
17 |
5 |
5154 |
150.2 |
-1.4 |
0.440 |
0 |
0 |
0 |
0.000 |
18 |
|
G |
20 |
4 |
4952 |
◊ |
A |
x,y,z |
1_555 |
17 |
5 |
5197 |
149.5 |
-1.6 |
0.453 |
0 |
0 |
0 |
0.000 |
| Average: |
159.4 |
-1.0 |
0.521 |
1 |
0 |
0 |
0.000 |
| 8 |
19 |
|
C |
12 |
5 |
4998 |
◊ |
E |
x,y,z-1 |
1_554 |
20 |
5 |
5067 |
162.4 |
-2.4 |
0.237 |
0 |
0 |
0 |
0.000 |
| 9 |
20 |
|
[GOL]G:103 |
6 |
1 |
221 |
f |
G |
x,y,z |
1_555 |
17 |
6 |
4952 |
118.7 |
1.1 |
0.711 |
7 |
0 |
0 |
0.100 |
| 10 |
21 |
|
[GOL]D:103 |
6 |
1 |
220 |
◊ |
D |
x,y,z |
1_555 |
16 |
7 |
5154 |
98.2 |
0.1 |
0.640 |
3 |
0 |
0 |
0.008 |
| 11 |
22 |
|
[GOL]A:103 |
6 |
1 |
218 |
f |
A |
x,y,z |
1_555 |
17 |
7 |
5197 |
92.3 |
-0.5 |
0.528 |
1 |
0 |
0 |
0.007 |
| 12 |
23 |
|
[GOL]D:103 |
5 |
1 |
220 |
f |
E |
x,y,z |
1_555 |
10 |
4 |
5067 |
82.5 |
-1.4 |
0.335 |
0 |
0 |
0 |
0.100 |
| 13 |
24 |
|
[GOL]G:102 |
6 |
1 |
221 |
◊ |
G |
x,y,z |
1_555 |
15 |
6 |
4952 |
80.9 |
-0.5 |
0.566 |
2 |
0 |
0 |
0.018 |
| 14 |
25 |
|
[SO4]H:101 |
5 |
1 |
185 |
f |
H |
x,y,z |
1_555 |
14 |
6 |
5275 |
78.1 |
-11.6 |
0.673 |
1 |
0 |
0 |
0.165 |
| 15 |
26 |
|
[GOL]A:104 |
5 |
1 |
218 |
f |
A |
x,y,z |
1_555 |
13 |
5 |
5197 |
77.3 |
0.2 |
0.642 |
5 |
0 |
0 |
0.016 |
| 16 |
27 |
|
[GOL]A:103 |
5 |
1 |
218 |
◊ |
B |
x,y,z |
1_555 |
11 |
4 |
5053 |
75.9 |
-0.8 |
0.434 |
0 |
0 |
0 |
0.005 |
| 17 |
28 |
|
[GOL]G:102 |
5 |
1 |
221 |
f |
H |
x,y,z |
1_555 |
11 |
4 |
5275 |
74.8 |
-1.1 |
0.375 |
1 |
0 |
0 |
0.021 |
| 18 |
29 |
|
H |
12 |
5 |
5275 |
◊ |
[TRS]D:104 |
-x+1/2,y-1/2,-z+2 |
4_547 |
5 |
1 |
257 |
73.7 |
0.6 |
0.587 |
0 |
0 |
0 |
0.000 |
| 19 |
30 |
|
[TRS]D:104 |
5 |
1 |
257 |
◊ |
D |
x,y,z |
1_555 |
12 |
5 |
5154 |
73.2 |
0.5 |
0.601 |
0 |
0 |
0 |
0.000 |
| 20 |
31 |
|
A |
11 |
5 |
5197 |
f |
[TRS]D:104 |
-x+1/2,y-1/2,-z+2 |
4_547 |
5 |
1 |
257 |
72.7 |
0.5 |
0.592 |
0 |
0 |
0 |
0.000 |
| 21 |
32 |
|
[SO4]A:101 |
4 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
12 |
4 |
5197 |
71.3 |
-9.4 |
0.879 |
2 |
0 |
0 |
0.080 |
| 22 |
33 |
|
G |
10 |
3 |
4952 |
◊ |
G |
-x,y,-z+3 |
2_558 |
10 |
3 |
4952 |
66.5 |
0.6 |
0.768 |
0 |
0 |
0 |
0.000 |
| 23 |
34 |
|
[SO4]H:101 |
4 |
1 |
185 |
◊ |
I |
x,y,z |
1_555 |
10 |
4 |
5075 |
66.2 |
-9.4 |
0.645 |
0 |
0 |
0 |
0.128 |
| 24 |
35 |
|
[SO4]A:102 |
5 |
1 |
186 |
f |
H |
x,y,z |
1_555 |
8 |
3 |
5275 |
65.2 |
-8.4 |
0.907 |
2 |
0 |
0 |
0.127 |
| 25 |
36 |
|
[SO4]D:102 |
5 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
9 |
3 |
4998 |
64.7 |
-8.6 |
0.637 |
0 |
0 |
0 |
0.100 |
| 26 |
37 |
|
[SO4]D:101 |
5 |
1 |
186 |
f |
D |
x,y,z |
1_555 |
8 |
3 |
5154 |
63.9 |
-8.2 |
0.904 |
2 |
0 |
0 |
0.100 |
| 27 |
38 |
|
[GOL]A:104 |
4 |
1 |
218 |
◊ |
D |
-x+1/2,y-1/2,-z+2 |
4_547 |
6 |
3 |
5154 |
60.1 |
0.1 |
0.655 |
2 |
0 |
0 |
0.000 |
| 28 |
39 |
|
[GOL]G:101 |
6 |
1 |
221 |
◊ |
[GOL]G:101 |
-x,y,-z+2 |
2_557 |
6 |
1 |
221 |
56.2 |
-0.1 |
0.532 |
0 |
0 |
0 |
0.000 |
| 29 |
40 |
|
[SO4]D:102 |
4 |
1 |
184 |
◊ |
D |
x,y,z |
1_555 |
9 |
3 |
5154 |
51.3 |
-6.8 |
0.764 |
0 |
0 |
0 |
0.045 |
| 30 |
41 |
|
[GOL]B:101 |
4 |
1 |
221 |
f |
B |
x,y,z |
1_555 |
4 |
2 |
5053 |
45.4 |
0.3 |
0.607 |
2 |
0 |
0 |
0.100 |
| 31 |
42 |
|
[GOL]G:102 |
4 |
1 |
221 |
◊ |
A |
x,y,z |
1_555 |
6 |
3 |
5197 |
43.4 |
0.3 |
0.623 |
1 |
0 |
0 |
0.000 |
| 32 |
43 |
|
[SO4]A:102 |
4 |
1 |
186 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
5197 |
40.7 |
-3.3 |
0.963 |
1 |
0 |
0 |
0.000 |
| 33 |
44 |
|
H |
2 |
1 |
5275 |
◊ |
[SO4]D:101 |
-x+1/2,y-1/2,-z+2 |
4_547 |
4 |
1 |
186 |
40.0 |
-2.9 |
0.977 |
1 |
0 |
0 |
0.000 |
| 34 |
45 |
|
[GOL]B:101 |
4 |
1 |
221 |
◊ |
A |
x,y,z |
1_555 |
6 |
3 |
5197 |
39.8 |
-0.0 |
0.608 |
1 |
0 |
0 |
0.003 |
| 35 |
46 |
|
[SO4]A:101 |
4 |
1 |
186 |
◊ |
D |
-x+1/2,y-1/2,-z+2 |
4_547 |
2 |
1 |
5154 |
39.3 |
-2.6 |
0.976 |
0 |
0 |
0 |
0.000 |
| 36 |
47 |
|
[GOL]B:101 |
4 |
1 |
221 |
◊ |
F |
x,y,z |
1_555 |
5 |
2 |
5019 |
36.6 |
-0.3 |
0.475 |
0 |
0 |
0 |
0.002 |
| 37 |
48 |
|
[GOL]B:101 |
6 |
1 |
221 |
◊ |
C |
x,y,z |
1_555 |
4 |
1 |
4998 |
35.3 |
0.0 |
0.626 |
1 |
0 |
0 |
0.003 |
| 38 |
49 |
|
[GOL]B:101 |
5 |
1 |
221 |
◊ |
D |
x,y,z |
1_555 |
4 |
2 |
5154 |
31.9 |
0.2 |
0.665 |
1 |
0 |
0 |
0.001 |
| 39 |
50 |
|
[GOL]G:101 |
3 |
1 |
221 |
f |
I |
-x,y,-z+2 |
2_557 |
4 |
2 |
5075 |
31.1 |
0.3 |
0.689 |
2 |
0 |
0 |
0.100 |
| 40 |
51 |
|
[GOL]B:101 |
3 |
1 |
221 |
◊ |
E |
x,y,z |
1_555 |
4 |
2 |
5067 |
30.8 |
0.0 |
0.545 |
1 |
0 |
0 |
0.003 |
| 41 |
52 |
|
[GOL]G:101 |
4 |
1 |
221 |
◊ |
H |
-x,y,-z+2 |
2_557 |
5 |
2 |
5275 |
30.1 |
0.0 |
0.573 |
1 |
0 |
0 |
0.006 |
| 42 |
53 |
|
[GOL]G:101 |
4 |
1 |
221 |
◊ |
I |
x,y,z |
1_555 |
4 |
2 |
5075 |
29.3 |
-0.4 |
0.445 |
0 |
0 |
0 |
0.004 |
| 43 |
54 |
|
[GOL]G:101 |
3 |
1 |
221 |
◊ |
G |
-x,y,-z+2 |
2_557 |
5 |
2 |
4952 |
27.8 |
-0.4 |
0.444 |
0 |
0 |
0 |
0.006 |
| 44 |
55 |
|
[GOL]G:101 |
4 |
1 |
221 |
◊ |
H |
x,y,z |
1_555 |
4 |
2 |
5275 |
27.5 |
0.0 |
0.597 |
1 |
0 |
0 |
0.005 |
| 45 |
56 |
|
[GOL]G:101 |
4 |
1 |
221 |
◊ |
G |
x,y,z |
1_555 |
5 |
2 |
4952 |
25.3 |
0.2 |
0.684 |
1 |
0 |
0 |
0.012 |
| 46 |
57 |
|
[GOL]A:104 |
2 |
1 |
218 |
f |
[GOL]A:103 |
x,y,z |
1_555 |
1 |
1 |
218 |
21.6 |
-0.1 |
0.354 |
0 |
0 |
0 |
0.000 |
| 47 |
58 |
|
[GOL]A:104 |
1 |
1 |
218 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
5053 |
10.1 |
-0.0 |
0.643 |
0 |
0 |
0 |
0.000 |
| 48 |
59 |
|
[SO4]D:101 |
1 |
1 |
186 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
4998 |
7.0 |
-1.0 |
0.512 |
0 |
0 |
0 |
0.006 |
| 49 |
60 |
|
[SO4]A:102 |
1 |
1 |
186 |
◊ |
G |
x,y,z |
1_555 |
1 |
1 |
4952 |
6.9 |
-1.0 |
0.516 |
0 |
0 |
0 |
0.013 |
| 50 |
61 |
|
I |
1 |
1 |
5075 |
◊ |
I |
-x,y,-z+1 |
2_556 |
1 |
1 |
5075 |
6.3 |
-0.2 |
0.362 |
0 |
0 |
0 |
0.000 |
| 51 |
62 |
|
[SO4]A:101 |
1 |
1 |
186 |
◊ |
F |
x,y,z |
1_555 |
1 |
1 |
5019 |
6.2 |
-0.9 |
0.528 |
0 |
0 |
0 |
0.006 |
| 52 |
63 |
|
[GOL]A:103 |
2 |
1 |
218 |
◊ |
D |
-x+1/2,y-1/2,-z+2 |
4_547 |
1 |
1 |
5154 |
3.8 |
-0.0 |
0.498 |
0 |
0 |
0 |
0.000 |
| 53 |
64 |
|
[SO4]H:101 |
1 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
5197 |
2.0 |
-0.3 |
0.698 |
0 |
0 |
0 |
0.000 |
|