| ## |
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 |
183 |
50 |
10931 |
◊ |
E |
x,y,z |
1_555 |
190 |
55 |
11037 |
1717.5 |
-24.0 |
0.142 |
13 |
0 |
0 |
0.491 |
2 |
|
H |
183 |
52 |
10838 |
◊ |
L |
x,y,z |
1_555 |
194 |
53 |
11091 |
1683.0 |
-25.0 |
0.163 |
13 |
0 |
0 |
0.491 |
3 |
|
D |
179 |
45 |
10890 |
◊ |
C |
x,y,z |
1_555 |
187 |
54 |
10972 |
1682.0 |
-24.6 |
0.129 |
11 |
0 |
0 |
0.491 |
4 |
|
B |
179 |
48 |
10838 |
◊ |
A |
x,y,z |
1_555 |
192 |
54 |
11014 |
1668.1 |
-23.3 |
0.180 |
12 |
0 |
0 |
0.491 |
| Average: |
1687.6 |
-24.2 |
0.153 |
12 |
0 |
0 |
0.491 |
| 2 |
5 |
|
L |
81 |
26 |
11091 |
◊ |
C |
x,y,z |
1_555 |
82 |
27 |
10972 |
790.9 |
-5.0 |
0.543 |
13 |
1 |
0 |
0.031 |
6 |
|
E |
79 |
25 |
11037 |
◊ |
A |
x,y,z |
1_555 |
77 |
27 |
11014 |
764.1 |
-6.1 |
0.445 |
12 |
0 |
0 |
0.031 |
| Average: |
777.5 |
-5.5 |
0.494 |
13 |
1 |
0 |
0.031 |
| 3 |
7 |
|
C |
38 |
12 |
10972 |
◊ |
D |
x-1/2,-y-1/2,-z |
4_445 |
49 |
17 |
10890 |
392.1 |
-0.1 |
0.793 |
7 |
1 |
0 |
0.000 |
8 |
|
F |
37 |
16 |
10931 |
◊ |
E |
x-1/2,-y-1/2,-z+1 |
4_446 |
37 |
11 |
11037 |
355.7 |
-0.9 |
0.696 |
4 |
2 |
0 |
0.000 |
| Average: |
373.9 |
-0.5 |
0.744 |
6 |
2 |
0 |
0.000 |
| 4 |
9 |
|
L |
46 |
17 |
11091 |
◊ |
B |
-x+3/2,-y,z-1/2 |
2_654 |
42 |
11 |
10838 |
384.3 |
-1.8 |
0.709 |
5 |
0 |
0 |
0.000 |
| 5 |
10 |
|
C |
30 |
9 |
10972 |
◊ |
B |
-x+3/2,-y,z-1/2 |
2_654 |
33 |
11 |
10838 |
277.6 |
-1.4 |
0.648 |
3 |
0 |
0 |
0.000 |
| 6 |
11 |
|
H |
35 |
10 |
10838 |
◊ |
A |
-x+1/2,-y,z-1/2 |
2_554 |
36 |
14 |
11014 |
273.6 |
-1.2 |
0.724 |
1 |
0 |
0 |
0.000 |
| 7 |
12 |
|
L |
30 |
11 |
11091 |
◊ |
D |
x-1/2,-y-1/2,-z |
4_445 |
29 |
8 |
10890 |
250.8 |
-0.5 |
0.760 |
8 |
0 |
0 |
0.000 |
| 8 |
13 |
|
B |
28 |
10 |
10838 |
◊ |
L |
x,y,z |
1_555 |
33 |
12 |
11091 |
234.8 |
-0.4 |
0.781 |
3 |
0 |
0 |
0.000 |
| 9 |
14 |
|
F |
29 |
12 |
10931 |
◊ |
H |
-x+1,y-1/2,-z+1/2 |
3_645 |
26 |
9 |
10838 |
208.4 |
-1.0 |
0.751 |
3 |
0 |
0 |
0.000 |
| 10 |
15 |
|
H |
18 |
6 |
10838 |
◊ |
A |
x,y,z |
1_555 |
25 |
10 |
11014 |
194.8 |
-1.2 |
0.579 |
5 |
0 |
0 |
0.000 |
| 11 |
16 |
|
B |
24 |
7 |
10838 |
◊ |
C |
x,y,z |
1_555 |
18 |
6 |
10972 |
155.0 |
-0.6 |
0.669 |
0 |
0 |
0 |
0.000 |
| 12 |
17 |
|
[GOL]F:302 |
6 |
1 |
218 |
f |
F |
x,y,z |
1_555 |
33 |
10 |
10931 |
146.3 |
-1.1 |
0.665 |
1 |
0 |
0 |
0.021 |
| 13 |
18 |
|
E |
13 |
6 |
11037 |
◊ |
C |
x-1,y,z |
1_455 |
14 |
5 |
10972 |
130.7 |
-1.1 |
0.430 |
2 |
0 |
0 |
0.000 |
| 14 |
19 |
|
[GOL]D:302 |
6 |
1 |
219 |
f |
D |
x,y,z |
1_555 |
26 |
8 |
10890 |
129.4 |
-1.1 |
0.547 |
1 |
0 |
0 |
0.026 |
| 15 |
20 |
|
H |
17 |
6 |
10838 |
◊ |
B |
x,y,z |
1_555 |
18 |
7 |
10838 |
126.9 |
-1.3 |
0.600 |
1 |
0 |
0 |
0.000 |
| 16 |
21 |
|
H |
16 |
5 |
10838 |
◊ |
E |
-x+1/2,-y,z-1/2 |
2_554 |
17 |
6 |
11037 |
118.9 |
-0.7 |
0.614 |
1 |
0 |
0 |
0.000 |
| 17 |
22 |
|
F |
11 |
6 |
10931 |
x |
F |
x-1/2,-y-1/2,-z+1 |
4_446 |
13 |
3 |
10931 |
118.1 |
-1.2 |
0.475 |
1 |
0 |
0 |
0.000 |
| 18 |
23 |
|
[SO4]H:301 |
5 |
1 |
184 |
f |
H |
x,y,z |
1_555 |
16 |
7 |
10838 |
104.7 |
-14.2 |
0.910 |
5 |
0 |
0 |
0.214 |
| 19 |
24 |
|
[SO4]F:301 |
5 |
1 |
185 |
f |
F |
x,y,z |
1_555 |
15 |
8 |
10931 |
101.4 |
-14.8 |
0.853 |
5 |
0 |
0 |
0.237 |
| 20 |
25 |
|
[SO4]B:301 |
5 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
13 |
7 |
10838 |
101.4 |
-14.2 |
0.848 |
3 |
0 |
0 |
0.222 |
| 21 |
26 |
|
[PEG]L:305 |
7 |
1 |
264 |
◊ |
L |
x,y,z |
1_555 |
13 |
5 |
11091 |
100.9 |
3.0 |
0.354 |
0 |
0 |
0 |
0.000 |
| 22 |
27 |
|
[GOL]L:303 |
5 |
1 |
220 |
f |
L |
x,y,z |
1_555 |
13 |
7 |
11091 |
97.3 |
-0.0 |
0.592 |
1 |
0 |
0 |
0.006 |
| 23 |
28 |
|
[GOL]A:303 |
6 |
1 |
218 |
◊ |
A |
x,y,z |
1_555 |
10 |
4 |
11014 |
96.4 |
0.3 |
0.718 |
2 |
0 |
0 |
0.000 |
| 24 |
29 |
|
[SO4]D:301 |
5 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
16 |
8 |
10890 |
95.7 |
-14.3 |
0.872 |
4 |
0 |
0 |
0.267 |
| 25 |
30 |
|
D |
10 |
2 |
10890 |
x |
D |
x-1/2,-y-1/2,-z |
4_445 |
12 |
6 |
10890 |
95.7 |
-1.5 |
0.422 |
1 |
0 |
0 |
0.000 |
| 26 |
31 |
|
[SO4]A:301 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
11 |
4 |
11014 |
94.9 |
-11.6 |
0.889 |
2 |
0 |
0 |
0.178 |
| 27 |
32 |
|
[SO4]C:302 |
5 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
10 |
4 |
10972 |
92.4 |
-11.3 |
0.883 |
2 |
0 |
0 |
0.202 |
| 28 |
33 |
|
[SO4]E:301 |
5 |
1 |
184 |
f |
E |
x,y,z |
1_555 |
10 |
4 |
11037 |
91.6 |
-10.9 |
0.898 |
2 |
0 |
0 |
0.164 |
| 29 |
34 |
|
[GOL]L:306 |
6 |
1 |
221 |
◊ |
B |
-x+3/2,-y,z-1/2 |
2_654 |
15 |
6 |
10838 |
91.0 |
0.8 |
0.719 |
1 |
0 |
0 |
0.000 |
| 30 |
35 |
|
[GOL]E:302 |
6 |
1 |
218 |
f |
E |
x,y,z |
1_555 |
17 |
7 |
11037 |
89.7 |
-1.1 |
0.412 |
1 |
0 |
0 |
0.021 |
| 31 |
36 |
|
[GOL]L:304 |
5 |
1 |
215 |
◊ |
H |
x,y,z |
1_555 |
15 |
7 |
10838 |
88.4 |
-1.1 |
0.529 |
3 |
0 |
0 |
0.032 |
| 32 |
37 |
|
[GOL]L:304 |
6 |
1 |
215 |
f |
L |
x,y,z |
1_555 |
14 |
6 |
11091 |
86.2 |
-0.3 |
0.610 |
6 |
0 |
0 |
0.039 |
| 33 |
38 |
|
F |
13 |
6 |
10931 |
◊ |
[GOL]E:302 |
x-1/2,-y-1/2,-z+1 |
4_446 |
5 |
1 |
218 |
85.6 |
1.0 |
0.801 |
4 |
0 |
0 |
0.000 |
| 34 |
39 |
|
D |
9 |
4 |
10890 |
◊ |
B |
-x+1,y-1/2,-z+1/2 |
3_645 |
8 |
3 |
10838 |
85.0 |
0.2 |
0.760 |
1 |
0 |
0 |
0.000 |
| 35 |
40 |
|
L |
11 |
3 |
11091 |
◊ |
B |
-x+1/2,-y,z-1/2 |
2_554 |
8 |
3 |
10838 |
84.8 |
-0.8 |
0.478 |
1 |
0 |
0 |
0.000 |
| 36 |
41 |
|
[GOL]D:303 |
4 |
1 |
221 |
f |
D |
x,y,z |
1_555 |
8 |
3 |
10890 |
78.6 |
0.0 |
0.514 |
1 |
0 |
0 |
0.007 |
| 37 |
42 |
|
[SO4]L:301 |
5 |
1 |
185 |
f |
L |
x,y,z |
1_555 |
11 |
4 |
11091 |
77.8 |
-9.0 |
0.932 |
3 |
0 |
0 |
0.135 |
| 38 |
43 |
|
[GOL]B:302 |
5 |
1 |
215 |
f |
B |
x,y,z |
1_555 |
12 |
4 |
10838 |
73.1 |
-0.3 |
0.608 |
0 |
0 |
0 |
0.004 |
| 39 |
44 |
|
F |
12 |
5 |
10931 |
◊ |
A |
x-1/2,-y-1/2,-z+1 |
4_446 |
9 |
6 |
11014 |
72.0 |
-1.4 |
0.417 |
0 |
0 |
0 |
0.000 |
| 40 |
45 |
|
[SO4]H:302 |
4 |
1 |
185 |
f |
H |
x,y,z |
1_555 |
10 |
4 |
10838 |
71.1 |
-9.7 |
0.856 |
2 |
0 |
0 |
0.138 |
| 41 |
46 |
|
[GOL]L:302 |
6 |
1 |
218 |
f |
L |
x,y,z |
1_555 |
8 |
4 |
11091 |
69.2 |
0.6 |
0.710 |
1 |
0 |
0 |
0.000 |
| 42 |
47 |
|
[SO4]C:301 |
5 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
10 |
4 |
10838 |
67.5 |
-9.5 |
0.686 |
1 |
0 |
0 |
0.142 |
| 43 |
48 |
|
[GOL]L:306 |
5 |
1 |
221 |
f |
L |
x,y,z |
1_555 |
10 |
4 |
11091 |
66.1 |
0.3 |
0.576 |
1 |
0 |
0 |
0.001 |
| 44 |
49 |
|
[SO4]F:303 |
4 |
1 |
185 |
f |
F |
x,y,z |
1_555 |
9 |
4 |
10931 |
65.6 |
-7.9 |
0.959 |
2 |
0 |
0 |
0.122 |
| 45 |
50 |
|
L |
12 |
5 |
11091 |
◊ |
[GOL]B:302 |
-x+3/2,-y,z-1/2 |
2_654 |
4 |
1 |
215 |
62.1 |
0.7 |
0.751 |
1 |
0 |
0 |
0.000 |
| 46 |
51 |
|
[SO4]C:301 |
4 |
1 |
184 |
◊ |
C |
x,y,z |
1_555 |
8 |
5 |
10972 |
59.5 |
-6.7 |
0.944 |
2 |
0 |
0 |
0.000 |
| 47 |
52 |
|
[SO4]F:303 |
5 |
1 |
185 |
◊ |
E |
x-1/2,-y-1/2,-z+1 |
4_446 |
7 |
2 |
11037 |
59.4 |
-6.4 |
0.897 |
0 |
0 |
0 |
0.000 |
| 48 |
53 |
|
H |
5 |
2 |
10838 |
◊ |
A |
-x+3/2,-y,z-1/2 |
2_654 |
10 |
4 |
11014 |
58.5 |
-0.2 |
0.608 |
1 |
0 |
0 |
0.000 |
| 49 |
54 |
|
L |
4 |
2 |
11091 |
◊ |
A |
-x+3/2,-y,z-1/2 |
2_654 |
9 |
3 |
11014 |
54.3 |
-0.4 |
0.314 |
0 |
0 |
0 |
0.000 |
| 50 |
55 |
|
[SO4]H:302 |
4 |
1 |
185 |
◊ |
A |
-x+1/2,-y,z-1/2 |
2_554 |
7 |
4 |
11014 |
53.6 |
-6.6 |
0.866 |
2 |
0 |
0 |
0.000 |
| 51 |
56 |
|
[GOL]A:302 |
5 |
1 |
217 |
f |
A |
x,y,z |
1_555 |
5 |
2 |
11014 |
51.7 |
0.8 |
0.688 |
0 |
0 |
0 |
0.000 |
| 52 |
57 |
|
H |
4 |
3 |
10838 |
f |
[GOL]A:303 |
-x+1/2,-y,z-1/2 |
2_554 |
4 |
1 |
218 |
46.6 |
-0.5 |
0.541 |
1 |
0 |
0 |
0.012 |
| 53 |
58 |
|
[GOL]L:306 |
3 |
1 |
221 |
f |
[GOL]L:303 |
x,y,z |
1_555 |
4 |
1 |
220 |
42.8 |
-0.3 |
0.478 |
1 |
0 |
0 |
0.009 |
| 54 |
59 |
|
E |
2 |
1 |
11037 |
◊ |
C |
x,y,z |
1_555 |
2 |
1 |
10972 |
33.5 |
-0.5 |
0.268 |
0 |
0 |
0 |
0.000 |
| 55 |
60 |
|
[GOL]B:302 |
3 |
1 |
215 |
◊ |
A |
x,y,z |
1_555 |
7 |
2 |
11014 |
31.2 |
-0.1 |
0.568 |
0 |
0 |
0 |
0.001 |
| 56 |
61 |
|
[GOL]B:302 |
4 |
1 |
215 |
f |
[SO4]B:301 |
x,y,z |
1_555 |
3 |
1 |
184 |
30.7 |
-3.8 |
0.683 |
0 |
0 |
0 |
0.054 |
| 57 |
62 |
|
H |
3 |
1 |
10838 |
◊ |
B |
-x+1/2,-y,z-1/2 |
2_554 |
3 |
2 |
10838 |
24.6 |
-0.3 |
0.471 |
0 |
0 |
0 |
0.000 |
| 58 |
63 |
|
L |
2 |
1 |
11091 |
◊ |
[SO4]B:301 |
-x+3/2,-y,z-1/2 |
2_654 |
4 |
1 |
184 |
20.8 |
-2.4 |
0.460 |
0 |
0 |
0 |
0.000 |
| 59 |
64 |
|
[SO4]H:302 |
4 |
1 |
185 |
f |
[SO4]H:301 |
x,y,z |
1_555 |
3 |
1 |
184 |
17.1 |
-3.5 |
0.995 |
0 |
0 |
0 |
0.046 |
| 60 |
65 |
|
[SO4]F:301 |
1 |
1 |
185 |
◊ |
E |
x,y,z |
1_555 |
3 |
1 |
11037 |
13.2 |
-1.4 |
0.786 |
0 |
0 |
0 |
0.019 |
| 61 |
66 |
|
[PEG]L:305 |
2 |
1 |
264 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
10838 |
12.0 |
0.2 |
0.380 |
0 |
0 |
0 |
0.000 |
| 62 |
67 |
|
H |
2 |
1 |
10838 |
◊ |
E |
x,y,z |
1_555 |
1 |
1 |
11037 |
11.8 |
0.2 |
0.766 |
0 |
0 |
0 |
0.000 |
| 63 |
68 |
|
[GOL]L:303 |
1 |
1 |
220 |
◊ |
B |
-x+3/2,-y,z-1/2 |
2_654 |
1 |
1 |
10838 |
10.3 |
-0.0 |
0.648 |
0 |
0 |
0 |
0.000 |
| 64 |
69 |
|
[SO4]F:303 |
2 |
1 |
185 |
◊ |
A |
x-1/2,-y-1/2,-z+1 |
4_446 |
2 |
2 |
11014 |
10.0 |
-1.4 |
0.591 |
0 |
0 |
0 |
0.000 |
| 65 |
70 |
|
[GOL]L:303 |
2 |
1 |
220 |
f |
[SO4]L:301 |
x,y,z |
1_555 |
4 |
1 |
185 |
6.9 |
-0.5 |
0.764 |
0 |
0 |
0 |
0.006 |
| 66 |
71 |
|
[SO4]C:301 |
1 |
1 |
184 |
◊ |
L |
x,y,z |
1_555 |
2 |
1 |
11091 |
5.1 |
-0.6 |
0.721 |
0 |
0 |
0 |
0.000 |
| 67 |
72 |
|
[PEG]L:305 |
1 |
1 |
264 |
f |
H |
x,y,z |
1_555 |
1 |
1 |
10838 |
4.1 |
-0.0 |
0.465 |
0 |
0 |
0 |
0.000 |
| 68 |
73 |
|
[SO4]D:301 |
2 |
1 |
185 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
10972 |
3.2 |
-0.3 |
0.865 |
0 |
0 |
0 |
0.005 |
| 69 |
74 |
|
[GOL]D:303 |
1 |
1 |
221 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
10972 |
3.0 |
-0.0 |
0.600 |
0 |
0 |
0 |
0.000 |
| 70 |
75 |
|
[PEG]L:305 |
1 |
1 |
264 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
10972 |
1.8 |
0.1 |
0.453 |
0 |
0 |
0 |
0.000 |
| 71 |
76 |
|
E |
1 |
1 |
11037 |
◊ |
D |
x-1,y,z |
1_455 |
1 |
1 |
10890 |
1.7 |
0.1 |
0.731 |
0 |
0 |
0 |
0.000 |
| 72 |
77 |
|
[GOL]A:303 |
1 |
1 |
218 |
◊ |
E |
x,y,z |
1_555 |
1 |
1 |
11037 |
1.6 |
-0.0 |
0.475 |
0 |
0 |
0 |
0.000 |
|