## |
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 |
192 |
54 |
11420 |
◊ |
D |
x,y,z |
1_555 |
194 |
54 |
11995 |
1839.2 |
-27.5 |
0.040 |
16 |
4 |
0 |
0.884 |
2 |
|
L |
188 |
56 |
11716 |
◊ |
H |
x,y,z |
1_555 |
191 |
55 |
11976 |
1806.7 |
-24.4 |
0.056 |
16 |
4 |
0 |
0.884 |
Average: |
1822.9 |
-25.9 |
0.048 |
16 |
4 |
0 |
0.884 |
2 |
3 |
|
F |
66 |
21 |
9756 |
◊ |
C |
x,y,z |
1_555 |
66 |
20 |
10051 |
585.1 |
-0.5 |
0.614 |
6 |
1 |
0 |
0.000 |
3 |
4 |
|
H |
37 |
11 |
11976 |
◊ |
F |
x,y,z |
1_555 |
50 |
19 |
9756 |
425.7 |
-2.7 |
0.426 |
15 |
1 |
0 |
0.148 |
5 |
|
D |
40 |
11 |
11995 |
◊ |
C |
x,y,z |
1_555 |
47 |
18 |
10051 |
420.8 |
-2.4 |
0.480 |
13 |
1 |
0 |
0.148 |
Average: |
423.3 |
-2.6 |
0.453 |
14 |
1 |
0 |
0.148 |
4 |
6 |
|
L |
48 |
15 |
11716 |
◊ |
F |
x,y,z |
1_555 |
41 |
18 |
9756 |
408.3 |
-1.6 |
0.527 |
3 |
1 |
0 |
0.047 |
7 |
|
E |
42 |
14 |
11420 |
◊ |
C |
x,y,z |
1_555 |
37 |
14 |
10051 |
400.6 |
-3.0 |
0.362 |
3 |
1 |
0 |
0.047 |
Average: |
404.5 |
-2.3 |
0.445 |
3 |
1 |
0 |
0.047 |
5 |
8 |
|
H |
42 |
14 |
11976 |
◊ |
E |
-x+1,y-1/2,-z+1 |
2_646 |
36 |
12 |
11420 |
377.1 |
0.3 |
0.752 |
7 |
1 |
0 |
0.000 |
9 |
|
L |
33 |
11 |
11716 |
◊ |
D |
-x+1,y-1/2,-z |
2_645 |
38 |
13 |
11995 |
363.7 |
-1.8 |
0.547 |
7 |
0 |
0 |
0.000 |
Average: |
370.4 |
-0.8 |
0.650 |
7 |
1 |
0 |
0.000 |
6 |
10 |
|
F |
37 |
13 |
9756 |
◊ |
C |
x,y,z-1 |
1_554 |
34 |
11 |
10051 |
334.9 |
2.2 |
0.814 |
6 |
1 |
0 |
0.000 |
7 |
11 |
|
E |
27 |
12 |
11420 |
◊ |
D |
x-1,y,z |
1_455 |
28 |
9 |
11995 |
256.2 |
-1.7 |
0.500 |
1 |
0 |
0 |
0.000 |
8 |
12 |
|
H |
23 |
10 |
11976 |
◊ |
D |
-x+1,y-1/2,-z+1 |
2_646 |
24 |
7 |
11995 |
219.5 |
-2.3 |
0.418 |
1 |
0 |
0 |
0.000 |
13 |
|
H |
25 |
6 |
11976 |
◊ |
D |
-x+1,y-1/2,-z |
2_645 |
30 |
12 |
11995 |
208.9 |
-1.2 |
0.601 |
1 |
0 |
0 |
0.000 |
Average: |
214.2 |
-1.8 |
0.510 |
1 |
0 |
0 |
0.000 |
9 |
14 |
|
C |
22 |
9 |
10051 |
x |
C |
x-1,y,z |
1_455 |
26 |
8 |
10051 |
219.4 |
0.7 |
0.626 |
3 |
1 |
0 |
0.000 |
10 |
15 |
|
L |
22 |
7 |
11716 |
◊ |
D |
-x,y-1/2,-z |
2_545 |
27 |
9 |
11995 |
216.9 |
-1.1 |
0.478 |
1 |
0 |
0 |
0.000 |
11 |
16 |
|
[NAG]F:601 |
14 |
1 |
363 |
cf |
F |
x,y,z |
1_555 |
27 |
11 |
9756 |
182.8 |
4.7 |
0.398 |
2 |
0 |
0 |
0.000 |
12 |
17 |
|
L |
17 |
3 |
11716 |
◊ |
E |
-x+1,y-1/2,-z+1 |
2_646 |
13 |
6 |
11420 |
171.6 |
-0.0 |
0.647 |
2 |
0 |
0 |
0.000 |
18 |
|
L |
16 |
5 |
11716 |
◊ |
E |
-x+1,y-1/2,-z |
2_645 |
17 |
4 |
11420 |
169.8 |
-0.2 |
0.634 |
1 |
0 |
0 |
0.000 |
Average: |
170.7 |
-0.1 |
0.640 |
2 |
0 |
0 |
0.000 |
13 |
19 |
|
H |
15 |
5 |
11976 |
x |
H |
x-1,y,z |
1_455 |
23 |
10 |
11976 |
159.9 |
-3.0 |
0.189 |
0 |
0 |
0 |
0.000 |
14 |
20 |
|
[NAG]B:1 |
14 |
1 |
364 |
cf |
D |
x,y,z |
1_555 |
17 |
7 |
11995 |
156.9 |
3.8 |
0.338 |
1 |
0 |
0 |
0.000 |
15 |
21 |
|
[NAG]A:1 |
14 |
1 |
360 |
cf |
H |
x,y,z |
1_555 |
19 |
8 |
11976 |
153.5 |
3.6 |
0.357 |
1 |
0 |
0 |
0.000 |
16 |
22 |
|
F |
22 |
10 |
9756 |
x |
F |
x-1,y,z |
1_455 |
15 |
7 |
9756 |
147.0 |
0.4 |
0.518 |
0 |
0 |
0 |
0.000 |
17 |
23 |
|
[NAG]B:2 |
9 |
1 |
356 |
f |
D |
x,y,z |
1_555 |
13 |
6 |
11995 |
105.1 |
2.6 |
0.381 |
3 |
0 |
0 |
0.000 |
18 |
24 |
|
[NAG]A:2 |
10 |
1 |
365 |
f |
H |
x,y,z |
1_555 |
16 |
5 |
11976 |
100.9 |
1.2 |
0.258 |
4 |
0 |
0 |
0.015 |
19 |
25 |
|
[SO4]D:505 |
5 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
16 |
8 |
11995 |
87.4 |
-13.3 |
0.788 |
1 |
0 |
0 |
0.280 |
20 |
26 |
|
D |
11 |
4 |
11995 |
◊ |
F |
x,y,z |
1_555 |
13 |
5 |
9756 |
82.4 |
0.5 |
0.714 |
0 |
0 |
0 |
0.000 |
27 |
|
H |
8 |
3 |
11976 |
◊ |
C |
x,y,z |
1_555 |
11 |
4 |
10051 |
78.4 |
0.8 |
0.776 |
0 |
0 |
0 |
0.000 |
Average: |
80.4 |
0.7 |
0.745 |
0 |
0 |
0 |
0.000 |
21 |
28 |
|
[NAG]B:2 |
8 |
1 |
356 |
cf |
[NAG]B:1 |
x,y,z |
1_555 |
6 |
1 |
364 |
70.9 |
2.2 |
0.119 |
0 |
0 |
0 |
0.000 |
22 |
29 |
|
[GOL]D:504 |
4 |
1 |
220 |
◊ |
C |
x,y,z |
1_555 |
9 |
5 |
10051 |
69.6 |
-0.0 |
0.632 |
0 |
0 |
0 |
0.000 |
23 |
30 |
|
[SO4]F:602 |
4 |
1 |
186 |
f |
F |
x,y,z |
1_555 |
16 |
6 |
9756 |
68.1 |
-8.6 |
0.860 |
1 |
0 |
0 |
0.156 |
24 |
31 |
|
[SO4]E:301 |
5 |
1 |
185 |
f |
E |
x,y,z |
1_555 |
8 |
4 |
11420 |
67.1 |
-9.2 |
0.797 |
3 |
0 |
0 |
0.214 |
25 |
32 |
|
[SO4]L:301 |
5 |
1 |
186 |
f |
L |
x,y,z |
1_555 |
10 |
4 |
11716 |
65.6 |
-8.4 |
0.747 |
2 |
0 |
0 |
0.254 |
26 |
33 |
|
[NAG]A:2 |
11 |
1 |
365 |
cf |
[NAG]A:1 |
x,y,z |
1_555 |
7 |
1 |
360 |
64.3 |
0.8 |
0.057 |
0 |
0 |
0 |
0.000 |
27 |
34 |
|
[MAN]B:3 |
7 |
1 |
290 |
cf |
[NAG]B:2 |
x,y,z |
1_555 |
6 |
1 |
356 |
63.9 |
1.9 |
0.133 |
0 |
0 |
0 |
0.000 |
28 |
35 |
|
[GOL]H:503 |
5 |
1 |
217 |
◊ |
H |
x,y,z |
1_555 |
7 |
3 |
11976 |
61.9 |
0.4 |
0.675 |
2 |
0 |
0 |
0.008 |
29 |
36 |
|
[SO4]F:602 |
5 |
1 |
186 |
◊ |
L |
x,y,z |
1_555 |
9 |
4 |
11716 |
60.4 |
-7.5 |
0.755 |
1 |
0 |
0 |
0.123 |
30 |
37 |
|
[NAG]B:1 |
3 |
1 |
364 |
◊ |
E |
x,y,z |
1_555 |
11 |
4 |
11420 |
57.9 |
1.6 |
0.622 |
0 |
0 |
0 |
0.000 |
31 |
38 |
|
[GOL]H:503 |
5 |
1 |
217 |
f |
F |
x,y,z |
1_555 |
7 |
2 |
9756 |
56.4 |
-0.1 |
0.600 |
1 |
0 |
0 |
0.009 |
32 |
39 |
|
[GOL]D:504 |
4 |
1 |
220 |
f |
D |
x,y,z |
1_555 |
7 |
3 |
11995 |
55.2 |
-0.1 |
0.513 |
1 |
0 |
0 |
0.010 |
33 |
40 |
|
[NAG]A:1 |
2 |
1 |
360 |
◊ |
L |
x,y,z |
1_555 |
10 |
4 |
11716 |
52.6 |
1.6 |
0.696 |
0 |
0 |
0 |
0.000 |
34 |
41 |
|
[MAN]B:3 |
6 |
1 |
290 |
◊ |
D |
x-1,y,z |
1_455 |
8 |
3 |
11995 |
50.3 |
0.4 |
0.277 |
0 |
0 |
0 |
0.000 |
35 |
42 |
|
[GOL]D:504 |
2 |
1 |
220 |
◊ |
F |
x,y,z |
1_555 |
8 |
3 |
9756 |
45.3 |
0.2 |
0.666 |
0 |
0 |
0 |
0.000 |
36 |
43 |
|
[MAN]B:3 |
4 |
1 |
290 |
f |
D |
x,y,z |
1_555 |
5 |
2 |
11995 |
37.3 |
0.6 |
0.352 |
0 |
0 |
0 |
0.000 |
37 |
44 |
|
L |
7 |
2 |
11716 |
◊ |
H |
x-1,y,z |
1_455 |
8 |
2 |
11976 |
36.1 |
-0.0 |
0.631 |
0 |
0 |
0 |
0.000 |
38 |
45 |
|
[NAG]F:601 |
2 |
1 |
363 |
◊ |
F |
x-1,y,z |
1_455 |
5 |
2 |
9756 |
32.8 |
0.5 |
0.510 |
0 |
0 |
0 |
0.000 |
39 |
46 |
|
H |
3 |
1 |
11976 |
◊ |
E |
-x,y-1/2,-z+1 |
2_546 |
4 |
2 |
11420 |
30.1 |
-0.6 |
0.340 |
0 |
0 |
0 |
0.000 |
40 |
47 |
|
[GOL]H:503 |
3 |
1 |
217 |
◊ |
C |
x,y,z |
1_555 |
5 |
2 |
10051 |
23.7 |
0.0 |
0.603 |
0 |
0 |
0 |
0.000 |
41 |
48 |
|
C |
6 |
2 |
10051 |
◊ |
F |
x-1,y,z |
1_455 |
2 |
1 |
9756 |
18.8 |
0.2 |
0.692 |
0 |
0 |
0 |
0.000 |
42 |
49 |
|
[SO4]F:602 |
1 |
1 |
186 |
◊ |
H |
x,y,z |
1_555 |
1 |
1 |
11976 |
11.5 |
-1.2 |
0.834 |
0 |
0 |
0 |
0.018 |
43 |
50 |
|
H |
2 |
1 |
11976 |
◊ |
E |
-x+1,y-1/2,-z |
2_645 |
2 |
1 |
11420 |
10.0 |
-0.1 |
0.480 |
0 |
0 |
0 |
0.000 |
51 |
|
L |
1 |
1 |
11716 |
◊ |
D |
-x+1,y-1/2,-z+1 |
2_646 |
1 |
1 |
11995 |
0.2 |
0.0 |
0.640 |
0 |
0 |
0 |
0.000 |
Average: |
5.1 |
-0.1 |
0.560 |
0 |
0 |
0 |
0.000 |
44 |
52 |
|
[NAG]B:2 |
1 |
1 |
356 |
◊ |
E |
x,y,z |
1_555 |
1 |
1 |
11420 |
5.1 |
-0.0 |
0.217 |
0 |
0 |
0 |
0.000 |
45 |
53 |
|
[MAN]B:3 |
1 |
1 |
290 |
◊ |
E |
x,y,z |
1_555 |
1 |
1 |
11420 |
1.0 |
-0.0 |
0.303 |
0 |
0 |
0 |
0.000 |
46 |
54 |
|
D |
1 |
1 |
11995 |
x |
D |
x-1,y,z |
1_455 |
1 |
1 |
11995 |
0.2 |
-0.0 |
0.605 |
0 |
0 |
0 |
0.000 |
|