| ## |
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 |
|
L |
205 |
60 |
11527 |
◊ |
H |
x,y,z |
1_555 |
205 |
55 |
11849 |
1917.2 |
-30.8 |
0.029 |
3 |
0 |
1 |
1.000 |
2 |
|
F |
195 |
56 |
11578 |
◊ |
E |
x,y,z |
1_555 |
191 |
52 |
11883 |
1887.1 |
-31.6 |
0.021 |
4 |
0 |
1 |
1.000 |
| Average: |
1902.1 |
-31.2 |
0.025 |
4 |
0 |
1 |
1.000 |
| 2 |
3 |
|
D |
159 |
51 |
22538 |
◊ |
C |
x,y,z |
1_555 |
192 |
51 |
19026 |
1738.5 |
-15.8 |
0.085 |
8 |
6 |
0 |
1.000 |
4 |
|
B |
162 |
51 |
22373 |
◊ |
A |
x,y,z |
1_555 |
191 |
54 |
19050 |
1722.5 |
-16.7 |
0.084 |
9 |
4 |
0 |
1.000 |
| Average: |
1730.5 |
-16.3 |
0.084 |
9 |
5 |
0 |
1.000 |
| 3 |
5 |
|
A |
93 |
29 |
19050 |
◊ |
C |
x,y,z-1 |
1_554 |
98 |
28 |
19026 |
942.3 |
-5.6 |
0.324 |
2 |
0 |
0 |
0.104 |
| 4 |
6 |
|
A |
82 |
28 |
19050 |
◊ |
D |
x,y,z-1 |
1_554 |
71 |
24 |
22538 |
652.1 |
-3.8 |
0.412 |
0 |
1 |
0 |
0.068 |
7 |
|
B |
65 |
19 |
22373 |
◊ |
C |
x,y,z-1 |
1_554 |
74 |
24 |
19026 |
578.5 |
-1.3 |
0.594 |
1 |
1 |
0 |
0.068 |
| Average: |
615.3 |
-2.5 |
0.503 |
1 |
1 |
0 |
0.068 |
| 5 |
8 |
|
E |
69 |
17 |
11883 |
◊ |
C |
x,y,z |
1_555 |
70 |
23 |
19026 |
576.1 |
-3.8 |
0.520 |
4 |
5 |
0 |
0.010 |
9 |
|
H |
66 |
15 |
11849 |
◊ |
A |
x,y,z |
1_555 |
61 |
21 |
19050 |
569.5 |
-3.5 |
0.512 |
6 |
5 |
0 |
0.010 |
| Average: |
572.8 |
-3.7 |
0.516 |
5 |
5 |
0 |
0.010 |
| 6 |
10 |
|
L |
44 |
12 |
11527 |
◊ |
A |
x,y,z |
1_555 |
40 |
11 |
19050 |
355.1 |
0.2 |
0.716 |
6 |
0 |
0 |
0.004 |
11 |
|
F |
44 |
12 |
11578 |
◊ |
C |
x,y,z |
1_555 |
38 |
10 |
19026 |
349.0 |
0.3 |
0.735 |
4 |
0 |
0 |
0.004 |
| Average: |
352.1 |
0.3 |
0.725 |
5 |
0 |
0 |
0.004 |
| 7 |
12 |
|
A |
35 |
12 |
19050 |
◊ |
B |
-x+1/2,y-1/2,-z+1 |
3_546 |
38 |
10 |
22373 |
331.4 |
0.8 |
0.721 |
2 |
0 |
0 |
0.000 |
| 8 |
13 |
|
E |
34 |
13 |
11883 |
◊ |
E |
-x+1,-y+1,z |
2_665 |
33 |
13 |
11883 |
264.6 |
-2.1 |
0.593 |
1 |
0 |
0 |
0.000 |
| 9 |
14 |
|
D |
30 |
11 |
22538 |
◊ |
A |
x,y,z |
1_555 |
30 |
8 |
19050 |
246.4 |
-0.2 |
0.593 |
1 |
0 |
0 |
0.000 |
| 10 |
15 |
|
L |
26 |
10 |
11527 |
◊ |
C |
x-1/2,-y+3/2,-z+2 |
4_467 |
25 |
7 |
19026 |
215.2 |
-0.6 |
0.533 |
0 |
0 |
0 |
0.000 |
| 11 |
16 |
|
I |
20 |
4 |
540 |
◊ |
D |
x,y,z |
1_555 |
26 |
10 |
22538 |
183.8 |
-1.2 |
0.480 |
3 |
0 |
0 |
0.053 |
17 |
|
G |
19 |
4 |
531 |
◊ |
B |
x,y,z |
1_555 |
29 |
11 |
22373 |
179.0 |
-1.3 |
0.470 |
3 |
0 |
0 |
0.053 |
| Average: |
181.4 |
-1.3 |
0.475 |
3 |
0 |
0 |
0.053 |
| 12 |
18 |
|
L |
21 |
6 |
11527 |
◊ |
D |
x,y,z-1 |
1_554 |
23 |
6 |
22538 |
169.7 |
-0.6 |
0.532 |
1 |
0 |
0 |
0.002 |
19 |
|
B |
17 |
7 |
22373 |
◊ |
F |
x,y,z-1 |
1_554 |
17 |
5 |
11578 |
130.4 |
-0.4 |
0.584 |
0 |
0 |
0 |
0.002 |
| Average: |
150.0 |
-0.5 |
0.558 |
1 |
0 |
0 |
0.002 |
| 13 |
20 |
|
[NAG]B:2010 |
12 |
1 |
365 |
cf |
B |
x,y,z |
1_555 |
22 |
9 |
22373 |
145.2 |
4.1 |
0.463 |
1 |
0 |
0 |
0.000 |
| 14 |
21 |
|
[NAG]D:2009 |
11 |
1 |
357 |
cf |
D |
x,y,z |
1_555 |
19 |
8 |
22538 |
142.4 |
4.4 |
0.501 |
0 |
0 |
0 |
0.000 |
| 15 |
22 |
|
D |
12 |
5 |
22538 |
◊ |
F |
x-1/2,-y+3/2,-z+2 |
4_467 |
18 |
6 |
11578 |
138.1 |
1.6 |
0.687 |
1 |
0 |
0 |
0.000 |
| 16 |
23 |
|
D |
17 |
5 |
22538 |
◊ |
B |
x,y,z |
1_555 |
16 |
5 |
22373 |
133.1 |
-0.9 |
0.464 |
1 |
2 |
0 |
0.000 |
| 17 |
24 |
|
[NAG]D:2004 |
10 |
1 |
362 |
cf |
D |
x,y,z |
1_555 |
13 |
6 |
22538 |
109.7 |
3.6 |
0.402 |
0 |
0 |
0 |
0.000 |
| 18 |
25 |
|
[NAG]B:2004 |
8 |
1 |
357 |
cf |
B |
x,y,z |
1_555 |
13 |
5 |
22373 |
107.6 |
3.9 |
0.552 |
0 |
0 |
0 |
0.000 |
| 19 |
26 |
|
[NAG]D:2005 |
10 |
1 |
361 |
cf |
D |
x,y,z |
1_555 |
13 |
4 |
22538 |
102.2 |
3.1 |
0.399 |
0 |
0 |
0 |
0.000 |
| 20 |
27 |
|
[SO4]C:501 |
5 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
13 |
5 |
19026 |
100.7 |
-13.8 |
0.713 |
0 |
0 |
0 |
0.319 |
| 21 |
28 |
|
[NAG]B:2005 |
10 |
1 |
356 |
cf |
B |
x,y,z |
1_555 |
10 |
3 |
22373 |
97.7 |
2.4 |
0.309 |
1 |
0 |
0 |
0.000 |
| 22 |
29 |
|
H |
12 |
5 |
11849 |
◊ |
D |
-x,-y+1,z |
2_565 |
7 |
3 |
22538 |
80.8 |
1.6 |
0.880 |
0 |
0 |
0 |
0.000 |
| 23 |
30 |
|
[SO4]L:301 |
5 |
1 |
184 |
f |
L |
x,y,z |
1_555 |
8 |
5 |
11527 |
79.8 |
-12.0 |
0.516 |
1 |
0 |
0 |
0.256 |
| 24 |
31 |
|
[NAG]D:2010 |
9 |
1 |
362 |
cf |
[NAG]D:2009 |
x,y,z |
1_555 |
7 |
1 |
357 |
78.4 |
1.8 |
0.084 |
0 |
0 |
0 |
0.000 |
| 25 |
32 |
|
G |
7 |
3 |
531 |
◊ |
A |
x,y,z |
1_555 |
10 |
3 |
19050 |
74.2 |
-0.4 |
0.463 |
0 |
0 |
0 |
0.006 |
33 |
|
I |
6 |
2 |
540 |
◊ |
C |
x,y,z |
1_555 |
12 |
3 |
19026 |
74.1 |
-0.2 |
0.549 |
0 |
0 |
0 |
0.006 |
| Average: |
74.2 |
-0.3 |
0.506 |
0 |
0 |
0 |
0.006 |
| 26 |
34 |
|
H |
11 |
5 |
11849 |
◊ |
D |
x,y,z |
1_555 |
11 |
3 |
22538 |
74.1 |
-0.0 |
0.647 |
0 |
0 |
0 |
0.000 |
| 27 |
35 |
|
[NAG]B:2006 |
9 |
1 |
361 |
cf |
[NAG]B:2005 |
x,y,z |
1_555 |
6 |
1 |
356 |
72.8 |
1.5 |
0.085 |
0 |
0 |
0 |
0.000 |
| 28 |
36 |
|
[SO4]A:501 |
4 |
1 |
185 |
◊ |
C |
x,y,z-1 |
1_554 |
12 |
4 |
19026 |
70.4 |
-9.8 |
0.747 |
0 |
0 |
0 |
0.158 |
| 29 |
37 |
|
[NAG]B:2011 |
7 |
1 |
361 |
cf |
[NAG]B:2010 |
x,y,z |
1_555 |
6 |
1 |
365 |
69.6 |
1.3 |
0.115 |
0 |
0 |
0 |
0.000 |
| 30 |
38 |
|
[NAG]D:2006 |
10 |
1 |
362 |
cf |
[NAG]D:2005 |
x,y,z |
1_555 |
6 |
1 |
361 |
68.7 |
1.5 |
0.079 |
0 |
0 |
0 |
0.000 |
| 31 |
39 |
|
[MN]D:2002 |
1 |
1 |
123 |
f |
D |
x,y,z |
1_555 |
13 |
5 |
22538 |
68.4 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.264 |
40 |
|
[MN]B:2002 |
1 |
1 |
123 |
f |
B |
x,y,z |
1_555 |
9 |
6 |
22373 |
63.3 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.264 |
| Average: |
65.9 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.264 |
| 32 |
41 |
|
[SO4]A:501 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
10 |
4 |
19050 |
66.9 |
-9.5 |
0.721 |
1 |
0 |
0 |
0.560 |
| 33 |
42 |
|
[NAG]B:2005 |
6 |
1 |
356 |
◊ |
A |
x,y,z |
1_555 |
10 |
3 |
19050 |
65.3 |
0.4 |
0.143 |
0 |
0 |
0 |
0.000 |
| 34 |
43 |
|
[NAG]D:2005 |
5 |
1 |
361 |
◊ |
C |
x,y,z |
1_555 |
12 |
4 |
19026 |
63.7 |
0.5 |
0.244 |
0 |
0 |
0 |
0.000 |
| 35 |
44 |
|
[BMA]B:2007 |
7 |
1 |
293 |
cf |
[NAG]B:2006 |
x,y,z |
1_555 |
6 |
1 |
361 |
62.9 |
1.4 |
0.112 |
0 |
0 |
0 |
0.000 |
45 |
|
[BMA]D:2007 |
7 |
1 |
292 |
cf |
[NAG]D:2006 |
x,y,z |
1_555 |
6 |
1 |
362 |
61.7 |
1.2 |
0.118 |
0 |
0 |
0 |
0.000 |
| Average: |
62.3 |
1.3 |
0.115 |
0 |
0 |
0 |
0.000 |
| 36 |
46 |
|
[MAN]D:2008 |
7 |
1 |
292 |
cf |
[BMA]D:2007 |
x,y,z |
1_555 |
5 |
1 |
292 |
62.8 |
2.7 |
0.234 |
0 |
0 |
0 |
0.000 |
| 37 |
47 |
|
[MAN]B:2008 |
6 |
1 |
289 |
cf |
[BMA]B:2007 |
x,y,z |
1_555 |
5 |
1 |
293 |
57.6 |
2.5 |
0.256 |
0 |
0 |
0 |
0.000 |
| 38 |
48 |
|
[CL]C:502 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
14 |
4 |
19026 |
54.6 |
-6.7 |
0.000 |
0 |
0 |
0 |
0.155 |
| 39 |
49 |
|
[MN]B:2001 |
1 |
1 |
123 |
f |
B |
x,y,z |
1_555 |
9 |
6 |
22373 |
51.5 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.267 |
50 |
|
[MN]D:2001 |
1 |
1 |
123 |
f |
D |
x,y,z |
1_555 |
10 |
7 |
22538 |
51.0 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.267 |
| Average: |
51.3 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.267 |
| 40 |
51 |
|
[MAN]B:2009 |
4 |
1 |
293 |
cf |
[BMA]B:2007 |
x,y,z |
1_555 |
3 |
1 |
293 |
50.9 |
2.6 |
0.446 |
0 |
0 |
0 |
0.000 |
| 41 |
52 |
|
[MAN]B:2009 |
6 |
1 |
293 |
f |
[NAG]B:2006 |
x,y,z |
1_555 |
7 |
1 |
361 |
49.1 |
1.6 |
0.116 |
0 |
0 |
0 |
0.000 |
| 42 |
53 |
|
A |
7 |
3 |
19050 |
◊ |
F |
x-1/2,-y+3/2,-z+1 |
4_466 |
9 |
3 |
11578 |
46.7 |
-0.4 |
0.548 |
0 |
0 |
0 |
0.000 |
| 43 |
54 |
|
[CA]C:505 |
1 |
1 |
85 |
f |
C |
x,y,z |
1_555 |
2 |
2 |
19026 |
42.7 |
-12.7 |
0.000 |
0 |
0 |
0 |
0.294 |
| 44 |
55 |
|
C |
5 |
3 |
19026 |
◊ |
B |
-x+1/2,y-1/2,-z+2 |
3_547 |
7 |
2 |
22373 |
40.3 |
0.4 |
0.709 |
0 |
0 |
0 |
0.000 |
| 45 |
56 |
|
H |
4 |
3 |
11849 |
◊ |
H |
-x,-y+1,z |
2_565 |
4 |
3 |
11849 |
39.7 |
1.4 |
0.936 |
0 |
0 |
0 |
0.000 |
| 46 |
57 |
|
[MAN]D:2008 |
2 |
1 |
292 |
◊ |
C |
x,y,z |
1_555 |
5 |
1 |
19026 |
38.7 |
1.0 |
0.630 |
0 |
0 |
0 |
0.000 |
| 47 |
58 |
|
[MAN]B:2008 |
2 |
1 |
289 |
◊ |
A |
x,y,z |
1_555 |
5 |
2 |
19050 |
36.5 |
0.9 |
0.617 |
0 |
0 |
0 |
0.000 |
| 48 |
59 |
|
[NAG]D:2010 |
2 |
1 |
362 |
f |
[NAG]D:2004 |
x,y,z |
1_555 |
2 |
1 |
362 |
36.0 |
1.4 |
0.577 |
0 |
0 |
0 |
0.000 |
| 49 |
60 |
|
[MN]B:2001 |
1 |
1 |
123 |
◊ |
G |
x,y,z |
1_555 |
6 |
2 |
531 |
31.9 |
-1.3 |
0.000 |
0 |
0 |
0 |
0.028 |
61 |
|
[MN]D:2001 |
1 |
1 |
123 |
◊ |
I |
x,y,z |
1_555 |
7 |
2 |
540 |
31.2 |
-1.4 |
0.000 |
0 |
0 |
0 |
0.028 |
| Average: |
31.6 |
-1.4 |
0.000 |
0 |
0 |
0 |
0.028 |
| 50 |
62 |
|
[NAG]D:2009 |
4 |
1 |
357 |
f |
[NAG]D:2004 |
x,y,z |
1_555 |
3 |
1 |
362 |
28.5 |
0.6 |
0.198 |
0 |
0 |
0 |
0.000 |
| 51 |
63 |
|
[SO4]C:501 |
3 |
1 |
185 |
◊ |
D |
x,y,z |
1_555 |
3 |
2 |
22538 |
26.3 |
-3.8 |
0.461 |
0 |
0 |
0 |
0.087 |
| 52 |
64 |
|
A |
5 |
2 |
19050 |
◊ |
[CL]C:502 |
x,y,z-1 |
1_554 |
1 |
1 |
125 |
23.6 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.041 |
| 53 |
65 |
|
[MAN]D:2008 |
4 |
1 |
292 |
f |
[NAG]D:2006 |
x,y,z |
1_555 |
2 |
1 |
362 |
23.1 |
0.3 |
0.148 |
0 |
0 |
0 |
0.000 |
| 54 |
66 |
|
[NAG]B:2006 |
2 |
1 |
361 |
◊ |
A |
x,y,z |
1_555 |
4 |
2 |
19050 |
22.8 |
0.9 |
0.691 |
0 |
0 |
0 |
0.000 |
| 55 |
67 |
|
[MN]D:2002 |
1 |
1 |
123 |
◊ |
I |
x,y,z |
1_555 |
1 |
1 |
540 |
20.3 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.014 |
68 |
|
[MN]B:2002 |
1 |
1 |
123 |
◊ |
G |
x,y,z |
1_555 |
3 |
1 |
531 |
12.6 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.014 |
| Average: |
16.5 |
-0.7 |
0.000 |
0 |
0 |
0 |
0.014 |
| 56 |
69 |
|
[NAG]D:2006 |
1 |
1 |
362 |
◊ |
C |
x,y,z |
1_555 |
3 |
1 |
19026 |
13.8 |
0.6 |
0.770 |
0 |
0 |
0 |
0.000 |
| 57 |
70 |
|
G |
2 |
2 |
531 |
◊ |
D |
x,y,z |
1_555 |
1 |
1 |
22538 |
12.2 |
-0.1 |
0.589 |
0 |
0 |
0 |
0.000 |
| 58 |
71 |
|
E |
2 |
1 |
11883 |
◊ |
B |
x,y,z |
1_555 |
4 |
1 |
22373 |
12.0 |
-0.2 |
0.535 |
0 |
0 |
0 |
0.000 |
| 59 |
72 |
|
[MN]D:2003 |
1 |
1 |
123 |
f |
I |
x,y,z |
1_555 |
2 |
1 |
540 |
8.1 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.100 |
73 |
|
[MN]B:2003 |
1 |
1 |
123 |
f |
G |
x,y,z |
1_555 |
2 |
1 |
531 |
5.2 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.100 |
| Average: |
6.6 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.100 |
| 60 |
74 |
|
L |
1 |
1 |
11527 |
◊ |
B |
x-1/2,-y+3/2,-z+1 |
4_466 |
2 |
1 |
22373 |
6.9 |
0.1 |
0.483 |
0 |
0 |
0 |
0.000 |
| 61 |
75 |
|
[NAG]B:2011 |
2 |
1 |
361 |
f |
[NAG]B:2004 |
x,y,z |
1_555 |
2 |
1 |
357 |
6.4 |
0.3 |
0.199 |
0 |
0 |
0 |
0.000 |
| 62 |
76 |
|
[MAN]B:2008 |
3 |
1 |
289 |
f |
[NAG]B:2006 |
x,y,z |
1_555 |
1 |
1 |
361 |
5.4 |
0.0 |
0.163 |
0 |
0 |
0 |
0.000 |
| 63 |
77 |
|
[MN]B:2003 |
1 |
1 |
123 |
◊ |
[MN]B:2001 |
x,y,z |
1_555 |
1 |
1 |
123 |
3.2 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.003 |
| 64 |
78 |
|
[MN]D:2003 |
1 |
1 |
123 |
◊ |
[MN]D:2001 |
x,y,z |
1_555 |
1 |
1 |
123 |
2.7 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.003 |
| 65 |
79 |
|
[NAG]B:2010 |
1 |
1 |
365 |
f |
[NAG]B:2004 |
x,y,z |
1_555 |
1 |
1 |
357 |
0.7 |
0.0 |
0.143 |
0 |
0 |
0 |
0.000 |
|