## |
Structure 1 |
× |
Structure 2 |
interface area, Å2 |
ΔiG kcal/mol |
ΔiG P-value |
NHB |
NSB |
NDS |
CSS |
NN |
«» |
Range |
iNat |
iNres |
Surface Å2 |
Range |
Symmetry op-n |
Sym.ID |
iNat |
iNres |
Surface Å2 |
1 |
|
B |
119 |
31 |
5856 |
◊ |
A |
x,y,z |
1_555 |
113 |
33 |
6034 |
1170.4 |
-28.8 |
0.060 |
2 |
2 |
0 |
1.000 |
2 |
|
D |
82 |
23 |
6102 |
◊ |
C |
x,y,z |
1_555 |
93 |
22 |
6575 |
891.7 |
-22.8 |
0.068 |
2 |
0 |
0 |
0.886 |
3 |
|
C |
66 |
21 |
6575 |
◊ |
B |
y,x,-z+1 |
15_445 |
64 |
20 |
5856 |
714.9 |
-14.3 |
0.201 |
1 |
0 |
0 |
0.897 |
4 |
|
C |
78 |
25 |
6575 |
◊ |
C |
y,x,-z+1 |
15_445 |
79 |
25 |
6575 |
662.5 |
-6.0 |
0.831 |
2 |
2 |
0 |
0.086 |
5 |
|
D |
58 |
20 |
6102 |
◊ |
B |
y,x,-z+1 |
15_445 |
56 |
19 |
5856 |
640.1 |
-11.9 |
0.238 |
0 |
1 |
0 |
0.258 |
6 |
|
D |
45 |
10 |
6102 |
◊ |
D |
-y+1,-x+1,-z+1 |
8_666 |
45 |
10 |
6102 |
442.6 |
-6.8 |
0.468 |
3 |
6 |
0 |
0.108 |
7 |
|
C |
38 |
13 |
6575 |
◊ |
C |
-y+1,-x+1,-z+1 |
8_666 |
38 |
13 |
6575 |
430.5 |
-8.9 |
0.300 |
0 |
0 |
0 |
0.106 |
8 |
|
C |
39 |
8 |
6575 |
◊ |
A |
y,x,-z+1 |
15_445 |
46 |
12 |
6034 |
403.7 |
-4.5 |
0.614 |
1 |
1 |
0 |
0.061 |
9 |
|
D |
29 |
10 |
6102 |
◊ |
A |
y,x,-z+1 |
15_445 |
31 |
11 |
6034 |
349.8 |
-7.0 |
0.211 |
1 |
1 |
0 |
0.092 |
10 |
|
C |
31 |
8 |
6575 |
◊ |
B |
-y+1/2,x,z-1/4 |
11_544 |
42 |
8 |
5856 |
321.1 |
0.2 |
0.858 |
0 |
5 |
0 |
0.000 |
11 |
|
D |
30 |
9 |
6102 |
◊ |
C |
y,x,-z+1 |
15_445 |
24 |
6 |
6575 |
257.2 |
-2.5 |
0.682 |
1 |
0 |
0 |
0.070 |
12 |
|
D |
23 |
6 |
6102 |
◊ |
A |
x-1/2,-y+1,-z+3/4 |
14_455 |
30 |
6 |
6034 |
211.5 |
-1.5 |
0.729 |
1 |
1 |
0 |
0.000 |
13 |
|
B |
19 |
5 |
5856 |
◊ |
A |
-x+1,-y+1,z |
10_554 |
15 |
4 |
6034 |
166.3 |
-2.5 |
0.505 |
0 |
0 |
0 |
0.025 |
14 |
|
D |
19 |
5 |
6102 |
◊ |
B |
-y+1/2,x,z-1/4 |
11_544 |
17 |
5 |
5856 |
136.6 |
-1.8 |
0.619 |
0 |
0 |
0 |
0.000 |
15 |
|
A |
10 |
4 |
6034 |
x |
A |
-y+1,x-1/2,z+1/4 |
3_645 |
17 |
5 |
6034 |
135.8 |
-2.0 |
0.564 |
1 |
0 |
0 |
0.000 |
16 |
|
B |
15 |
4 |
5856 |
◊ |
B |
-x+1,-y+1,z |
10_554 |
15 |
4 |
5856 |
131.7 |
-2.1 |
0.557 |
0 |
0 |
0 |
0.017 |
17 |
|
C |
12 |
3 |
6575 |
◊ |
A |
-x+1,-y+1,z |
10_554 |
15 |
5 |
6034 |
130.1 |
0.4 |
0.843 |
0 |
0 |
0 |
0.000 |
18 |
|
[IPA]A:101 |
4 |
1 |
198 |
◊ |
A |
x,y,z |
1_555 |
20 |
7 |
6034 |
118.8 |
3.5 |
0.522 |
0 |
0 |
0 |
0.000 |
19 |
|
B |
12 |
3 |
5856 |
◊ |
A |
-y+1,x-1/2,z+1/4 |
3_645 |
10 |
4 |
6034 |
105.4 |
2.3 |
0.935 |
0 |
1 |
0 |
0.000 |
20 |
|
D |
11 |
4 |
6102 |
◊ |
D |
-x+1/2,y,-z+3/4 |
5_555 |
11 |
4 |
6102 |
99.2 |
0.2 |
0.787 |
0 |
0 |
0 |
0.000 |
21 |
|
C |
9 |
3 |
6575 |
◊ |
A |
-y+1/2,x,z-1/4 |
11_544 |
12 |
4 |
6034 |
94.5 |
0.2 |
0.783 |
0 |
0 |
0 |
0.000 |
22 |
|
[IPA]B:102 |
4 |
1 |
198 |
◊ |
A |
x,y,z |
1_555 |
15 |
7 |
6034 |
91.3 |
2.1 |
0.266 |
0 |
0 |
0 |
0.000 |
23 |
|
[IPA]C:102 |
4 |
1 |
198 |
f |
C |
x,y,z |
1_555 |
16 |
4 |
6575 |
88.2 |
3.0 |
0.540 |
0 |
0 |
0 |
0.000 |
24 |
|
C |
10 |
4 |
6575 |
◊ |
C |
-x+1,-y+1,z |
10_554 |
10 |
4 |
6575 |
82.4 |
-0.3 |
0.727 |
0 |
0 |
0 |
0.003 |
25 |
|
[IPA]D:102 |
4 |
1 |
199 |
◊ |
D |
x,y,z |
1_555 |
10 |
3 |
6102 |
80.3 |
3.1 |
0.331 |
0 |
0 |
0 |
0.000 |
26 |
|
[IPA]B:101 |
4 |
1 |
198 |
◊ |
D |
y,x,-z+1 |
15_445 |
11 |
6 |
6102 |
71.5 |
1.2 |
0.221 |
0 |
0 |
0 |
0.000 |
27 |
|
D |
7 |
5 |
6102 |
◊ |
C |
-y+1,-x+1,-z+1 |
8_666 |
8 |
5 |
6575 |
69.1 |
-1.0 |
0.498 |
0 |
0 |
0 |
0.024 |
28 |
|
[IPA]C:103 |
4 |
1 |
199 |
◊ |
C |
x,y,z |
1_555 |
11 |
4 |
6575 |
68.3 |
2.1 |
0.296 |
0 |
0 |
0 |
0.000 |
29 |
|
[IPA]B:102 |
3 |
1 |
198 |
◊ |
B |
x,y,z |
1_555 |
9 |
4 |
5856 |
66.8 |
2.3 |
0.302 |
0 |
0 |
0 |
0.000 |
30 |
|
[IPA]D:101 |
4 |
1 |
198 |
◊ |
D |
x,y,z |
1_555 |
8 |
3 |
6102 |
66.5 |
1.1 |
0.173 |
0 |
0 |
0 |
0.000 |
31 |
|
[SO4]C:101 |
5 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
8 |
3 |
6575 |
64.9 |
-7.9 |
0.966 |
3 |
0 |
0 |
0.561 |
32 |
|
[IPA]B:101 |
3 |
1 |
198 |
◊ |
B |
x,y,z |
1_555 |
12 |
4 |
5856 |
61.5 |
0.9 |
0.265 |
0 |
0 |
0 |
0.000 |
33 |
|
[IPA]B:101 |
4 |
1 |
198 |
◊ |
A |
x,y,z |
1_555 |
8 |
4 |
6034 |
55.6 |
0.6 |
0.150 |
0 |
0 |
0 |
0.000 |
34 |
|
[IPA]D:101 |
3 |
1 |
198 |
◊ |
C |
x,y,z |
1_555 |
11 |
2 |
6575 |
52.6 |
1.3 |
0.279 |
0 |
0 |
0 |
0.000 |
35 |
|
[IPA]C:102 |
3 |
1 |
198 |
◊ |
C |
y,x,-z+1 |
15_445 |
5 |
2 |
6575 |
49.8 |
1.7 |
0.304 |
0 |
0 |
0 |
0.000 |
36 |
|
[IPA]D:101 |
2 |
1 |
198 |
◊ |
D |
-y+1,-x+1,-z+1 |
8_666 |
8 |
3 |
6102 |
47.4 |
1.1 |
0.568 |
0 |
0 |
0 |
0.000 |
37 |
|
[SO4]C:101 |
4 |
1 |
185 |
◊ |
D |
y,x,-z+1 |
15_445 |
5 |
2 |
6102 |
41.5 |
-4.9 |
0.903 |
0 |
0 |
0 |
0.117 |
38 |
|
[IPA]C:102 |
3 |
1 |
198 |
◊ |
D |
y,x,-z+1 |
15_445 |
7 |
2 |
6102 |
39.9 |
0.3 |
0.667 |
0 |
0 |
0 |
0.000 |
39 |
|
[IPA]D:102 |
4 |
1 |
199 |
◊ |
A |
x-1/2,-y+1,-z+3/4 |
14_455 |
4 |
1 |
6034 |
36.4 |
0.8 |
0.814 |
0 |
0 |
0 |
0.000 |
40 |
|
C |
7 |
3 |
6575 |
◊ |
B |
x,y,z |
1_555 |
6 |
4 |
5856 |
33.2 |
0.4 |
0.775 |
0 |
0 |
0 |
0.000 |
41 |
|
[IPA]C:103 |
1 |
1 |
199 |
◊ |
B |
y,x,-z+1 |
15_445 |
5 |
1 |
5856 |
32.6 |
1.3 |
0.623 |
0 |
0 |
0 |
0.000 |
42 |
|
D |
3 |
1 |
6102 |
◊ |
C |
-x+1/2,y,-z+3/4 |
5_555 |
5 |
2 |
6575 |
29.8 |
-0.4 |
0.453 |
0 |
0 |
0 |
0.000 |
43 |
|
[IPA]C:103 |
3 |
1 |
199 |
f |
C |
-y+1,-x+1,-z+1 |
8_666 |
2 |
1 |
6575 |
27.4 |
0.6 |
0.656 |
0 |
0 |
0 |
0.000 |
44 |
|
D |
2 |
1 |
6102 |
◊ |
B |
x-1/2,-y+1,-z+3/4 |
14_455 |
4 |
2 |
5856 |
22.9 |
0.2 |
0.768 |
0 |
0 |
0 |
0.000 |
45 |
|
[IPA]A:101 |
3 |
1 |
198 |
f |
B |
x,y,z |
1_555 |
2 |
1 |
5856 |
15.5 |
0.2 |
0.616 |
0 |
0 |
0 |
0.000 |
46 |
|
C |
3 |
1 |
6575 |
◊ |
B |
-x+1,-y+1,z |
10_554 |
2 |
1 |
5856 |
15.4 |
-0.3 |
0.450 |
0 |
0 |
0 |
0.005 |
47 |
|
[IPA]D:102 |
3 |
1 |
199 |
f |
B |
y,x,-z+1 |
15_445 |
2 |
1 |
5856 |
14.3 |
0.3 |
0.677 |
0 |
0 |
0 |
0.000 |
48 |
|
D |
2 |
1 |
6102 |
◊ |
A |
-y+1/2,x,z-1/4 |
11_544 |
1 |
1 |
6034 |
9.8 |
-0.3 |
0.397 |
0 |
0 |
0 |
0.000 |
49 |
|
[IPA]B:102 |
1 |
1 |
198 |
f |
C |
y,x,-z+1 |
15_445 |
1 |
1 |
6575 |
6.4 |
0.1 |
0.581 |
0 |
0 |
0 |
0.000 |
50 |
|
[IPA]B:102 |
1 |
1 |
198 |
f |
[IPA]B:101 |
x,y,z |
1_555 |
1 |
1 |
198 |
5.9 |
0.3 |
1.000 |
0 |
0 |
0 |
0.000 |
51 |
|
[SO4]C:101 |
1 |
1 |
185 |
f |
[IPA]C:102 |
x,y,z |
1_555 |
1 |
1 |
198 |
1.3 |
-0.2 |
1.000 |
0 |
0 |
0 |
0.010 |
52 |
|
[IPA]D:101 |
1 |
1 |
198 |
f |
C |
-y+1,-x+1,-z+1 |
8_666 |
1 |
1 |
6575 |
0.3 |
0.0 |
0.812 |
0 |
0 |
0 |
0.000 |
|