## |
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 |
|
H |
181 |
52 |
11321 |
◊ |
L |
x,y,z |
1_555 |
195 |
55 |
11786 |
1680.8 |
-25.3 |
0.046 |
9 |
2 |
0 |
0.212 |
2 |
|
L |
55 |
16 |
11786 |
◊ |
H |
-y,x-y-1,z+1/3 |
2_545 |
51 |
16 |
11321 |
495.3 |
-4.6 |
0.377 |
8 |
0 |
0 |
0.071 |
3 |
|
H |
58 |
19 |
11321 |
◊ |
H |
x-y,-y,-z-1/3 |
5_554 |
58 |
19 |
11321 |
481.5 |
-5.0 |
0.443 |
5 |
0 |
0 |
0.047 |
4 |
|
[O2W]L:215 |
21 |
1 |
605 |
f |
H |
x,y,z |
1_555 |
36 |
9 |
11321 |
202.9 |
-3.9 |
0.571 |
1 |
0 |
0 |
0.056 |
5 |
|
L |
17 |
6 |
11786 |
◊ |
H |
y,x-1,-z-1 |
4_544 |
22 |
13 |
11321 |
159.0 |
0.9 |
0.712 |
1 |
0 |
0 |
0.000 |
6 |
|
H |
13 |
4 |
11321 |
◊ |
L |
x-y,-y,-z-1/3 |
5_554 |
20 |
6 |
11786 |
149.9 |
-1.0 |
0.503 |
1 |
0 |
0 |
0.008 |
7 |
|
[O2W]L:215 |
14 |
1 |
605 |
◊ |
L |
x,y,z |
1_555 |
17 |
4 |
11786 |
118.9 |
-2.7 |
0.386 |
0 |
0 |
0 |
0.019 |
8 |
|
[FLC]H:241 |
10 |
1 |
315 |
f |
H |
x,y,z |
1_555 |
14 |
6 |
11321 |
118.8 |
0.6 |
0.563 |
1 |
0 |
0 |
0.000 |
9 |
|
[FLC]H:243 |
10 |
1 |
317 |
◊ |
H |
x,y,z |
1_555 |
18 |
5 |
11321 |
116.0 |
1.3 |
0.652 |
4 |
0 |
0 |
0.004 |
10 |
|
L |
13 |
7 |
11786 |
x |
L |
-y,x-y-1,z+1/3 |
2_545 |
10 |
4 |
11786 |
96.0 |
-0.3 |
0.590 |
0 |
0 |
0 |
0.000 |
11 |
|
[TRS]H:236 |
7 |
1 |
255 |
f |
H |
x,y,z |
1_555 |
12 |
4 |
11321 |
93.8 |
1.8 |
0.814 |
3 |
0 |
0 |
0.000 |
12 |
|
[TRS]H:237 |
5 |
1 |
253 |
◊ |
L |
x,y,z |
1_555 |
13 |
4 |
11786 |
92.1 |
2.7 |
0.289 |
0 |
0 |
0 |
0.000 |
13 |
|
[SO4]H:245 |
5 |
1 |
185 |
f |
H |
x,y,z |
1_555 |
10 |
5 |
11321 |
85.8 |
-10.9 |
0.879 |
5 |
0 |
0 |
0.171 |
14 |
|
[SO4]L:221 |
5 |
1 |
186 |
f |
L |
x,y,z |
1_555 |
13 |
5 |
11786 |
85.1 |
-11.7 |
0.836 |
4 |
0 |
0 |
0.231 |
15 |
|
[TRS]L:216 |
6 |
1 |
254 |
f |
L |
x,y,z |
1_555 |
15 |
6 |
11786 |
84.9 |
2.9 |
0.927 |
2 |
0 |
0 |
0.000 |
16 |
|
[TRS]H:238 |
6 |
1 |
254 |
◊ |
H |
x,y,z |
1_555 |
14 |
5 |
11321 |
84.7 |
0.9 |
0.753 |
1 |
0 |
0 |
0.000 |
17 |
|
[TRS]H:239 |
6 |
1 |
255 |
f |
H |
x,y,z |
1_555 |
9 |
3 |
11321 |
83.3 |
1.3 |
0.871 |
2 |
0 |
0 |
0.000 |
18 |
|
[O2W]L:215 |
12 |
1 |
605 |
◊ |
L |
x-y,-y,-z-1/3 |
5_554 |
14 |
4 |
11786 |
82.5 |
-0.8 |
0.711 |
0 |
0 |
0 |
0.004 |
19 |
|
[FLC]H:242 |
8 |
1 |
315 |
◊ |
L |
x,y,z |
1_555 |
11 |
3 |
11786 |
82.2 |
0.3 |
0.444 |
0 |
0 |
0 |
0.000 |
20 |
|
[TRS]H:237 |
6 |
1 |
253 |
f |
H |
x,y,z |
1_555 |
9 |
4 |
11321 |
81.3 |
1.4 |
0.792 |
3 |
0 |
0 |
0.000 |
21 |
|
[TRS]L:219 |
5 |
1 |
255 |
f |
L |
x,y,z |
1_555 |
10 |
5 |
11786 |
81.2 |
1.3 |
0.687 |
0 |
0 |
0 |
0.000 |
22 |
|
[FLC]H:242 |
9 |
1 |
315 |
f |
H |
x,y,z |
1_555 |
12 |
4 |
11321 |
81.0 |
-0.0 |
0.465 |
4 |
0 |
0 |
0.024 |
23 |
|
[SO4]H:246 |
4 |
1 |
185 |
f |
H |
x,y,z |
1_555 |
12 |
7 |
11321 |
80.1 |
-10.6 |
0.894 |
2 |
0 |
0 |
0.150 |
24 |
|
[SO4]L:222 |
5 |
1 |
185 |
f |
L |
x,y,z |
1_555 |
11 |
5 |
11786 |
79.5 |
-10.1 |
0.909 |
4 |
0 |
0 |
0.204 |
25 |
|
[TRS]L:217 |
6 |
1 |
256 |
◊ |
L |
x,y,z |
1_555 |
11 |
4 |
11786 |
78.2 |
1.8 |
0.779 |
1 |
0 |
0 |
0.000 |
26 |
|
L |
5 |
2 |
11786 |
x |
L |
-y,x-y-1,z-2/3 |
2_544 |
8 |
3 |
11786 |
78.1 |
1.2 |
0.844 |
1 |
0 |
0 |
0.000 |
27 |
|
[SO4]L:225 |
5 |
1 |
185 |
f |
L |
x,y,z |
1_555 |
12 |
4 |
11786 |
76.4 |
-10.8 |
0.745 |
2 |
0 |
0 |
0.202 |
28 |
|
[O2W]L:215 |
6 |
1 |
605 |
◊ |
H |
x-y,-y,-z-1/3 |
5_554 |
13 |
3 |
11321 |
74.3 |
-0.2 |
0.766 |
1 |
0 |
0 |
0.008 |
29 |
|
[SO4]H:247 |
5 |
1 |
186 |
f |
H |
x,y,z |
1_555 |
9 |
3 |
11321 |
70.4 |
-9.9 |
0.862 |
2 |
0 |
0 |
0.140 |
30 |
|
[TRS]H:240 |
5 |
1 |
256 |
f |
H |
x,y,z |
1_555 |
13 |
5 |
11321 |
69.6 |
0.8 |
0.714 |
0 |
0 |
0 |
0.000 |
31 |
|
[SO4]L:223 |
5 |
1 |
185 |
f |
L |
x,y,z |
1_555 |
9 |
4 |
11786 |
67.8 |
-9.9 |
0.629 |
4 |
0 |
0 |
0.201 |
32 |
|
[TRS]L:218 |
5 |
1 |
255 |
f |
L |
x,y,z |
1_555 |
10 |
4 |
11786 |
66.3 |
1.0 |
0.649 |
0 |
0 |
0 |
0.000 |
33 |
|
[SO4]L:220 |
5 |
1 |
185 |
f |
H |
y,x-1,-z-1 |
4_544 |
11 |
3 |
11321 |
63.7 |
-9.3 |
0.764 |
1 |
0 |
0 |
0.127 |
34 |
|
L |
5 |
4 |
11786 |
◊ |
[SO4]L:222 |
-y,x-y-1,z-2/3 |
2_544 |
4 |
1 |
185 |
61.2 |
-6.3 |
0.953 |
1 |
0 |
0 |
0.000 |
35 |
|
L |
13 |
8 |
11786 |
◊ |
[SO4]H:245 |
-y,x-y-1,z+1/3 |
2_545 |
4 |
1 |
185 |
59.9 |
-7.9 |
0.816 |
2 |
0 |
0 |
0.076 |
36 |
|
[SO4]H:244 |
5 |
1 |
184 |
◊ |
H |
x-y,-y,-z-1/3 |
5_554 |
12 |
6 |
11321 |
59.1 |
-7.4 |
0.788 |
3 |
0 |
0 |
0.114 |
37 |
|
[SO4]H:244 |
5 |
1 |
184 |
◊ |
H |
x,y,z |
1_555 |
11 |
5 |
11321 |
59.1 |
-7.7 |
0.784 |
2 |
0 |
0 |
0.112 |
38 |
|
[SO4]L:220 |
4 |
1 |
185 |
◊ |
L |
x,y,z |
1_555 |
9 |
4 |
11786 |
59.0 |
-6.8 |
0.890 |
1 |
0 |
0 |
0.006 |
39 |
|
[SO4]H:244 |
5 |
1 |
184 |
f |
[SO4]H:244 |
x-y,-y,-z-1/3 |
5_554 |
5 |
1 |
184 |
54.4 |
-11.2 |
0.993 |
0 |
0 |
0 |
0.100 |
40 |
|
[O2W]L:215 |
8 |
1 |
605 |
◊ |
[O2W]L:215 |
x-y,-y,-z-1/3 |
5_554 |
8 |
1 |
605 |
49.7 |
-0.4 |
0.873 |
0 |
0 |
0 |
0.002 |
41 |
|
L |
6 |
2 |
11786 |
◊ |
[TRS]L:216 |
-y,x-y-1,z-2/3 |
2_544 |
4 |
1 |
254 |
47.0 |
1.1 |
0.786 |
0 |
0 |
0 |
0.000 |
42 |
|
[SO4]L:224 |
4 |
1 |
185 |
f |
L |
x-y,-y,-z-1/3 |
5_554 |
8 |
3 |
11786 |
46.3 |
-5.6 |
0.702 |
1 |
0 |
0 |
0.104 |
43 |
|
L |
6 |
2 |
11786 |
◊ |
[TRS]H:237 |
-y,x-y-1,z+1/3 |
2_545 |
3 |
1 |
253 |
45.1 |
0.6 |
0.656 |
0 |
0 |
0 |
0.000 |
44 |
|
L |
4 |
2 |
11786 |
◊ |
[TRS]H:239 |
-y,x-y-1,z+1/3 |
2_545 |
4 |
1 |
255 |
39.2 |
1.0 |
0.799 |
0 |
0 |
0 |
0.000 |
45 |
|
[SO4]L:224 |
3 |
1 |
185 |
◊ |
L |
x,y,z |
1_555 |
6 |
4 |
11786 |
38.4 |
-3.8 |
0.927 |
1 |
0 |
0 |
0.072 |
46 |
|
[SO4]L:224 |
4 |
1 |
185 |
◊ |
[O2W]L:215 |
x,y,z |
1_555 |
8 |
1 |
605 |
37.9 |
-4.6 |
0.916 |
0 |
0 |
0 |
0.025 |
47 |
|
H |
4 |
2 |
11321 |
◊ |
H |
-x,-x+y,-z-2/3 |
6_554 |
4 |
2 |
11321 |
34.5 |
-1.0 |
0.275 |
0 |
0 |
0 |
0.000 |
48 |
|
[SO4]L:223 |
3 |
1 |
185 |
◊ |
L |
-y,x-y-1,z+1/3 |
2_545 |
6 |
2 |
11786 |
34.2 |
-4.6 |
0.664 |
0 |
0 |
0 |
0.000 |
49 |
|
[TRS]L:218 |
4 |
1 |
255 |
f |
[TRS]L:216 |
x,y,z |
1_555 |
2 |
1 |
254 |
30.5 |
1.0 |
1.000 |
2 |
0 |
0 |
0.000 |
50 |
|
[SO4]L:220 |
3 |
1 |
185 |
◊ |
[FLC]H:243 |
y,x-1,-z-1 |
4_544 |
4 |
1 |
317 |
30.2 |
-3.2 |
0.689 |
0 |
0 |
0 |
0.023 |
51 |
|
[SO4]L:225 |
4 |
1 |
185 |
◊ |
H |
x,y,z |
1_555 |
4 |
2 |
11321 |
29.0 |
-3.7 |
0.577 |
0 |
0 |
0 |
0.027 |
52 |
|
[SO4]L:224 |
4 |
1 |
185 |
◊ |
H |
x,y,z |
1_555 |
3 |
1 |
11321 |
27.5 |
-2.5 |
0.973 |
1 |
0 |
0 |
0.016 |
53 |
|
[SO4]L:224 |
2 |
1 |
185 |
◊ |
[SO4]L:224 |
x-y,-y,-z-1/3 |
5_554 |
2 |
1 |
185 |
20.6 |
-4.9 |
0.960 |
0 |
0 |
0 |
0.042 |
54 |
|
[SO4]L:224 |
2 |
1 |
185 |
◊ |
H |
x-y,-y,-z-1/3 |
5_554 |
1 |
1 |
11321 |
14.8 |
-1.5 |
0.945 |
0 |
0 |
0 |
0.011 |
55 |
|
[SO4]L:222 |
3 |
1 |
185 |
f |
[TRS]L:216 |
x,y,z |
1_555 |
2 |
1 |
254 |
11.8 |
-1.2 |
0.996 |
0 |
0 |
0 |
0.021 |
56 |
|
[FLC]H:243 |
1 |
1 |
317 |
f |
L |
x,y,z |
1_555 |
2 |
1 |
11786 |
11.7 |
-0.1 |
0.371 |
0 |
0 |
0 |
0.000 |
57 |
|
[FLC]H:243 |
3 |
1 |
317 |
◊ |
[O2W]L:215 |
x,y,z |
1_555 |
2 |
1 |
605 |
9.8 |
0.1 |
0.551 |
0 |
0 |
0 |
0.000 |
58 |
|
[SO4]H:247 |
1 |
1 |
186 |
◊ |
L |
x,y,z |
1_555 |
1 |
1 |
11786 |
7.0 |
-0.8 |
0.794 |
0 |
0 |
0 |
0.005 |
59 |
|
[FLC]H:243 |
1 |
1 |
317 |
◊ |
L |
x-y,-y,-z-1/3 |
5_554 |
2 |
2 |
11786 |
4.6 |
0.0 |
0.485 |
0 |
0 |
0 |
0.000 |
60 |
|
L |
1 |
1 |
11786 |
f |
[TRS]L:217 |
-y,x-y-1,z-2/3 |
2_544 |
1 |
1 |
256 |
2.4 |
0.0 |
0.653 |
0 |
0 |
0 |
0.000 |
61 |
|
L |
1 |
1 |
11786 |
◊ |
L |
x-y,-y,-z-1/3 |
5_554 |
1 |
1 |
11786 |
1.5 |
-0.0 |
0.458 |
0 |
0 |
0 |
0.000 |
62 |
|
L |
1 |
1 |
11786 |
f |
[TRS]H:238 |
-y,x-y-1,z+1/3 |
2_545 |
1 |
1 |
254 |
1.1 |
0.0 |
0.703 |
0 |
0 |
0 |
0.000 |
63 |
|
L |
1 |
1 |
11786 |
◊ |
[FLC]H:243 |
y,x-1,-z-1 |
4_544 |
1 |
1 |
317 |
0.4 |
-0.0 |
0.490 |
0 |
0 |
0 |
0.000 |
|