## |
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 |
1008 |
261 |
54365 |
◊ |
A |
x,y,z |
1_555 |
998 |
264 |
75797 |
9858.8 |
-97.2 |
0.006 |
134 |
28 |
0 |
0.392 |
2 |
|
I |
269 |
66 |
10871 |
◊ |
A |
x,y,z |
1_555 |
316 |
96 |
75797 |
2810.3 |
-20.3 |
0.512 |
31 |
6 |
0 |
0.116 |
3 |
|
E |
266 |
61 |
13326 |
◊ |
A |
x,y,z |
1_555 |
308 |
83 |
75797 |
2736.4 |
-8.1 |
0.685 |
36 |
21 |
0 |
0.187 |
4 |
|
N |
231 |
58 |
13780 |
◊ |
M |
x,y,z |
1_555 |
253 |
62 |
9059 |
2382.1 |
-33.7 |
0.105 |
27 |
0 |
0 |
0.993 |
5 |
|
K |
208 |
47 |
7453 |
◊ |
C |
x,y,z |
1_555 |
204 |
46 |
18142 |
2090.8 |
-40.9 |
0.002 |
12 |
8 |
0 |
0.807 |
6 |
|
F |
207 |
49 |
7595 |
◊ |
A |
x,y,z |
1_555 |
223 |
58 |
75797 |
2085.0 |
-17.8 |
0.306 |
22 |
9 |
0 |
0.181 |
7 |
|
J |
179 |
40 |
5644 |
◊ |
B |
x,y,z |
1_555 |
218 |
64 |
54365 |
1986.1 |
-20.2 |
0.142 |
22 |
2 |
0 |
0.507 |
8 |
|
G |
188 |
41 |
19846 |
◊ |
A |
-x,y,-z+1 |
2_556 |
213 |
63 |
75797 |
1978.1 |
-15.5 |
0.346 |
20 |
5 |
0 |
0.173 |
9 |
|
G |
204 |
52 |
19846 |
◊ |
D |
x,y,z |
1_555 |
163 |
39 |
5875 |
1781.3 |
-24.9 |
0.131 |
18 |
2 |
0 |
0.145 |
10 |
|
N |
155 |
40 |
13780 |
◊ |
B |
x,y,z |
1_555 |
192 |
56 |
54365 |
1585.4 |
-19.0 |
0.237 |
12 |
1 |
0 |
0.819 |
11 |
|
H |
162 |
41 |
8760 |
◊ |
A |
x,y,z |
1_555 |
145 |
40 |
75797 |
1547.0 |
-17.8 |
0.091 |
20 |
6 |
0 |
0.189 |
12 |
|
C |
155 |
45 |
18142 |
◊ |
B |
x,y,z |
1_555 |
153 |
45 |
54365 |
1417.0 |
0.3 |
0.746 |
26 |
14 |
0 |
0.269 |
13 |
|
L |
113 |
26 |
4615 |
◊ |
B |
x,y,z |
1_555 |
144 |
42 |
54365 |
1226.4 |
-4.1 |
0.511 |
17 |
6 |
0 |
0.192 |
14 |
|
J |
109 |
30 |
5644 |
◊ |
C |
x,y,z |
1_555 |
126 |
39 |
18142 |
1161.7 |
-3.6 |
0.569 |
17 |
12 |
0 |
1.000 |
15 |
|
G |
130 |
33 |
19846 |
◊ |
A |
x,y,z |
1_555 |
104 |
25 |
75797 |
1112.0 |
-17.4 |
0.047 |
10 |
1 |
0 |
0.151 |
16 |
|
I |
109 |
33 |
10871 |
◊ |
B |
x,y,z |
1_555 |
112 |
33 |
54365 |
1067.9 |
-0.7 |
0.698 |
18 |
8 |
0 |
0.076 |
17 |
|
M |
104 |
31 |
9059 |
◊ |
B |
x,y,z |
1_555 |
114 |
32 |
54365 |
1010.7 |
-2.8 |
0.538 |
13 |
1 |
0 |
0.077 |
18 |
|
K |
110 |
32 |
7453 |
◊ |
A |
x,y,z |
1_555 |
104 |
25 |
75797 |
1001.4 |
0.9 |
0.890 |
18 |
5 |
0 |
0.014 |
19 |
|
G |
100 |
26 |
19846 |
◊ |
B |
x,y,z |
1_555 |
94 |
31 |
54365 |
886.6 |
-6.9 |
0.333 |
9 |
4 |
0 |
0.175 |
20 |
|
G |
88 |
24 |
19846 |
◊ |
F |
x,y,z |
1_555 |
85 |
25 |
7595 |
830.9 |
-10.1 |
0.185 |
4 |
2 |
0 |
0.187 |
21 |
|
G |
86 |
26 |
19846 |
◊ |
B |
-x,y,-z+1 |
2_556 |
87 |
26 |
54365 |
763.6 |
-7.2 |
0.351 |
9 |
5 |
0 |
0.182 |
22 |
|
L |
73 |
14 |
4615 |
◊ |
C |
x,y,z |
1_555 |
89 |
23 |
18142 |
720.0 |
-2.4 |
0.499 |
14 |
11 |
0 |
0.142 |
23 |
|
N |
41 |
10 |
13780 |
◊ |
C |
x,y,z |
1_555 |
57 |
18 |
18142 |
448.9 |
-3.9 |
0.436 |
5 |
1 |
0 |
0.127 |
24 |
|
M |
50 |
15 |
9059 |
◊ |
I |
x,y,z |
1_555 |
43 |
12 |
10871 |
435.5 |
-4.7 |
0.363 |
4 |
0 |
0 |
0.050 |
25 |
|
K |
30 |
9 |
7453 |
◊ |
A |
x,y-1,z |
1_545 |
36 |
15 |
75797 |
341.3 |
-2.3 |
0.511 |
3 |
0 |
0 |
0.000 |
26 |
|
D |
29 |
8 |
5875 |
◊ |
A |
x,y,z |
1_555 |
36 |
13 |
75797 |
302.2 |
-4.0 |
0.308 |
1 |
0 |
0 |
0.019 |
27 |
|
C |
42 |
12 |
18142 |
◊ |
A |
x,y-1,z |
1_545 |
25 |
9 |
75797 |
267.6 |
-2.0 |
0.242 |
2 |
1 |
0 |
0.000 |
28 |
|
H |
26 |
9 |
8760 |
◊ |
I |
-x-1/2,y-1/2,-z+1 |
4_446 |
28 |
6 |
10871 |
249.8 |
2.3 |
0.857 |
2 |
0 |
0 |
0.000 |
29 |
|
K |
28 |
8 |
7453 |
◊ |
B |
x,y,z |
1_555 |
23 |
9 |
54365 |
243.1 |
1.2 |
0.814 |
4 |
1 |
0 |
0.001 |
30 |
|
A |
31 |
12 |
75797 |
x |
A |
-x-1/2,y-1/2,-z+1 |
4_446 |
26 |
11 |
75797 |
234.6 |
0.8 |
0.755 |
1 |
1 |
0 |
0.000 |
31 |
|
B |
27 |
8 |
54365 |
◊ |
A |
x,y,z-1 |
1_554 |
29 |
8 |
75797 |
228.0 |
0.3 |
0.703 |
6 |
0 |
0 |
0.000 |
32 |
|
F |
23 |
5 |
7595 |
◊ |
D |
x,y,z |
1_555 |
27 |
6 |
5875 |
219.2 |
-2.3 |
0.461 |
2 |
0 |
0 |
0.014 |
33 |
|
A |
29 |
8 |
75797 |
◊ |
E |
-x-1/2,y-1/2,-z+1 |
4_446 |
19 |
5 |
13326 |
216.8 |
-3.3 |
0.214 |
0 |
2 |
0 |
0.000 |
34 |
|
L |
17 |
8 |
4615 |
◊ |
J |
x,y,z |
1_555 |
23 |
6 |
5644 |
185.6 |
-2.4 |
0.366 |
2 |
0 |
0 |
0.028 |
35 |
|
B |
19 |
7 |
54365 |
◊ |
E |
x,y,z-1 |
1_554 |
18 |
6 |
13326 |
157.2 |
-0.0 |
0.596 |
3 |
0 |
0 |
0.000 |
36 |
|
F |
19 |
5 |
7595 |
◊ |
E |
x,y,z |
1_555 |
10 |
3 |
13326 |
145.5 |
0.0 |
0.602 |
1 |
1 |
0 |
0.004 |
37 |
|
B |
23 |
10 |
54365 |
◊ |
A |
-x,y,-z+1 |
2_556 |
14 |
4 |
75797 |
143.7 |
-0.6 |
0.568 |
0 |
0 |
0 |
0.001 |
38 |
|
N |
21 |
8 |
13780 |
◊ |
J |
x,y,z |
1_555 |
18 |
6 |
5644 |
139.1 |
2.0 |
0.856 |
3 |
1 |
0 |
0.000 |
39 |
|
D |
10 |
4 |
5875 |
◊ |
B |
x,y,z |
1_555 |
16 |
6 |
54365 |
137.0 |
-1.4 |
0.276 |
1 |
0 |
0 |
0.003 |
40 |
|
A |
12 |
6 |
75797 |
◊ |
A |
-x,y,-z+1 |
2_556 |
12 |
6 |
75797 |
131.5 |
-3.6 |
0.075 |
0 |
0 |
0 |
0.013 |
41 |
|
[MPD]G:1317 |
7 |
1 |
278 |
f |
G |
x,y,z |
1_555 |
20 |
6 |
19846 |
124.9 |
-8.4 |
0.657 |
2 |
0 |
0 |
0.142 |
42 |
|
K |
16 |
5 |
7453 |
◊ |
H |
x,y,z |
1_555 |
13 |
5 |
8760 |
113.9 |
0.9 |
0.733 |
1 |
0 |
0 |
0.000 |
43 |
|
F |
20 |
7 |
7595 |
◊ |
B |
x,y,z |
1_555 |
15 |
6 |
54365 |
113.9 |
-2.0 |
0.325 |
0 |
0 |
0 |
0.030 |
44 |
|
[SO4]A:2665 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
15 |
7 |
75797 |
96.2 |
-13.8 |
0.573 |
0 |
0 |
0 |
0.095 |
45 |
|
[MPD]G:1317 |
5 |
1 |
278 |
◊ |
A |
x,y,z |
1_555 |
15 |
5 |
75797 |
94.8 |
-5.1 |
0.831 |
0 |
0 |
0 |
0.035 |
46 |
|
[SO4]A:2664 |
5 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
12 |
5 |
75797 |
88.7 |
-11.3 |
0.913 |
5 |
0 |
0 |
0.093 |
47 |
|
H |
9 |
5 |
8760 |
◊ |
A |
-x-1/2,y-1/2,-z+1 |
4_446 |
11 |
4 |
75797 |
87.6 |
2.1 |
0.885 |
2 |
2 |
0 |
0.000 |
48 |
|
[SO4]K:1143 |
5 |
1 |
185 |
f |
K |
x,y,z |
1_555 |
15 |
5 |
7453 |
86.4 |
-10.7 |
0.865 |
1 |
0 |
0 |
0.190 |
49 |
|
B |
8 |
2 |
54365 |
◊ |
F |
x,y,z-1 |
1_554 |
11 |
2 |
7595 |
80.5 |
0.6 |
0.659 |
1 |
2 |
0 |
0.000 |
50 |
|
I |
6 |
2 |
10871 |
◊ |
A |
-x-1/2,y-1/2,-z+1 |
4_446 |
5 |
1 |
75797 |
61.1 |
-1.1 |
0.259 |
0 |
0 |
0 |
0.000 |
51 |
|
N |
5 |
2 |
13780 |
◊ |
I |
-x-1/2,y-1/2,-z |
4_445 |
9 |
5 |
10871 |
58.4 |
0.9 |
0.805 |
1 |
0 |
0 |
0.000 |
52 |
|
[ZN]I:1127 |
1 |
1 |
98 |
f |
I |
x,y,z |
1_555 |
6 |
5 |
10871 |
52.5 |
-38.5 |
0.000 |
0 |
0 |
0 |
0.295 |
53 |
|
D |
5 |
2 |
5875 |
◊ |
B |
-x,y,-z+1 |
2_556 |
6 |
1 |
54365 |
50.5 |
-0.4 |
0.420 |
0 |
0 |
0 |
0.000 |
54 |
|
N |
5 |
2 |
13780 |
◊ |
A |
x,y,z-1 |
1_554 |
8 |
2 |
75797 |
48.1 |
-0.1 |
0.569 |
1 |
1 |
0 |
0.000 |
55 |
|
G |
3 |
1 |
19846 |
◊ |
D |
-x,y,-z+2 |
2_557 |
6 |
1 |
5875 |
36.6 |
-0.2 |
0.582 |
0 |
0 |
0 |
0.000 |
56 |
|
[MG]B:2204 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
6 |
3 |
54365 |
33.1 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.115 |
57 |
|
C |
2 |
1 |
18142 |
◊ |
A |
x,y,z |
1_555 |
5 |
2 |
75797 |
28.8 |
0.5 |
0.733 |
0 |
0 |
0 |
0.000 |
58 |
|
[MG]B:2204 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
5 |
2 |
75797 |
26.9 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.007 |
59 |
|
B |
2 |
2 |
54365 |
◊ |
E |
-x-1/2,y-1/2,-z+1 |
4_446 |
2 |
2 |
13326 |
13.4 |
-0.1 |
0.501 |
0 |
0 |
0 |
0.000 |
60 |
|
[MPD]G:1317 |
3 |
1 |
278 |
◊ |
B |
x,y,z |
1_555 |
2 |
2 |
54365 |
12.8 |
-0.7 |
0.000 |
0 |
0 |
0 |
0.010 |
61 |
|
[SO4]K:1143 |
1 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
54365 |
10.8 |
-1.5 |
0.375 |
0 |
0 |
0 |
0.003 |
62 |
|
[MG]B:2204 |
1 |
1 |
98 |
◊ |
I |
x,y,z |
1_555 |
2 |
1 |
10871 |
7.5 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.007 |
63 |
|
[ZN]J:1070 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
2 |
1 |
54365 |
4.4 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.066 |
64 |
|
C |
1 |
1 |
18142 |
◊ |
A |
-x-1/2,y-1/2,-z+1 |
4_446 |
1 |
1 |
75797 |
3.1 |
-0.0 |
0.555 |
0 |
0 |
0 |
0.000 |
65 |
|
[SO4]K:1143 |
1 |
1 |
185 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
18142 |
1.7 |
-0.2 |
0.847 |
0 |
0 |
0 |
0.003 |
66 |
|
[MPD]G:1317 |
1 |
1 |
278 |
◊ |
D |
x,y,z |
1_555 |
1 |
1 |
5875 |
1.6 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.000 |
67 |
|
H |
1 |
1 |
8760 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
18142 |
1.1 |
0.1 |
0.715 |
0 |
0 |
0 |
0.000 |
68 |
|
[ZN]I:1126 |
1 |
1 |
98 |
f |
M |
x,y,z |
1_555 |
1 |
1 |
9059 |
0.7 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.100 |
|