## |
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 |
|
D |
139 |
36 |
7843 |
◊ |
A |
x,y,z |
1_555 |
130 |
35 |
7749 |
1230.9 |
-15.4 |
0.114 |
10 |
2 |
0 |
0.233 |
2 |
|
C |
126 |
34 |
7362 |
◊ |
B |
x,y,z |
1_555 |
126 |
33 |
7589 |
1175.4 |
-15.8 |
0.092 |
12 |
3 |
0 |
0.233 |
Average: |
1203.2 |
-15.6 |
0.103 |
11 |
3 |
0 |
0.233 |
2 |
3 |
|
B |
89 |
28 |
7589 |
◊ |
A |
x,y,z |
1_555 |
88 |
27 |
7749 |
784.4 |
-5.2 |
0.367 |
11 |
0 |
0 |
0.102 |
4 |
|
D |
84 |
26 |
7843 |
◊ |
C |
x,y,z |
1_555 |
80 |
26 |
7362 |
766.4 |
-5.5 |
0.373 |
10 |
0 |
0 |
0.102 |
Average: |
775.4 |
-5.3 |
0.370 |
11 |
0 |
0 |
0.102 |
3 |
5 |
|
A |
71 |
23 |
7749 |
◊ |
A |
-x+1,-y,z |
2_655 |
70 |
23 |
7749 |
699.6 |
1.3 |
0.828 |
19 |
8 |
0 |
0.067 |
4 |
6 |
|
C |
58 |
13 |
7362 |
◊ |
B |
x-1/2,-y+1/2,-z+1/2 |
8_455 |
65 |
15 |
7589 |
590.5 |
-7.9 |
0.198 |
4 |
0 |
0 |
0.049 |
5 |
7 |
|
C |
47 |
14 |
7362 |
◊ |
A |
x,y,z |
1_555 |
49 |
14 |
7749 |
421.8 |
-11.2 |
0.006 |
2 |
0 |
0 |
0.120 |
8 |
|
D |
47 |
14 |
7843 |
◊ |
B |
x,y,z |
1_555 |
46 |
13 |
7589 |
410.1 |
-10.9 |
0.007 |
2 |
0 |
0 |
0.120 |
Average: |
415.9 |
-11.0 |
0.006 |
2 |
0 |
0 |
0.120 |
6 |
9 |
|
D |
41 |
8 |
7843 |
◊ |
A |
x,-y,-z+1 |
4_556 |
43 |
8 |
7749 |
413.6 |
-0.6 |
0.662 |
2 |
14 |
0 |
0.000 |
7 |
10 |
|
D |
21 |
4 |
7843 |
◊ |
A |
-x,-y,z |
2_555 |
25 |
9 |
7749 |
220.4 |
-2.1 |
0.382 |
2 |
0 |
0 |
0.000 |
8 |
11 |
|
[CTN]D:1004 |
16 |
1 |
379 |
f |
D |
x,y,z |
1_555 |
32 |
14 |
7843 |
176.4 |
-0.5 |
0.319 |
6 |
0 |
0 |
0.066 |
12 |
|
[CTN]C:1003 |
16 |
1 |
380 |
f |
C |
x,y,z |
1_555 |
31 |
14 |
7362 |
175.7 |
-0.4 |
0.319 |
6 |
0 |
0 |
0.066 |
13 |
|
[CTN]A:1001 |
16 |
1 |
378 |
f |
A |
x,y,z |
1_555 |
31 |
14 |
7749 |
173.3 |
-0.2 |
0.309 |
6 |
0 |
0 |
0.066 |
Average: |
175.1 |
-0.4 |
0.316 |
6 |
0 |
0 |
0.066 |
9 |
14 |
|
B |
21 |
8 |
7589 |
◊ |
B |
-x+1,-y,z |
2_655 |
21 |
8 |
7589 |
167.2 |
-0.6 |
0.601 |
0 |
0 |
0 |
0.001 |
10 |
15 |
|
[URI]B:1002 |
16 |
1 |
375 |
f |
B |
x,y,z |
1_555 |
30 |
14 |
7589 |
159.5 |
-0.9 |
0.320 |
6 |
0 |
0 |
0.038 |
11 |
16 |
|
B |
14 |
5 |
7589 |
◊ |
A |
-x+1,-y,z |
2_655 |
16 |
5 |
7749 |
123.9 |
0.9 |
0.760 |
0 |
0 |
0 |
0.000 |
12 |
17 |
|
[CTN]D:1004 |
11 |
1 |
379 |
◊ |
B |
x,y,z |
1_555 |
14 |
4 |
7589 |
80.1 |
-0.7 |
0.204 |
2 |
0 |
0 |
0.034 |
18 |
|
[CTN]C:1003 |
12 |
1 |
380 |
◊ |
A |
x,y,z |
1_555 |
14 |
4 |
7749 |
78.9 |
-0.9 |
0.188 |
2 |
0 |
0 |
0.034 |
19 |
|
[CTN]A:1001 |
11 |
1 |
378 |
◊ |
C |
x,y,z |
1_555 |
15 |
4 |
7362 |
77.5 |
-0.8 |
0.233 |
2 |
0 |
0 |
0.034 |
Average: |
78.8 |
-0.8 |
0.208 |
2 |
0 |
0 |
0.034 |
13 |
20 |
|
C |
9 |
2 |
7362 |
◊ |
A |
-x,-y,z |
2_555 |
9 |
2 |
7749 |
78.8 |
0.3 |
0.689 |
1 |
0 |
0 |
0.000 |
14 |
21 |
|
[URI]B:1002 |
12 |
1 |
375 |
◊ |
D |
x,y,z |
1_555 |
14 |
4 |
7843 |
74.7 |
-1.2 |
0.188 |
2 |
0 |
0 |
0.021 |
15 |
22 |
|
[SO4]A:1005 |
5 |
1 |
183 |
◊ |
A |
x,y,z |
1_555 |
12 |
7 |
7749 |
66.0 |
-7.5 |
0.770 |
2 |
0 |
0 |
0.134 |
16 |
23 |
|
[SO4]A:1005 |
5 |
1 |
183 |
◊ |
A |
-x+1,-y,z |
2_655 |
11 |
6 |
7749 |
61.8 |
-7.0 |
0.801 |
4 |
0 |
0 |
0.140 |
17 |
24 |
|
[CTN]C:1003 |
6 |
1 |
380 |
◊ |
D |
x,y,z |
1_555 |
9 |
2 |
7843 |
61.6 |
0.3 |
0.338 |
0 |
0 |
0 |
0.000 |
25 |
|
[CTN]D:1004 |
6 |
1 |
379 |
◊ |
C |
x,y,z |
1_555 |
9 |
2 |
7362 |
59.2 |
0.4 |
0.350 |
0 |
0 |
0 |
0.000 |
26 |
|
[CTN]A:1001 |
5 |
1 |
378 |
◊ |
B |
x,y,z |
1_555 |
9 |
2 |
7589 |
59.1 |
0.4 |
0.366 |
0 |
0 |
0 |
0.000 |
Average: |
60.0 |
0.4 |
0.351 |
0 |
0 |
0 |
0.000 |
18 |
27 |
|
[URI]B:1002 |
7 |
1 |
375 |
◊ |
A |
x,y,z |
1_555 |
9 |
2 |
7749 |
58.2 |
0.6 |
0.343 |
0 |
0 |
0 |
0.000 |
19 |
28 |
|
A |
5 |
3 |
7749 |
◊ |
A |
x,-y,-z+1 |
4_556 |
5 |
3 |
7749 |
55.7 |
1.8 |
0.912 |
1 |
0 |
0 |
0.000 |
29 |
|
D |
7 |
3 |
7843 |
◊ |
D |
x,-y,-z+1 |
4_556 |
7 |
3 |
7843 |
55.4 |
1.6 |
0.881 |
1 |
0 |
0 |
0.000 |
Average: |
55.6 |
1.7 |
0.897 |
1 |
0 |
0 |
0.000 |
20 |
30 |
|
[SO4]A:1005 |
5 |
1 |
183 |
f |
[SO4]A:1005 |
-x+1,-y,z |
2_655 |
5 |
1 |
183 |
55.0 |
-11.5 |
0.993 |
0 |
0 |
0 |
0.100 |
21 |
31 |
|
D |
4 |
2 |
7843 |
◊ |
B |
-x,-y,z |
2_555 |
8 |
4 |
7589 |
46.7 |
-0.8 |
0.358 |
0 |
0 |
0 |
0.000 |
22 |
32 |
|
A |
5 |
1 |
7749 |
◊ |
A |
-x,-y,z |
2_555 |
5 |
1 |
7749 |
42.3 |
1.0 |
0.831 |
0 |
0 |
0 |
0.000 |
23 |
33 |
|
[NH3]B:1006 |
1 |
1 |
117 |
f |
B |
x,y,z |
1_555 |
11 |
6 |
7589 |
42.1 |
0.6 |
0.781 |
0 |
0 |
0 |
0.000 |
24 |
34 |
|
[ZN]D:147 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
4 |
3 |
7843 |
35.4 |
-27.7 |
0.000 |
0 |
0 |
0 |
0.600 |
35 |
|
[ZN]A:147 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
4 |
3 |
7749 |
35.1 |
-27.3 |
0.000 |
0 |
0 |
0 |
0.600 |
36 |
|
[ZN]C:147 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
4 |
3 |
7362 |
34.7 |
-27.1 |
0.000 |
0 |
0 |
0 |
0.600 |
37 |
|
[ZN]B:147 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
6 |
4 |
7589 |
30.2 |
-23.4 |
0.000 |
0 |
0 |
0 |
0.600 |
Average: |
33.8 |
-26.4 |
0.000 |
0 |
0 |
0 |
0.600 |
25 |
38 |
|
[NH3]B:1006 |
1 |
1 |
117 |
f |
[URI]B:1002 |
x,y,z |
1_555 |
6 |
1 |
375 |
29.4 |
1.0 |
0.737 |
0 |
0 |
0 |
0.000 |
26 |
39 |
|
[URI]B:1002 |
7 |
1 |
375 |
f |
[ZN]B:147 |
x,y,z |
1_555 |
1 |
1 |
98 |
20.4 |
-9.1 |
0.000 |
0 |
0 |
0 |
0.098 |
27 |
40 |
|
C |
3 |
1 |
7362 |
◊ |
B |
-x,-y,z |
2_555 |
3 |
1 |
7589 |
18.4 |
0.3 |
0.576 |
0 |
0 |
0 |
0.000 |
28 |
41 |
|
[ZN]C:147 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
2 |
2 |
7749 |
14.5 |
-7.0 |
0.000 |
0 |
0 |
0 |
0.137 |
42 |
|
[ZN]A:147 |
1 |
1 |
98 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
7362 |
13.9 |
-6.7 |
0.000 |
0 |
0 |
0 |
0.137 |
43 |
|
[ZN]D:147 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
2 |
2 |
7589 |
13.5 |
-6.5 |
0.000 |
0 |
0 |
0 |
0.137 |
44 |
|
[ZN]B:147 |
1 |
1 |
98 |
◊ |
D |
x,y,z |
1_555 |
2 |
2 |
7843 |
12.7 |
-6.0 |
0.000 |
0 |
0 |
0 |
0.137 |
Average: |
13.7 |
-6.6 |
0.000 |
0 |
0 |
0 |
0.137 |
29 |
45 |
|
[NH3]B:1006 |
1 |
1 |
117 |
◊ |
A |
x,y,z |
1_555 |
4 |
1 |
7749 |
14.4 |
-0.1 |
0.599 |
0 |
0 |
0 |
0.000 |
30 |
46 |
|
[CTN]C:1003 |
6 |
1 |
380 |
f |
[ZN]C:147 |
x,y,z |
1_555 |
1 |
1 |
98 |
13.7 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.114 |
47 |
|
[CTN]A:1001 |
6 |
1 |
378 |
f |
[ZN]A:147 |
x,y,z |
1_555 |
1 |
1 |
98 |
13.3 |
-5.3 |
0.000 |
0 |
0 |
0 |
0.114 |
48 |
|
[CTN]D:1004 |
6 |
1 |
379 |
f |
[ZN]D:147 |
x,y,z |
1_555 |
1 |
1 |
98 |
13.1 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.114 |
Average: |
13.4 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.114 |
31 |
49 |
|
B |
1 |
1 |
7589 |
◊ |
C |
-x+1/2,y-1/2,-z+1/2 |
7_545 |
3 |
1 |
7362 |
11.0 |
0.3 |
0.803 |
0 |
0 |
0 |
0.000 |
32 |
50 |
|
C |
1 |
1 |
7362 |
◊ |
C |
-x,-y,z |
2_555 |
1 |
1 |
7362 |
4.7 |
0.1 |
0.783 |
0 |
0 |
0 |
0.000 |
33 |
51 |
|
[NH3]B:1006 |
1 |
1 |
117 |
f |
[ZN]B:147 |
x,y,z |
1_555 |
1 |
1 |
98 |
3.7 |
-1.3 |
0.000 |
0 |
0 |
0 |
0.014 |
34 |
52 |
|
[SO4]A:1005 |
1 |
1 |
183 |
◊ |
B |
-x+1,-y,z |
2_655 |
1 |
1 |
7589 |
1.3 |
-0.1 |
0.894 |
0 |
0 |
0 |
0.000 |
|