## |
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 |
111 |
29 |
7281 |
◊ |
C |
x,y,z |
1_555 |
111 |
29 |
6988 |
938.7 |
-19.6 |
0.033 |
9 |
0 |
0 |
1.000 |
2 |
|
B |
104 |
27 |
7239 |
◊ |
A |
x,y,z |
1_555 |
104 |
27 |
7386 |
915.5 |
-19.0 |
0.025 |
12 |
0 |
0 |
1.000 |
Average: |
927.1 |
-19.3 |
0.029 |
11 |
0 |
0 |
1.000 |
2 |
3 |
|
C |
66 |
18 |
6988 |
◊ |
A |
x-1,y,z |
1_455 |
62 |
16 |
7386 |
656.3 |
1.5 |
0.772 |
8 |
5 |
0 |
0.000 |
3 |
4 |
|
C |
60 |
16 |
6988 |
◊ |
B |
x-1,y,z+1 |
1_456 |
54 |
15 |
7239 |
509.6 |
-1.8 |
0.622 |
4 |
5 |
0 |
0.000 |
5 |
|
D |
50 |
15 |
7281 |
◊ |
A |
x,y,z |
1_555 |
41 |
11 |
7386 |
428.0 |
-4.5 |
0.372 |
2 |
1 |
0 |
0.000 |
Average: |
468.8 |
-3.1 |
0.497 |
3 |
3 |
0 |
0.000 |
4 |
6 |
|
B |
47 |
11 |
7239 |
◊ |
C |
-x-1,y-1/2,-z |
2_445 |
62 |
18 |
6988 |
444.1 |
-4.0 |
0.425 |
7 |
0 |
0 |
0.000 |
5 |
7 |
|
B |
46 |
11 |
7239 |
◊ |
A |
x,y,z-1 |
1_554 |
52 |
16 |
7386 |
430.0 |
-1.9 |
0.575 |
5 |
9 |
0 |
0.000 |
6 |
8 |
|
B |
44 |
15 |
7239 |
◊ |
D |
-x,y-1/2,-z |
2_545 |
46 |
15 |
7281 |
416.9 |
-2.2 |
0.552 |
6 |
3 |
0 |
0.000 |
7 |
9 |
|
D |
29 |
6 |
7281 |
◊ |
A |
x-1,y,z |
1_455 |
27 |
7 |
7386 |
234.4 |
-2.7 |
0.384 |
0 |
0 |
0 |
0.000 |
8 |
10 |
|
A |
29 |
7 |
7386 |
◊ |
D |
-x,y-1/2,-z+1 |
2_546 |
28 |
9 |
7281 |
209.9 |
-3.3 |
0.327 |
0 |
0 |
0 |
0.000 |
9 |
11 |
|
C |
20 |
6 |
6988 |
◊ |
D |
x-1,y,z |
1_455 |
13 |
5 |
7281 |
168.7 |
1.9 |
0.820 |
3 |
2 |
0 |
0.000 |
10 |
12 |
|
A |
19 |
5 |
7386 |
◊ |
C |
-x-1,y-1/2,-z+1 |
2_446 |
12 |
4 |
6988 |
167.9 |
0.8 |
0.681 |
3 |
4 |
0 |
0.000 |
11 |
13 |
|
B |
13 |
4 |
7239 |
◊ |
A |
-x,y-1/2,-z |
2_545 |
11 |
3 |
7386 |
126.3 |
-2.4 |
0.205 |
1 |
0 |
0 |
0.000 |
12 |
14 |
|
A |
15 |
3 |
7386 |
◊ |
C |
-x,y-1/2,-z+1 |
2_546 |
19 |
3 |
6988 |
119.4 |
-2.0 |
0.354 |
0 |
0 |
0 |
0.000 |
13 |
15 |
|
B |
11 |
3 |
7239 |
◊ |
D |
x,y,z-1 |
1_554 |
10 |
2 |
7281 |
107.6 |
1.7 |
0.823 |
0 |
0 |
0 |
0.000 |
14 |
16 |
|
[ACT]A:1131 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
16 |
7 |
7386 |
106.0 |
-0.4 |
0.689 |
1 |
0 |
0 |
0.029 |
15 |
17 |
|
D |
7 |
2 |
7281 |
◊ |
C |
x,y,z-1 |
1_554 |
17 |
8 |
6988 |
102.8 |
0.4 |
0.683 |
2 |
0 |
0 |
0.000 |
16 |
18 |
|
D |
11 |
6 |
7281 |
◊ |
B |
x-1,y,z |
1_455 |
9 |
3 |
7239 |
94.2 |
-2.3 |
0.171 |
0 |
0 |
0 |
0.000 |
17 |
19 |
|
D |
9 |
3 |
7281 |
◊ |
C |
-x-1,y-1/2,-z+1 |
2_446 |
8 |
2 |
6988 |
83.2 |
1.0 |
0.799 |
0 |
0 |
0 |
0.000 |
18 |
20 |
|
[ACT]D:1130 |
4 |
1 |
183 |
f |
D |
x,y,z |
1_555 |
11 |
7 |
7281 |
80.1 |
1.1 |
0.852 |
3 |
0 |
0 |
0.076 |
19 |
21 |
|
[ACT]A:1130 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
14 |
8 |
7386 |
77.0 |
-0.4 |
0.643 |
2 |
0 |
0 |
0.045 |
20 |
22 |
|
[ACT]B:1131 |
4 |
1 |
182 |
f |
A |
x,y,z-1 |
1_554 |
13 |
5 |
7386 |
75.4 |
-1.6 |
0.474 |
0 |
0 |
0 |
0.054 |
21 |
23 |
|
[ACT]D:1129 |
4 |
1 |
183 |
◊ |
D |
x,y,z |
1_555 |
8 |
4 |
7281 |
71.8 |
0.6 |
0.784 |
2 |
0 |
0 |
0.000 |
22 |
24 |
|
[ACT]C:1128 |
4 |
1 |
183 |
◊ |
C |
x,y,z |
1_555 |
15 |
4 |
6988 |
71.6 |
-0.2 |
0.667 |
1 |
0 |
0 |
0.000 |
23 |
25 |
|
[ACT]B:1131 |
4 |
1 |
182 |
◊ |
B |
x,y,z |
1_555 |
14 |
6 |
7239 |
70.9 |
-0.6 |
0.582 |
1 |
0 |
0 |
0.000 |
24 |
26 |
|
[NH4]C:1126 |
1 |
1 |
117 |
f |
C |
x,y,z |
1_555 |
10 |
4 |
6988 |
61.8 |
0.8 |
0.723 |
0 |
0 |
0 |
0.000 |
25 |
27 |
|
[NH4]D:1128 |
1 |
1 |
117 |
◊ |
D |
x,y,z |
1_555 |
9 |
6 |
7281 |
61.4 |
0.8 |
0.783 |
0 |
0 |
0 |
0.000 |
26 |
28 |
|
[NH4]B:1130 |
1 |
1 |
117 |
◊ |
B |
x,y,z |
1_555 |
9 |
5 |
7239 |
60.3 |
1.4 |
0.854 |
0 |
0 |
0 |
0.000 |
27 |
29 |
|
[NH4]C:1127 |
1 |
1 |
117 |
f |
C |
x,y,z |
1_555 |
9 |
3 |
6988 |
49.5 |
0.6 |
0.778 |
0 |
0 |
0 |
0.000 |
28 |
30 |
|
[NH4]A:1132 |
1 |
1 |
117 |
◊ |
A |
x,y,z |
1_555 |
7 |
5 |
7386 |
47.2 |
0.6 |
0.818 |
0 |
0 |
0 |
0.000 |
29 |
31 |
|
C |
6 |
1 |
6988 |
f |
[ACT]D:1129 |
x-1,y,z |
1_455 |
3 |
1 |
183 |
46.3 |
-0.7 |
0.450 |
0 |
0 |
0 |
0.031 |
30 |
32 |
|
A |
4 |
1 |
7386 |
◊ |
B |
-x,y-1/2,-z |
2_545 |
10 |
3 |
7239 |
46.3 |
0.3 |
0.687 |
0 |
0 |
0 |
0.000 |
31 |
33 |
|
A |
5 |
1 |
7386 |
f |
[ACT]C:1128 |
-x-1,y-1/2,-z+1 |
2_446 |
4 |
1 |
183 |
39.4 |
-0.7 |
0.541 |
0 |
0 |
0 |
0.024 |
32 |
34 |
|
[ACT]A:1130 |
3 |
1 |
183 |
◊ |
D |
-x,y-1/2,-z+1 |
2_546 |
5 |
2 |
7281 |
38.6 |
-1.2 |
0.386 |
0 |
0 |
0 |
0.000 |
33 |
35 |
|
B |
3 |
1 |
7239 |
◊ |
[ACT]A:1131 |
x,y,z-1 |
1_554 |
2 |
1 |
183 |
34.0 |
0.1 |
0.652 |
0 |
0 |
0 |
0.000 |
34 |
36 |
|
[NH4]D:1128 |
1 |
1 |
117 |
◊ |
[ACT]D:1130 |
x,y,z |
1_555 |
4 |
1 |
183 |
33.9 |
0.5 |
0.901 |
0 |
0 |
0 |
0.000 |
37 |
|
[NH4]A:1132 |
1 |
1 |
117 |
◊ |
[ACT]A:1130 |
x,y,z |
1_555 |
3 |
1 |
183 |
30.2 |
0.4 |
0.829 |
0 |
0 |
0 |
0.000 |
Average: |
32.1 |
0.5 |
0.865 |
0 |
0 |
0 |
0.000 |
35 |
38 |
|
[NH4]C:1127 |
1 |
1 |
117 |
◊ |
[ACT]C:1128 |
x,y,z |
1_555 |
3 |
1 |
183 |
32.6 |
0.7 |
0.935 |
0 |
0 |
0 |
0.000 |
36 |
39 |
|
[ACT]A:1130 |
4 |
1 |
183 |
◊ |
C |
-x,y-1/2,-z+1 |
2_546 |
2 |
1 |
6988 |
22.8 |
-0.3 |
0.369 |
0 |
0 |
0 |
0.000 |
37 |
40 |
|
A |
4 |
1 |
7386 |
◊ |
[NH4]C:1127 |
-x-1,y-1/2,-z+1 |
2_446 |
1 |
1 |
117 |
19.4 |
0.4 |
0.860 |
0 |
0 |
0 |
0.000 |
38 |
41 |
|
[NH4]A:1132 |
1 |
1 |
117 |
◊ |
C |
-x,y-1/2,-z+1 |
2_546 |
2 |
1 |
6988 |
17.9 |
-0.1 |
0.485 |
0 |
0 |
0 |
0.002 |
39 |
42 |
|
C |
2 |
1 |
6988 |
f |
[NH4]B:1130 |
x-1,y,z+1 |
1_456 |
1 |
1 |
117 |
13.8 |
-0.1 |
0.579 |
0 |
0 |
0 |
0.002 |
40 |
43 |
|
[NH4]A:1132 |
1 |
1 |
117 |
f |
D |
-x,y-1/2,-z+1 |
2_546 |
2 |
2 |
7281 |
12.6 |
-0.1 |
0.580 |
0 |
0 |
0 |
0.024 |
41 |
44 |
|
B |
3 |
2 |
7239 |
◊ |
[ACT]D:1129 |
-x,y-1/2,-z |
2_545 |
2 |
1 |
183 |
10.6 |
-0.3 |
0.593 |
0 |
0 |
0 |
0.000 |
42 |
45 |
|
A |
1 |
1 |
7386 |
◊ |
[ACT]D:1129 |
-x,y-1/2,-z+1 |
2_546 |
1 |
1 |
183 |
4.0 |
-0.1 |
0.446 |
0 |
0 |
0 |
0.000 |
|