## |
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 |
|
C |
52 |
16 |
14973 |
◊ |
D |
x,y-1,z |
1_545 |
51 |
16 |
14875 |
498.6 |
-7.8 |
0.164 |
4 |
0 |
0 |
0.000 |
2 |
|
A |
47 |
15 |
15161 |
◊ |
B |
-x,y-1/2,-z |
2_545 |
50 |
15 |
15199 |
477.0 |
-7.8 |
0.146 |
2 |
0 |
0 |
0.000 |
Average: |
487.8 |
-7.8 |
0.155 |
3 |
0 |
0 |
0.000 |
2 |
3 |
|
[FO2]D:403 |
23 |
1 |
500 |
f |
D |
x,y,z |
1_555 |
59 |
23 |
14875 |
346.7 |
2.7 |
0.615 |
3 |
0 |
0 |
0.000 |
4 |
|
[FO2]B:403 |
23 |
1 |
496 |
f |
B |
x,y,z |
1_555 |
58 |
23 |
15199 |
345.0 |
1.7 |
0.524 |
3 |
0 |
0 |
0.000 |
5 |
|
[FO2]C:403 |
23 |
1 |
500 |
f |
C |
x,y,z |
1_555 |
57 |
22 |
14973 |
343.4 |
2.7 |
0.623 |
3 |
0 |
0 |
0.000 |
6 |
|
[FO2]A:403 |
23 |
1 |
500 |
f |
A |
x,y,z |
1_555 |
60 |
22 |
15161 |
342.3 |
1.8 |
0.526 |
4 |
0 |
0 |
0.000 |
Average: |
344.4 |
2.2 |
0.572 |
3 |
0 |
0 |
0.000 |
3 |
7 |
|
C |
37 |
8 |
14973 |
◊ |
D |
-x,y-1/2,-z+1 |
2_546 |
37 |
10 |
14875 |
322.3 |
-2.9 |
0.508 |
3 |
0 |
0 |
0.000 |
4 |
8 |
|
A |
37 |
16 |
15161 |
◊ |
D |
-x-1,y-1/2,-z |
2_445 |
33 |
10 |
14875 |
311.5 |
-3.6 |
0.370 |
2 |
0 |
0 |
0.000 |
5 |
9 |
|
C |
31 |
8 |
14973 |
◊ |
B |
x-1,y,z |
1_455 |
32 |
11 |
15199 |
293.2 |
-2.7 |
0.502 |
4 |
0 |
0 |
0.000 |
6 |
10 |
|
B |
35 |
11 |
15199 |
◊ |
A |
x,y,z |
1_555 |
33 |
8 |
15161 |
291.3 |
-2.6 |
0.501 |
3 |
0 |
0 |
0.000 |
7 |
11 |
|
C |
27 |
9 |
14973 |
◊ |
A |
-x-1,y-1/2,-z |
2_445 |
29 |
7 |
15161 |
269.0 |
-2.7 |
0.433 |
3 |
4 |
0 |
0.000 |
8 |
12 |
|
C |
20 |
7 |
14973 |
◊ |
D |
x-1,y-1,z |
1_445 |
20 |
5 |
14875 |
183.0 |
1.3 |
0.868 |
1 |
2 |
0 |
0.000 |
13 |
|
A |
16 |
5 |
15161 |
◊ |
B |
-x-1,y-1/2,-z |
2_445 |
23 |
7 |
15199 |
162.4 |
-0.2 |
0.708 |
1 |
1 |
0 |
0.000 |
Average: |
172.7 |
0.5 |
0.788 |
1 |
2 |
0 |
0.000 |
9 |
14 |
|
A |
16 |
5 |
15161 |
◊ |
B |
x-1,y,z |
1_455 |
20 |
8 |
15199 |
171.1 |
-3.2 |
0.214 |
0 |
0 |
0 |
0.000 |
10 |
15 |
|
[GOL]D:404 |
6 |
1 |
218 |
f |
D |
x,y,z |
1_555 |
24 |
12 |
14875 |
140.1 |
-0.1 |
0.644 |
6 |
0 |
0 |
0.005 |
11 |
16 |
|
[GOL]A:405 |
6 |
1 |
221 |
f |
A |
x,y,z |
1_555 |
22 |
13 |
15161 |
138.9 |
0.1 |
0.674 |
6 |
0 |
0 |
0.006 |
12 |
17 |
|
[GOL]B:404 |
6 |
1 |
222 |
f |
B |
x,y,z |
1_555 |
20 |
9 |
15199 |
137.8 |
-0.2 |
0.590 |
3 |
0 |
0 |
0.004 |
13 |
18 |
|
[DMS]B:405 |
4 |
1 |
209 |
f |
B |
x,y,z |
1_555 |
15 |
8 |
15199 |
116.4 |
1.8 |
0.477 |
0 |
0 |
0 |
0.000 |
14 |
19 |
|
C |
15 |
5 |
14973 |
◊ |
D |
-x-1,y-1/2,-z+1 |
2_446 |
13 |
3 |
14875 |
113.3 |
-2.5 |
0.243 |
0 |
0 |
0 |
0.000 |
15 |
20 |
|
[GOL]C:404 |
6 |
1 |
222 |
f |
D |
x,y-1,z |
1_545 |
13 |
6 |
14875 |
94.2 |
0.2 |
0.641 |
5 |
0 |
0 |
0.005 |
21 |
|
[GOL]A:404 |
6 |
1 |
222 |
f |
A |
x,y,z |
1_555 |
12 |
6 |
15161 |
92.7 |
0.2 |
0.634 |
5 |
0 |
0 |
0.005 |
Average: |
93.4 |
0.2 |
0.637 |
5 |
0 |
0 |
0.005 |
16 |
22 |
|
[GOL]C:404 |
5 |
1 |
222 |
◊ |
C |
x,y,z |
1_555 |
14 |
6 |
14973 |
92.0 |
-0.1 |
0.585 |
4 |
0 |
0 |
0.000 |
23 |
|
[GOL]A:404 |
6 |
1 |
222 |
◊ |
B |
-x,y-1/2,-z |
2_545 |
14 |
6 |
15199 |
91.9 |
-0.4 |
0.518 |
2 |
0 |
0 |
0.000 |
Average: |
91.9 |
-0.3 |
0.552 |
3 |
0 |
0 |
0.000 |
17 |
24 |
|
[DMS]A:406 |
4 |
1 |
205 |
f |
A |
x,y,z |
1_555 |
17 |
5 |
15161 |
91.7 |
2.6 |
0.540 |
0 |
0 |
0 |
0.000 |
18 |
25 |
|
A |
9 |
3 |
15161 |
◊ |
D |
-x,y-1/2,-z |
2_545 |
10 |
4 |
14875 |
80.6 |
-0.4 |
0.431 |
0 |
0 |
0 |
0.000 |
19 |
26 |
|
C |
11 |
3 |
14973 |
◊ |
B |
x,y,z |
1_555 |
10 |
3 |
15199 |
79.4 |
-2.3 |
0.205 |
0 |
0 |
0 |
0.000 |
20 |
27 |
|
[CL]D:405 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
19 |
8 |
14875 |
74.5 |
-9.3 |
0.000 |
0 |
0 |
0 |
0.020 |
28 |
|
[CL]C:405 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
14 |
7 |
14973 |
73.2 |
-9.6 |
0.000 |
0 |
0 |
0 |
0.020 |
Average: |
73.8 |
-9.5 |
0.000 |
0 |
0 |
0 |
0.020 |
21 |
29 |
|
[ZN]B:401 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
9 |
5 |
15199 |
35.7 |
-22.7 |
0.000 |
0 |
0 |
0 |
0.060 |
30 |
|
[ZN]A:401 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
10 |
5 |
15161 |
35.4 |
-23.0 |
0.000 |
0 |
0 |
0 |
0.060 |
31 |
|
[ZN]D:401 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
8 |
4 |
14875 |
35.3 |
-22.5 |
0.000 |
0 |
0 |
0 |
0.060 |
32 |
|
[ZN]C:401 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
9 |
5 |
14973 |
35.1 |
-22.7 |
0.000 |
0 |
0 |
0 |
0.060 |
Average: |
35.4 |
-22.7 |
0.000 |
0 |
0 |
0 |
0.060 |
22 |
33 |
|
[FO2]A:403 |
4 |
1 |
500 |
f |
[ZN]A:401 |
x,y,z |
1_555 |
1 |
1 |
98 |
34.1 |
-16.1 |
0.000 |
0 |
0 |
0 |
0.042 |
34 |
|
[FO2]B:403 |
5 |
1 |
496 |
f |
[ZN]B:401 |
x,y,z |
1_555 |
1 |
1 |
98 |
33.8 |
-15.9 |
0.000 |
0 |
0 |
0 |
0.042 |
35 |
|
[FO2]D:403 |
4 |
1 |
500 |
f |
[ZN]D:401 |
x,y,z |
1_555 |
1 |
1 |
98 |
33.8 |
-16.0 |
0.000 |
0 |
0 |
0 |
0.042 |
36 |
|
[FO2]C:403 |
4 |
1 |
500 |
f |
[ZN]C:401 |
x,y,z |
1_555 |
1 |
1 |
98 |
33.7 |
-16.3 |
0.000 |
0 |
0 |
0 |
0.042 |
Average: |
33.9 |
-16.1 |
0.000 |
0 |
0 |
0 |
0.042 |
23 |
37 |
|
D |
2 |
1 |
14875 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
15199 |
28.4 |
0.8 |
0.888 |
0 |
0 |
0 |
0.000 |
24 |
38 |
|
D |
2 |
1 |
14875 |
◊ |
C |
x,y,z |
1_555 |
4 |
1 |
14973 |
12.5 |
-0.4 |
0.369 |
0 |
0 |
0 |
0.000 |
25 |
39 |
|
C |
2 |
1 |
14973 |
◊ |
[CL]D:405 |
x-1,y-1,z |
1_445 |
1 |
1 |
125 |
7.1 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.000 |
26 |
40 |
|
A |
1 |
1 |
15161 |
◊ |
[GOL]B:404 |
-x,y-1/2,-z |
2_545 |
1 |
1 |
222 |
4.1 |
0.1 |
0.628 |
0 |
0 |
0 |
0.000 |
27 |
41 |
|
B |
2 |
1 |
15199 |
x |
B |
-x,y-1/2,-z |
2_545 |
1 |
1 |
15199 |
1.5 |
-0.0 |
0.540 |
0 |
0 |
0 |
0.000 |
28 |
42 |
|
C |
1 |
1 |
14973 |
x |
C |
-x-1,y-1/2,-z+1 |
2_446 |
1 |
1 |
14973 |
0.7 |
0.0 |
0.633 |
0 |
0 |
0 |
0.000 |
|