## |
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 |
120 |
27 |
11325 |
◊ |
B |
x,y,z |
1_555 |
116 |
27 |
11623 |
989.3 |
3.1 |
0.895 |
16 |
17 |
0 |
0.341 |
2 |
|
C |
88 |
22 |
11448 |
◊ |
A |
x,y,z |
1_555 |
89 |
21 |
11608 |
777.5 |
5.2 |
0.910 |
16 |
14 |
0 |
0.341 |
Average: |
883.4 |
4.2 |
0.902 |
16 |
16 |
0 |
0.341 |
2 |
3 |
|
D |
104 |
25 |
11325 |
◊ |
A |
x,y,z |
1_555 |
106 |
27 |
11608 |
968.8 |
-9.3 |
0.222 |
19 |
5 |
0 |
0.985 |
4 |
|
C |
107 |
27 |
11448 |
◊ |
B |
x,y,z |
1_555 |
105 |
26 |
11623 |
950.4 |
-7.6 |
0.302 |
18 |
6 |
0 |
0.985 |
Average: |
959.6 |
-8.5 |
0.262 |
19 |
6 |
0 |
0.985 |
3 |
5 |
|
B |
101 |
29 |
11623 |
◊ |
A |
x,y,z |
1_555 |
102 |
29 |
11608 |
879.4 |
-9.0 |
0.172 |
9 |
5 |
0 |
0.726 |
6 |
|
D |
99 |
27 |
11325 |
◊ |
C |
x,y,z |
1_555 |
101 |
29 |
11448 |
878.0 |
-8.6 |
0.206 |
10 |
4 |
0 |
0.726 |
Average: |
878.7 |
-8.8 |
0.189 |
10 |
5 |
0 |
0.726 |
4 |
7 |
|
A |
53 |
16 |
11608 |
◊ |
C |
-x+1,y-1/2,-z+1 |
2_646 |
48 |
12 |
11448 |
481.8 |
-4.3 |
0.244 |
5 |
0 |
0 |
0.000 |
5 |
8 |
|
A |
45 |
14 |
11608 |
x |
A |
-x+1,y-1/2,-z+1 |
2_646 |
46 |
14 |
11608 |
371.1 |
0.4 |
0.678 |
5 |
2 |
0 |
0.000 |
6 |
9 |
|
B |
39 |
13 |
11623 |
◊ |
A |
x-1,y,z |
1_455 |
48 |
18 |
11608 |
350.7 |
1.2 |
0.712 |
2 |
1 |
0 |
0.000 |
7 |
10 |
|
B |
24 |
8 |
11623 |
x |
B |
-x,y-1/2,-z+1 |
2_546 |
28 |
10 |
11623 |
216.5 |
0.4 |
0.690 |
2 |
0 |
0 |
0.000 |
8 |
11 |
|
C |
15 |
5 |
11448 |
x |
C |
-x+1,y-1/2,-z |
2_645 |
17 |
5 |
11448 |
142.4 |
-1.6 |
0.352 |
0 |
1 |
0 |
0.000 |
9 |
12 |
|
[GOL]C:1255 |
6 |
1 |
218 |
f |
C |
x,y,z |
1_555 |
20 |
11 |
11448 |
129.2 |
-0.4 |
0.563 |
3 |
0 |
0 |
0.177 |
13 |
|
[GOL]D:1259 |
6 |
1 |
215 |
f |
D |
x,y,z |
1_555 |
20 |
10 |
11325 |
126.8 |
-0.3 |
0.593 |
3 |
0 |
0 |
0.177 |
Average: |
128.0 |
-0.3 |
0.578 |
3 |
0 |
0 |
0.177 |
10 |
14 |
|
[GOL]A:1259 |
6 |
1 |
219 |
f |
A |
x,y,z |
1_555 |
21 |
10 |
11608 |
128.4 |
0.1 |
0.611 |
6 |
0 |
0 |
0.125 |
11 |
15 |
|
D |
18 |
9 |
11325 |
◊ |
C |
-x+1,y-1/2,-z |
2_645 |
12 |
5 |
11448 |
122.6 |
1.1 |
0.789 |
1 |
3 |
0 |
0.000 |
12 |
16 |
|
[EDO]C:1257 |
4 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
19 |
8 |
11448 |
106.1 |
2.7 |
0.412 |
1 |
0 |
0 |
0.000 |
13 |
17 |
|
[GOL]A:1260 |
6 |
1 |
217 |
f |
A |
x,y,z |
1_555 |
20 |
7 |
11608 |
104.9 |
-0.0 |
0.584 |
5 |
0 |
0 |
0.109 |
14 |
18 |
|
[GOL]C:1254 |
6 |
1 |
219 |
f |
C |
x,y,z |
1_555 |
20 |
7 |
11448 |
99.5 |
-0.3 |
0.525 |
3 |
0 |
0 |
0.176 |
19 |
|
[GOL]D:1258 |
6 |
1 |
218 |
f |
D |
x,y,z |
1_555 |
19 |
7 |
11325 |
95.4 |
-0.3 |
0.535 |
3 |
0 |
0 |
0.176 |
Average: |
97.5 |
-0.3 |
0.530 |
3 |
0 |
0 |
0.176 |
15 |
20 |
|
[EDO]B:1259 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
19 |
7 |
11623 |
86.9 |
2.4 |
0.466 |
1 |
0 |
0 |
0.000 |
16 |
21 |
|
[GOL]C:1254 |
5 |
1 |
219 |
◊ |
D |
x,y,z |
1_555 |
11 |
5 |
11325 |
78.5 |
-0.8 |
0.403 |
1 |
0 |
0 |
0.135 |
22 |
|
[GOL]D:1258 |
5 |
1 |
218 |
◊ |
C |
x,y,z |
1_555 |
13 |
5 |
11448 |
73.2 |
-0.8 |
0.420 |
1 |
0 |
0 |
0.135 |
Average: |
75.8 |
-0.8 |
0.412 |
1 |
0 |
0 |
0.135 |
17 |
23 |
|
[EDO]A:1261 |
4 |
1 |
187 |
f |
B |
x,y,z |
1_555 |
12 |
7 |
11623 |
77.6 |
1.8 |
0.273 |
2 |
0 |
0 |
0.000 |
18 |
24 |
|
[EDO]C:1256 |
4 |
1 |
186 |
◊ |
C |
x,y,z |
1_555 |
11 |
6 |
11448 |
77.2 |
1.8 |
0.263 |
2 |
0 |
0 |
0.000 |
19 |
25 |
|
[EDO]A:1261 |
4 |
1 |
187 |
◊ |
A |
x,y,z |
1_555 |
12 |
7 |
11608 |
76.9 |
1.8 |
0.268 |
2 |
0 |
0 |
0.000 |
20 |
26 |
|
[EDO]C:1256 |
4 |
1 |
186 |
f |
D |
x,y,z |
1_555 |
12 |
7 |
11325 |
76.2 |
1.8 |
0.274 |
2 |
0 |
0 |
0.000 |
21 |
27 |
|
[GOL]A:1260 |
5 |
1 |
217 |
◊ |
B |
x,y,z |
1_555 |
13 |
5 |
11623 |
75.9 |
-0.8 |
0.426 |
1 |
0 |
0 |
0.016 |
22 |
28 |
|
[EDO]B:1259 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
10 |
5 |
11608 |
64.1 |
1.1 |
0.639 |
1 |
0 |
0 |
0.000 |
23 |
29 |
|
D |
8 |
3 |
11325 |
◊ |
C |
-x,y-1/2,-z |
2_545 |
7 |
3 |
11448 |
55.1 |
-0.4 |
0.473 |
0 |
0 |
0 |
0.000 |
24 |
30 |
|
D |
5 |
1 |
11325 |
◊ |
B |
-x,y-1/2,-z |
2_545 |
4 |
3 |
11623 |
48.3 |
-1.6 |
0.106 |
0 |
0 |
0 |
0.000 |
25 |
31 |
|
A |
5 |
2 |
11608 |
◊ |
B |
-x+1,y-1/2,-z+1 |
2_646 |
5 |
2 |
11623 |
41.7 |
0.9 |
0.841 |
0 |
1 |
0 |
0.000 |
26 |
32 |
|
[CA]A:1258 |
1 |
1 |
85 |
◊ |
C |
x,y,z |
1_555 |
7 |
4 |
11448 |
34.3 |
-5.7 |
0.000 |
0 |
0 |
0 |
0.584 |
33 |
|
[CA]B:1258 |
1 |
1 |
85 |
◊ |
D |
x,y,z |
1_555 |
7 |
4 |
11325 |
33.8 |
-5.6 |
0.000 |
0 |
0 |
0 |
0.584 |
34 |
|
[CA]B:1258 |
1 |
1 |
85 |
◊ |
B |
x,y,z |
1_555 |
8 |
4 |
11623 |
33.7 |
-5.6 |
0.000 |
0 |
0 |
0 |
0.584 |
35 |
|
[CA]A:1258 |
1 |
1 |
85 |
◊ |
A |
x,y,z |
1_555 |
8 |
4 |
11608 |
32.9 |
-5.5 |
0.000 |
0 |
0 |
0 |
0.584 |
Average: |
33.7 |
-5.6 |
0.000 |
0 |
0 |
0 |
0.584 |
27 |
36 |
|
[GOL]D:1258 |
3 |
1 |
218 |
◊ |
C |
-x+1,y-1/2,-z |
2_645 |
2 |
1 |
11448 |
18.2 |
-0.1 |
0.335 |
0 |
0 |
0 |
0.000 |
28 |
37 |
|
D |
1 |
1 |
11325 |
◊ |
C |
x,y-1,z |
1_545 |
4 |
1 |
11448 |
10.0 |
0.4 |
0.765 |
0 |
0 |
0 |
0.000 |
|