## |
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 |
138 |
40 |
14425 |
◊ |
B |
x,y,z |
1_555 |
137 |
40 |
14464 |
1390.5 |
-8.7 |
0.251 |
11 |
18 |
0 |
0.764 |
2 |
|
C |
140 |
40 |
14254 |
◊ |
A |
x,y,z |
1_555 |
139 |
40 |
14261 |
1385.4 |
-8.4 |
0.237 |
11 |
18 |
0 |
0.764 |
Average: |
1387.9 |
-8.5 |
0.244 |
11 |
18 |
0 |
0.764 |
2 |
3 |
|
D |
74 |
25 |
14425 |
◊ |
A |
x,y,z |
1_555 |
83 |
26 |
14261 |
714.2 |
0.4 |
0.674 |
9 |
5 |
0 |
0.072 |
4 |
|
C |
82 |
27 |
14254 |
◊ |
B |
x,y,z |
1_555 |
74 |
26 |
14464 |
698.6 |
1.5 |
0.744 |
6 |
2 |
0 |
0.072 |
Average: |
706.4 |
1.0 |
0.709 |
8 |
4 |
0 |
0.072 |
3 |
5 |
|
B |
67 |
19 |
14464 |
◊ |
A |
x,y,z |
1_555 |
63 |
18 |
14261 |
586.8 |
-7.2 |
0.112 |
2 |
3 |
0 |
0.228 |
6 |
|
D |
62 |
17 |
14425 |
◊ |
C |
x,y,z |
1_555 |
63 |
17 |
14254 |
575.5 |
-8.4 |
0.080 |
2 |
4 |
0 |
0.228 |
Average: |
581.1 |
-7.8 |
0.096 |
2 |
4 |
0 |
0.228 |
4 |
7 |
|
B |
56 |
20 |
14464 |
◊ |
A |
-x,y-1/2,-z+1/2 |
3_545 |
56 |
18 |
14261 |
498.5 |
-4.9 |
0.245 |
1 |
10 |
0 |
0.000 |
5 |
8 |
|
D |
29 |
10 |
14425 |
x |
D |
x-1/2,-y+1/2,-z |
4_455 |
31 |
10 |
14425 |
266.0 |
4.1 |
0.909 |
2 |
3 |
0 |
0.000 |
6 |
9 |
|
B |
28 |
11 |
14464 |
◊ |
A |
x-1,y,z |
1_455 |
28 |
10 |
14261 |
232.3 |
-0.4 |
0.564 |
0 |
2 |
0 |
0.000 |
7 |
10 |
|
C |
20 |
7 |
14254 |
x |
C |
x-1/2,-y-1/2,-z |
4_445 |
18 |
6 |
14254 |
172.0 |
-3.2 |
0.119 |
1 |
1 |
0 |
0.000 |
8 |
11 |
|
[PEG]D:404 |
7 |
1 |
259 |
f |
D |
x,y,z |
1_555 |
29 |
11 |
14425 |
168.6 |
3.7 |
0.399 |
0 |
0 |
0 |
0.000 |
9 |
12 |
|
A |
25 |
9 |
14261 |
◊ |
B |
-x,y-1/2,-z+1/2 |
3_545 |
19 |
8 |
14464 |
166.1 |
0.7 |
0.649 |
0 |
2 |
0 |
0.000 |
10 |
13 |
|
[BR8]B:401 |
9 |
1 |
250 |
f |
B |
x,y,z |
1_555 |
22 |
13 |
14464 |
149.8 |
4.6 |
0.688 |
6 |
0 |
0 |
0.000 |
14 |
|
[BR8]D:401 |
9 |
1 |
251 |
f |
D |
x,y,z |
1_555 |
21 |
12 |
14425 |
149.2 |
7.0 |
0.723 |
6 |
0 |
0 |
0.000 |
Average: |
149.5 |
5.8 |
0.706 |
6 |
0 |
0 |
0.000 |
11 |
15 |
|
[BR8]C:401 |
9 |
1 |
250 |
f |
C |
x,y,z |
1_555 |
18 |
13 |
14254 |
146.5 |
7.1 |
0.724 |
6 |
0 |
0 |
0.000 |
12 |
16 |
|
[PDO]C:406 |
5 |
1 |
212 |
f |
C |
x,y,z |
1_555 |
25 |
10 |
14254 |
136.8 |
4.3 |
0.405 |
0 |
0 |
0 |
0.000 |
13 |
17 |
|
[MLI]A:401 |
7 |
1 |
225 |
f |
A |
x,y,z |
1_555 |
22 |
12 |
14261 |
134.3 |
6.2 |
0.672 |
6 |
0 |
0 |
0.000 |
14 |
18 |
|
[PDO]B:403 |
5 |
1 |
211 |
f |
B |
x,y,z |
1_555 |
26 |
10 |
14464 |
133.3 |
4.1 |
0.333 |
1 |
0 |
0 |
0.000 |
15 |
19 |
|
[PDO]B:404 |
5 |
1 |
211 |
f |
B |
x,y,z |
1_555 |
19 |
7 |
14464 |
125.5 |
3.8 |
0.154 |
1 |
0 |
0 |
0.000 |
16 |
20 |
|
[PDO]C:404 |
5 |
1 |
210 |
f |
C |
x,y,z |
1_555 |
20 |
8 |
14254 |
122.6 |
4.0 |
0.234 |
1 |
0 |
0 |
0.000 |
17 |
21 |
|
[PDO]A:404 |
5 |
1 |
211 |
◊ |
A |
x,y,z |
1_555 |
18 |
7 |
14261 |
116.6 |
3.0 |
0.121 |
1 |
0 |
0 |
0.000 |
18 |
22 |
|
[PDO]C:403 |
5 |
1 |
213 |
f |
C |
x,y,z |
1_555 |
17 |
7 |
14254 |
105.5 |
2.1 |
0.058 |
1 |
0 |
0 |
0.000 |
19 |
23 |
|
[PDO]A:405 |
5 |
1 |
211 |
◊ |
D |
x,y,z |
1_555 |
19 |
9 |
14425 |
96.3 |
2.7 |
0.000 |
0 |
0 |
0 |
0.000 |
20 |
24 |
|
[PDO]D:403 |
5 |
1 |
211 |
f |
B |
x,y,z |
1_555 |
16 |
6 |
14464 |
90.0 |
1.8 |
0.054 |
1 |
0 |
0 |
0.000 |
21 |
25 |
|
[PDO]C:405 |
5 |
1 |
210 |
f |
A |
x,y,z |
1_555 |
17 |
6 |
14261 |
90.0 |
1.8 |
0.122 |
1 |
0 |
0 |
0.000 |
22 |
26 |
|
[PDO]A:405 |
5 |
1 |
211 |
f |
A |
x,y,z |
1_555 |
15 |
7 |
14261 |
87.7 |
2.6 |
0.000 |
1 |
0 |
0 |
0.000 |
23 |
27 |
|
[PDO]D:403 |
5 |
1 |
211 |
◊ |
D |
x,y,z |
1_555 |
14 |
7 |
14425 |
86.7 |
1.7 |
0.053 |
0 |
0 |
0 |
0.000 |
24 |
28 |
|
[PDO]C:405 |
5 |
1 |
210 |
◊ |
C |
x,y,z |
1_555 |
15 |
8 |
14254 |
86.7 |
1.8 |
0.120 |
0 |
0 |
0 |
0.000 |
25 |
29 |
|
A |
13 |
5 |
14261 |
◊ |
D |
-x,y-1/2,-z+1/2 |
3_545 |
11 |
3 |
14425 |
85.0 |
-0.9 |
0.416 |
0 |
0 |
0 |
0.000 |
26 |
30 |
|
C |
11 |
3 |
14254 |
◊ |
B |
-x,y-1/2,-z+1/2 |
3_545 |
7 |
3 |
14464 |
75.5 |
-0.8 |
0.424 |
0 |
0 |
0 |
0.000 |
27 |
31 |
|
[CL]A:406 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
6 |
4 |
14261 |
62.1 |
-11.7 |
0.000 |
0 |
0 |
0 |
0.301 |
28 |
32 |
|
[NA]A:403 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
9 |
4 |
14261 |
49.6 |
-6.2 |
0.000 |
0 |
0 |
0 |
0.325 |
33 |
|
[NA]A:403 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
9 |
4 |
14464 |
48.1 |
-6.5 |
0.000 |
0 |
0 |
0 |
0.325 |
Average: |
48.9 |
-6.3 |
0.000 |
0 |
0 |
0 |
0.325 |
29 |
34 |
|
C |
8 |
2 |
14254 |
f |
[CL]B:405 |
-x,y-1/2,-z+1/2 |
3_545 |
1 |
1 |
125 |
46.5 |
-5.3 |
0.000 |
0 |
0 |
0 |
0.139 |
30 |
35 |
|
[CA]A:402 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
4 |
4 |
14261 |
42.7 |
-12.6 |
0.000 |
0 |
0 |
0 |
1.000 |
36 |
|
[CA]D:402 |
1 |
1 |
85 |
f |
D |
x,y,z |
1_555 |
5 |
5 |
14425 |
38.9 |
-11.4 |
0.000 |
0 |
0 |
0 |
1.000 |
37 |
|
[CA]C:402 |
1 |
1 |
85 |
f |
C |
x,y,z |
1_555 |
6 |
6 |
14254 |
38.5 |
-11.4 |
0.000 |
0 |
0 |
0 |
1.000 |
38 |
|
[CA]B:402 |
1 |
1 |
85 |
f |
B |
x,y,z |
1_555 |
4 |
4 |
14464 |
37.7 |
-11.2 |
0.000 |
0 |
0 |
0 |
1.000 |
Average: |
39.5 |
-11.6 |
0.000 |
0 |
0 |
0 |
1.000 |
31 |
39 |
|
B |
4 |
3 |
14464 |
◊ |
C |
x-1,y,z |
1_455 |
7 |
4 |
14254 |
41.8 |
1.4 |
0.848 |
0 |
2 |
0 |
0.000 |
32 |
40 |
|
A |
7 |
3 |
14261 |
◊ |
[CL]B:405 |
-x,y-1/2,-z+1/2 |
3_545 |
1 |
1 |
125 |
36.6 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.103 |
33 |
41 |
|
[CL]B:405 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
14464 |
31.2 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.000 |
34 |
42 |
|
B |
4 |
1 |
14464 |
x |
B |
-x,y-1/2,-z+1/2 |
3_545 |
4 |
2 |
14464 |
29.9 |
0.3 |
0.564 |
0 |
0 |
0 |
0.000 |
35 |
43 |
|
[PDO]A:404 |
4 |
1 |
211 |
f |
B |
x,y,z |
1_555 |
4 |
3 |
14464 |
27.1 |
0.3 |
0.625 |
0 |
0 |
0 |
0.000 |
36 |
44 |
|
A |
4 |
2 |
14261 |
x |
A |
-x+1,y-1/2,-z+1/2 |
3_645 |
4 |
2 |
14261 |
21.7 |
0.2 |
0.655 |
0 |
0 |
0 |
0.000 |
37 |
45 |
|
[PDO]B:403 |
2 |
1 |
211 |
f |
[CA]B:402 |
x,y,z |
1_555 |
1 |
1 |
85 |
10.5 |
-1.4 |
0.000 |
0 |
0 |
0 |
0.072 |
38 |
46 |
|
[PDO]C:406 |
1 |
1 |
212 |
f |
[CA]C:402 |
x,y,z |
1_555 |
1 |
1 |
85 |
9.5 |
-1.3 |
0.000 |
0 |
0 |
0 |
0.033 |
39 |
47 |
|
[PEG]D:404 |
2 |
1 |
259 |
f |
[CA]D:402 |
x,y,z |
1_555 |
1 |
1 |
85 |
9.5 |
-1.4 |
0.000 |
0 |
0 |
0 |
0.068 |
40 |
48 |
|
[CL]A:406 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
14464 |
8.1 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.026 |
41 |
49 |
|
[PDO]C:404 |
1 |
1 |
210 |
f |
[PDO]C:403 |
x,y,z |
1_555 |
1 |
1 |
213 |
6.4 |
0.1 |
1.000 |
0 |
0 |
0 |
0.000 |
|