## |
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 |
136 |
40 |
14114 |
◊ |
B |
x,y,z |
1_555 |
134 |
40 |
14253 |
1377.5 |
-7.9 |
0.271 |
14 |
18 |
0 |
0.153 |
2 |
|
C |
138 |
41 |
14198 |
◊ |
A |
x,y,z |
1_555 |
143 |
41 |
14173 |
1375.0 |
-8.4 |
0.258 |
10 |
18 |
0 |
0.153 |
Average: |
1376.2 |
-8.2 |
0.264 |
12 |
18 |
0 |
0.153 |
2 |
3 |
|
C |
97 |
30 |
14198 |
◊ |
B |
x,y,z |
1_555 |
100 |
32 |
14253 |
900.0 |
1.3 |
0.725 |
6 |
2 |
0 |
0.017 |
4 |
|
D |
93 |
28 |
14114 |
◊ |
A |
x,y,z |
1_555 |
96 |
31 |
14173 |
861.8 |
1.6 |
0.737 |
7 |
3 |
0 |
0.017 |
Average: |
880.9 |
1.4 |
0.731 |
7 |
3 |
0 |
0.017 |
3 |
5 |
|
D |
66 |
19 |
14114 |
◊ |
C |
x,y,z |
1_555 |
67 |
19 |
14198 |
616.9 |
-6.5 |
0.177 |
5 |
6 |
0 |
0.094 |
6 |
|
B |
67 |
18 |
14253 |
◊ |
A |
x,y,z |
1_555 |
65 |
19 |
14173 |
610.1 |
-6.6 |
0.175 |
6 |
8 |
0 |
0.094 |
Average: |
613.5 |
-6.5 |
0.176 |
6 |
7 |
0 |
0.094 |
4 |
7 |
|
A |
39 |
14 |
14173 |
◊ |
B |
-x+1,y-1/2,-z+1/2 |
3_645 |
42 |
16 |
14253 |
361.5 |
-1.0 |
0.502 |
2 |
5 |
0 |
0.000 |
5 |
8 |
|
A |
33 |
12 |
14173 |
◊ |
B |
x-1,y,z |
1_455 |
34 |
10 |
14253 |
288.1 |
-0.4 |
0.388 |
1 |
2 |
0 |
0.000 |
6 |
9 |
|
C |
25 |
6 |
14198 |
x |
C |
x-1/2,-y+1/2,-z |
4_455 |
24 |
8 |
14198 |
208.0 |
-3.2 |
0.194 |
0 |
2 |
0 |
0.000 |
7 |
10 |
|
[PDO]A:408 |
5 |
1 |
207 |
f |
A |
x,y,z |
1_555 |
18 |
8 |
14173 |
135.5 |
3.4 |
0.359 |
0 |
0 |
0 |
0.000 |
8 |
11 |
|
[PDO]A:407 |
5 |
1 |
211 |
f |
A |
x,y,z |
1_555 |
25 |
9 |
14173 |
135.0 |
3.7 |
0.307 |
0 |
0 |
0 |
0.000 |
9 |
12 |
|
[MLI]A:401 |
7 |
1 |
224 |
f |
A |
x,y,z |
1_555 |
22 |
12 |
14173 |
133.9 |
6.4 |
0.681 |
6 |
0 |
0 |
0.000 |
13 |
|
[MLI]B:401 |
7 |
1 |
224 |
f |
B |
x,y,z |
1_555 |
20 |
12 |
14253 |
133.3 |
6.4 |
0.748 |
6 |
0 |
0 |
0.000 |
14 |
|
[MLI]D:401 |
7 |
1 |
225 |
f |
D |
x,y,z |
1_555 |
20 |
12 |
14114 |
133.3 |
6.4 |
0.682 |
7 |
0 |
0 |
0.000 |
Average: |
133.5 |
6.4 |
0.704 |
6 |
0 |
0 |
0.000 |
10 |
15 |
|
[PDO]D:403 |
5 |
1 |
209 |
f |
D |
x,y,z |
1_555 |
25 |
9 |
14114 |
133.8 |
4.4 |
0.430 |
2 |
0 |
0 |
0.000 |
11 |
16 |
|
[MLI]C:401 |
7 |
1 |
223 |
f |
C |
x,y,z |
1_555 |
21 |
12 |
14198 |
133.2 |
6.4 |
0.756 |
6 |
0 |
0 |
0.000 |
12 |
17 |
|
[PDO]B:406 |
5 |
1 |
211 |
f |
B |
x,y,z |
1_555 |
26 |
10 |
14253 |
129.5 |
4.1 |
0.328 |
1 |
0 |
0 |
0.000 |
13 |
18 |
|
[PDO]C:408 |
5 |
1 |
209 |
f |
C |
x,y,z |
1_555 |
21 |
9 |
14198 |
128.5 |
3.9 |
0.431 |
1 |
0 |
0 |
0.000 |
14 |
19 |
|
[PDO]A:404 |
5 |
1 |
210 |
f |
A |
x,y,z |
1_555 |
24 |
10 |
14173 |
128.2 |
4.2 |
0.410 |
2 |
0 |
0 |
0.000 |
15 |
20 |
|
[PDO]B:405 |
5 |
1 |
209 |
f |
B |
x,y,z |
1_555 |
22 |
8 |
14253 |
127.9 |
4.1 |
0.397 |
0 |
0 |
0 |
0.000 |
16 |
21 |
|
[PDO]C:405 |
5 |
1 |
213 |
f |
C |
x,y,z |
1_555 |
28 |
10 |
14198 |
125.6 |
4.7 |
0.483 |
2 |
0 |
0 |
0.000 |
17 |
22 |
|
[PDO]D:405 |
5 |
1 |
211 |
f |
D |
x,y,z |
1_555 |
28 |
11 |
14114 |
125.1 |
4.6 |
0.483 |
1 |
0 |
0 |
0.000 |
18 |
23 |
|
[PDO]C:406 |
5 |
1 |
210 |
f |
C |
x,y,z |
1_555 |
20 |
9 |
14198 |
122.9 |
3.6 |
0.333 |
0 |
0 |
0 |
0.000 |
19 |
24 |
|
[PDO]B:404 |
5 |
1 |
209 |
f |
B |
x,y,z |
1_555 |
20 |
7 |
14253 |
121.8 |
3.9 |
0.332 |
1 |
0 |
0 |
0.000 |
20 |
25 |
|
[PDO]D:404 |
5 |
1 |
205 |
f |
D |
x,y,z |
1_555 |
20 |
8 |
14114 |
119.9 |
3.4 |
0.324 |
1 |
0 |
0 |
0.000 |
21 |
26 |
|
[PDO]C:403 |
5 |
1 |
210 |
f |
C |
x,y,z |
1_555 |
18 |
7 |
14198 |
113.1 |
2.9 |
0.206 |
1 |
0 |
0 |
0.000 |
22 |
27 |
|
B |
15 |
8 |
14253 |
◊ |
A |
-x+1,y-1/2,-z+1/2 |
3_645 |
18 |
10 |
14173 |
112.6 |
0.7 |
0.695 |
0 |
0 |
0 |
0.000 |
23 |
28 |
|
[PDO]A:403 |
5 |
1 |
209 |
◊ |
A |
x,y,z |
1_555 |
18 |
7 |
14173 |
111.4 |
2.6 |
0.113 |
1 |
0 |
0 |
0.000 |
24 |
29 |
|
[PDO]A:405 |
5 |
1 |
212 |
f |
A |
x,y,z |
1_555 |
17 |
6 |
14173 |
104.0 |
3.1 |
0.076 |
0 |
0 |
0 |
0.000 |
25 |
30 |
|
[PDO]B:409 |
5 |
1 |
209 |
◊ |
B |
x,y,z |
1_555 |
13 |
5 |
14253 |
101.0 |
2.3 |
0.113 |
0 |
0 |
0 |
0.000 |
26 |
31 |
|
D |
15 |
5 |
14114 |
x |
D |
x-1/2,-y-1/2,-z |
4_445 |
14 |
5 |
14114 |
97.8 |
-0.9 |
0.449 |
0 |
1 |
0 |
0.000 |
27 |
32 |
|
[PDO]A:409 |
5 |
1 |
208 |
f |
A |
x,y,z |
1_555 |
16 |
6 |
14173 |
91.2 |
3.5 |
0.179 |
0 |
0 |
0 |
0.000 |
28 |
33 |
|
[PDO]A:410 |
5 |
1 |
209 |
f |
A |
x,y,z |
1_555 |
14 |
7 |
14173 |
89.6 |
1.4 |
0.132 |
0 |
0 |
0 |
0.000 |
29 |
34 |
|
[PDO]C:404 |
5 |
1 |
210 |
◊ |
C |
x,y,z |
1_555 |
15 |
8 |
14198 |
89.5 |
1.9 |
0.123 |
0 |
0 |
0 |
0.000 |
30 |
35 |
|
[PDO]B:407 |
5 |
1 |
210 |
◊ |
B |
x,y,z |
1_555 |
16 |
8 |
14253 |
89.0 |
1.9 |
0.129 |
0 |
0 |
0 |
0.000 |
31 |
36 |
|
[PDO]B:407 |
5 |
1 |
210 |
f |
D |
x,y,z |
1_555 |
18 |
6 |
14114 |
87.9 |
1.6 |
0.090 |
1 |
0 |
0 |
0.000 |
32 |
37 |
|
[PDO]C:404 |
5 |
1 |
210 |
f |
A |
x,y,z |
1_555 |
15 |
6 |
14173 |
87.0 |
1.7 |
0.087 |
1 |
0 |
0 |
0.000 |
33 |
38 |
|
D |
9 |
2 |
14114 |
◊ |
A |
-x+1,y-1/2,-z+1/2 |
3_645 |
13 |
4 |
14173 |
84.8 |
-1.2 |
0.344 |
0 |
0 |
0 |
0.000 |
39 |
|
B |
8 |
5 |
14253 |
◊ |
C |
-x+1,y-1/2,-z+1/2 |
3_645 |
13 |
4 |
14198 |
75.4 |
-0.3 |
0.556 |
0 |
0 |
0 |
0.000 |
Average: |
80.1 |
-0.7 |
0.450 |
0 |
0 |
0 |
0.000 |
34 |
40 |
|
[PDO]B:408 |
5 |
1 |
207 |
◊ |
B |
x,y,z |
1_555 |
13 |
3 |
14253 |
80.6 |
2.6 |
0.085 |
1 |
0 |
0 |
0.000 |
35 |
41 |
|
[PDO]C:409 |
5 |
1 |
211 |
◊ |
A |
x,y,z |
1_555 |
13 |
5 |
14173 |
79.2 |
2.9 |
0.000 |
0 |
0 |
0 |
0.000 |
36 |
42 |
|
[PDO]C:409 |
5 |
1 |
211 |
f |
C |
x,y,z |
1_555 |
13 |
6 |
14198 |
78.7 |
2.6 |
0.867 |
1 |
0 |
0 |
0.000 |
37 |
43 |
|
[PDO]C:407 |
5 |
1 |
209 |
◊ |
C |
x,y,z |
1_555 |
11 |
6 |
14198 |
77.6 |
1.6 |
0.625 |
0 |
0 |
0 |
0.000 |
38 |
44 |
|
[PDO]A:406 |
5 |
1 |
209 |
◊ |
B |
-x+1,y-1/2,-z+1/2 |
3_645 |
14 |
4 |
14253 |
77.5 |
1.8 |
0.069 |
0 |
0 |
0 |
0.000 |
39 |
45 |
|
A |
9 |
3 |
14173 |
x |
A |
-x,y-1/2,-z+1/2 |
3_545 |
10 |
4 |
14173 |
77.3 |
-0.1 |
0.527 |
0 |
0 |
0 |
0.000 |
40 |
46 |
|
[CL]B:403 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
14 |
6 |
14253 |
61.3 |
-7.7 |
0.000 |
0 |
0 |
0 |
0.165 |
41 |
47 |
|
A |
10 |
4 |
14173 |
f |
[PDO]B:409 |
-x+1,y-1/2,-z+1/2 |
3_645 |
4 |
1 |
209 |
57.5 |
1.1 |
0.604 |
0 |
0 |
0 |
0.000 |
42 |
48 |
|
[PDO]A:410 |
4 |
1 |
209 |
◊ |
D |
x,y,z |
1_555 |
9 |
3 |
14114 |
56.2 |
1.7 |
0.210 |
0 |
0 |
0 |
0.000 |
43 |
49 |
|
[PDO]A:406 |
5 |
1 |
209 |
f |
A |
x,y,z |
1_555 |
8 |
2 |
14173 |
56.1 |
2.3 |
0.909 |
0 |
0 |
0 |
0.000 |
44 |
50 |
|
[PDO]B:408 |
3 |
1 |
207 |
f |
D |
x,y,z |
1_555 |
7 |
3 |
14114 |
46.3 |
1.5 |
0.212 |
0 |
0 |
0 |
0.000 |
45 |
51 |
|
[PDO]A:410 |
3 |
1 |
209 |
◊ |
B |
x,y,z |
1_555 |
5 |
4 |
14253 |
42.5 |
1.4 |
0.901 |
0 |
0 |
0 |
0.000 |
46 |
52 |
|
[PDO]A:409 |
4 |
1 |
208 |
◊ |
B |
-x+1,y-1/2,-z+1/2 |
3_645 |
5 |
2 |
14253 |
42.1 |
0.6 |
0.569 |
0 |
0 |
0 |
0.000 |
47 |
53 |
|
[CA]B:402 |
1 |
1 |
85 |
f |
B |
x,y,z |
1_555 |
4 |
4 |
14253 |
38.4 |
-11.4 |
0.000 |
0 |
0 |
0 |
0.243 |
54 |
|
[CA]A:402 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
5 |
5 |
14173 |
37.8 |
-11.2 |
0.000 |
0 |
0 |
0 |
0.243 |
55 |
|
[CA]C:402 |
1 |
1 |
85 |
f |
C |
x,y,z |
1_555 |
5 |
5 |
14198 |
33.0 |
-9.8 |
0.000 |
0 |
0 |
0 |
0.243 |
56 |
|
[CA]D:402 |
1 |
1 |
85 |
f |
D |
x,y,z |
1_555 |
6 |
6 |
14114 |
32.3 |
-9.6 |
0.000 |
0 |
0 |
0 |
0.243 |
Average: |
35.4 |
-10.5 |
0.000 |
0 |
0 |
0 |
0.243 |
48 |
57 |
|
B |
5 |
4 |
14253 |
x |
B |
-x+1,y-1/2,-z+1/2 |
3_645 |
5 |
2 |
14253 |
37.6 |
-0.0 |
0.480 |
0 |
0 |
0 |
0.000 |
49 |
58 |
|
[PDO]A:409 |
3 |
1 |
208 |
f |
[PDO]A:406 |
x,y,z |
1_555 |
3 |
1 |
209 |
32.6 |
1.0 |
1.000 |
1 |
0 |
0 |
0.000 |
50 |
59 |
|
[PDO]C:407 |
2 |
1 |
209 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
14253 |
25.2 |
0.1 |
0.462 |
0 |
0 |
0 |
0.000 |
51 |
60 |
|
[PDO]D:405 |
3 |
1 |
211 |
f |
[CA]D:402 |
x,y,z |
1_555 |
1 |
1 |
85 |
20.9 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.021 |
52 |
61 |
|
[PDO]C:405 |
3 |
1 |
213 |
f |
[CA]C:402 |
x,y,z |
1_555 |
1 |
1 |
85 |
20.3 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.012 |
53 |
62 |
|
B |
1 |
1 |
14253 |
f |
[PDO]A:403 |
-x+1,y-1/2,-z+1/2 |
3_645 |
1 |
1 |
209 |
13.2 |
0.7 |
0.949 |
0 |
0 |
0 |
0.000 |
54 |
63 |
|
[PDO]C:407 |
1 |
1 |
209 |
f |
A |
x,y,z |
1_555 |
2 |
2 |
14173 |
11.0 |
-0.0 |
0.605 |
0 |
0 |
0 |
0.000 |
55 |
64 |
|
[PDO]A:404 |
2 |
1 |
210 |
f |
[CA]A:402 |
x,y,z |
1_555 |
1 |
1 |
85 |
10.7 |
-1.4 |
0.000 |
0 |
0 |
0 |
0.027 |
65 |
|
[PDO]B:406 |
2 |
1 |
211 |
f |
[CA]B:402 |
x,y,z |
1_555 |
1 |
1 |
85 |
9.6 |
-1.3 |
0.000 |
0 |
0 |
0 |
0.027 |
Average: |
10.1 |
-1.3 |
0.000 |
0 |
0 |
0 |
0.027 |
56 |
66 |
|
C |
2 |
1 |
14198 |
◊ |
B |
x-1,y,z |
1_455 |
1 |
1 |
14253 |
10.2 |
-0.3 |
0.281 |
0 |
0 |
0 |
0.000 |
57 |
67 |
|
[PDO]B:406 |
2 |
1 |
211 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
14198 |
3.4 |
0.1 |
0.871 |
0 |
0 |
0 |
0.000 |
|