## |
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 |
210 |
53 |
11212 |
◊ |
C |
x,y,z |
1_555 |
214 |
55 |
11196 |
1883.4 |
-22.3 |
0.136 |
17 |
0 |
0 |
1.000 |
2 |
|
F |
218 |
56 |
10935 |
◊ |
E |
x,y,z |
1_555 |
208 |
53 |
11386 |
1870.1 |
-22.1 |
0.123 |
18 |
0 |
0 |
1.000 |
3 |
|
B |
207 |
53 |
11340 |
◊ |
A |
x,y,z |
1_555 |
214 |
57 |
10932 |
1868.6 |
-23.3 |
0.094 |
14 |
0 |
0 |
1.000 |
Average: |
1874.1 |
-22.6 |
0.118 |
16 |
0 |
0 |
1.000 |
2 |
4 |
|
C |
107 |
33 |
11196 |
◊ |
B |
x,y,z |
1_555 |
105 |
33 |
11340 |
1048.9 |
-20.4 |
0.013 |
6 |
6 |
0 |
1.000 |
5 |
|
E |
104 |
33 |
11386 |
◊ |
D |
x,y,z |
1_555 |
102 |
33 |
11212 |
1040.1 |
-20.2 |
0.010 |
6 |
6 |
0 |
1.000 |
6 |
|
F |
103 |
33 |
10935 |
◊ |
A |
x,y,z |
1_555 |
102 |
33 |
10932 |
1028.1 |
-20.4 |
0.006 |
6 |
4 |
0 |
1.000 |
Average: |
1039.0 |
-20.3 |
0.009 |
6 |
5 |
0 |
1.000 |
3 |
7 |
|
D |
36 |
11 |
11212 |
◊ |
A |
-x+1,y-1/2,-z |
2_645 |
49 |
14 |
10932 |
383.6 |
-2.4 |
0.549 |
9 |
0 |
0 |
0.000 |
8 |
|
F |
48 |
15 |
10935 |
◊ |
C |
-x+1,y-1/2,-z |
2_645 |
36 |
11 |
11196 |
380.6 |
-2.0 |
0.588 |
9 |
0 |
0 |
0.000 |
Average: |
382.1 |
-2.2 |
0.568 |
9 |
0 |
0 |
0.000 |
4 |
9 |
|
F |
21 |
8 |
10935 |
◊ |
B |
x,y,z |
1_555 |
17 |
4 |
11340 |
194.5 |
2.6 |
0.822 |
5 |
4 |
0 |
0.036 |
10 |
|
C |
18 |
6 |
11196 |
◊ |
A |
x,y,z |
1_555 |
17 |
4 |
10932 |
189.9 |
2.1 |
0.838 |
6 |
4 |
0 |
0.036 |
11 |
|
D |
17 |
4 |
11212 |
◊ |
B |
x,y,z |
1_555 |
20 |
7 |
11340 |
187.3 |
1.9 |
0.837 |
5 |
4 |
0 |
0.036 |
12 |
|
F |
16 |
4 |
10935 |
◊ |
D |
x,y,z |
1_555 |
20 |
6 |
11212 |
182.6 |
1.8 |
0.850 |
7 |
4 |
0 |
0.036 |
13 |
|
E |
16 |
4 |
11386 |
◊ |
A |
x,y,z |
1_555 |
18 |
7 |
10932 |
179.7 |
1.9 |
0.751 |
4 |
4 |
0 |
0.036 |
14 |
|
E |
20 |
7 |
11386 |
◊ |
C |
x,y,z |
1_555 |
16 |
4 |
11196 |
176.3 |
1.7 |
0.762 |
5 |
4 |
0 |
0.036 |
Average: |
185.0 |
2.0 |
0.810 |
5 |
4 |
0 |
0.036 |
5 |
15 |
|
D |
21 |
7 |
11212 |
◊ |
A |
x,y,z-1 |
1_554 |
22 |
6 |
10932 |
181.5 |
0.0 |
0.648 |
2 |
0 |
0 |
0.000 |
16 |
|
F |
22 |
8 |
10935 |
◊ |
C |
x-1,y,z |
1_455 |
21 |
5 |
11196 |
172.7 |
-0.1 |
0.646 |
2 |
0 |
0 |
0.000 |
17 |
|
E |
21 |
5 |
11386 |
◊ |
B |
x-1,y,z-1 |
1_454 |
20 |
8 |
11340 |
171.4 |
-0.2 |
0.633 |
2 |
0 |
0 |
0.000 |
Average: |
175.2 |
-0.1 |
0.643 |
2 |
0 |
0 |
0.000 |
6 |
18 |
|
[TDR]E:301 |
9 |
1 |
261 |
f |
E |
x,y,z |
1_555 |
27 |
12 |
11386 |
162.8 |
0.5 |
0.548 |
3 |
0 |
0 |
0.139 |
19 |
|
[TDR]C:301 |
9 |
1 |
264 |
f |
C |
x,y,z |
1_555 |
27 |
12 |
11196 |
161.3 |
0.5 |
0.547 |
3 |
0 |
0 |
0.139 |
20 |
|
[TDR]B:301 |
9 |
1 |
263 |
f |
B |
x,y,z |
1_555 |
24 |
12 |
11340 |
156.5 |
-0.7 |
0.359 |
3 |
0 |
0 |
0.139 |
21 |
|
[TDR]A:301 |
9 |
1 |
264 |
f |
A |
x,y,z |
1_555 |
27 |
13 |
10932 |
150.3 |
2.0 |
0.645 |
3 |
0 |
0 |
0.139 |
22 |
|
[TDR]F:301 |
9 |
1 |
263 |
f |
F |
x,y,z |
1_555 |
29 |
13 |
10935 |
149.3 |
2.1 |
0.666 |
3 |
0 |
0 |
0.139 |
23 |
|
[TDR]D:301 |
9 |
1 |
265 |
f |
D |
x,y,z |
1_555 |
27 |
12 |
11212 |
147.1 |
0.5 |
0.540 |
3 |
0 |
0 |
0.139 |
Average: |
154.5 |
0.8 |
0.551 |
3 |
0 |
0 |
0.139 |
7 |
24 |
|
[TRS]B:303 |
7 |
1 |
252 |
f |
B |
x,y,z |
1_555 |
22 |
11 |
11340 |
119.7 |
2.3 |
0.219 |
4 |
0 |
0 |
0.000 |
8 |
25 |
|
[GOL]F:304 |
6 |
1 |
220 |
f |
F |
x,y,z |
1_555 |
22 |
9 |
10935 |
111.1 |
-0.8 |
0.477 |
3 |
0 |
0 |
0.117 |
26 |
|
[GOL]C:305 |
6 |
1 |
219 |
f |
C |
x,y,z |
1_555 |
21 |
9 |
11196 |
106.9 |
-1.0 |
0.458 |
1 |
0 |
0 |
0.117 |
27 |
|
[GOL]E:304 |
6 |
1 |
218 |
f |
E |
x,y,z |
1_555 |
19 |
9 |
11386 |
94.5 |
-1.3 |
0.386 |
1 |
0 |
0 |
0.117 |
Average: |
104.1 |
-1.0 |
0.440 |
2 |
0 |
0 |
0.117 |
9 |
28 |
|
[GOL]A:303 |
6 |
1 |
220 |
f |
A |
x,y,z |
1_555 |
21 |
8 |
10932 |
106.5 |
-0.8 |
0.463 |
2 |
0 |
0 |
0.216 |
29 |
|
[GOL]D:302 |
6 |
1 |
219 |
f |
D |
x,y,z |
1_555 |
21 |
9 |
11212 |
105.2 |
-1.0 |
0.452 |
2 |
0 |
0 |
0.216 |
Average: |
105.9 |
-0.9 |
0.458 |
2 |
0 |
0 |
0.216 |
10 |
30 |
|
[EDO]F:302 |
4 |
1 |
186 |
f |
F |
x,y,z |
1_555 |
19 |
8 |
10935 |
104.5 |
3.4 |
0.539 |
2 |
0 |
0 |
0.000 |
11 |
31 |
|
[EDO]C:303 |
4 |
1 |
184 |
◊ |
C |
x,y,z |
1_555 |
20 |
10 |
11196 |
93.8 |
3.0 |
0.501 |
1 |
0 |
0 |
0.000 |
12 |
32 |
|
[EDO]B:302 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
13 |
6 |
11340 |
89.0 |
2.1 |
0.280 |
1 |
0 |
0 |
0.000 |
13 |
33 |
|
[GOL]D:303 |
6 |
1 |
219 |
f |
D |
x,y,z |
1_555 |
14 |
6 |
11212 |
83.2 |
-0.9 |
0.410 |
1 |
0 |
0 |
0.070 |
14 |
34 |
|
C |
11 |
3 |
11196 |
◊ |
A |
x,y,z-1 |
1_554 |
9 |
2 |
10932 |
74.0 |
-0.3 |
0.501 |
0 |
0 |
0 |
0.000 |
35 |
|
E |
10 |
2 |
11386 |
◊ |
C |
x-1,y,z |
1_455 |
9 |
2 |
11196 |
73.3 |
-0.4 |
0.470 |
0 |
0 |
0 |
0.000 |
36 |
|
E |
9 |
2 |
11386 |
◊ |
A |
x-1,y,z-1 |
1_454 |
10 |
2 |
10932 |
72.0 |
-0.4 |
0.460 |
0 |
0 |
0 |
0.000 |
Average: |
73.1 |
-0.4 |
0.477 |
0 |
0 |
0 |
0.000 |
15 |
37 |
|
[GOL]D:303 |
6 |
1 |
219 |
◊ |
C |
x,y,z |
1_555 |
13 |
3 |
11196 |
71.6 |
0.3 |
0.670 |
1 |
0 |
0 |
0.004 |
16 |
38 |
|
[GOL]E:304 |
6 |
1 |
218 |
◊ |
F |
x,y,z |
1_555 |
10 |
4 |
10935 |
70.2 |
-0.1 |
0.599 |
1 |
0 |
0 |
0.041 |
39 |
|
[GOL]C:305 |
6 |
1 |
219 |
◊ |
D |
x,y,z |
1_555 |
8 |
3 |
11212 |
66.0 |
1.1 |
0.669 |
1 |
0 |
0 |
0.041 |
40 |
|
[GOL]F:304 |
4 |
1 |
220 |
◊ |
E |
x,y,z |
1_555 |
9 |
4 |
11386 |
48.9 |
-0.4 |
0.483 |
1 |
0 |
0 |
0.041 |
Average: |
61.7 |
0.2 |
0.584 |
1 |
0 |
0 |
0.041 |
17 |
41 |
|
[EDO]C:304 |
4 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
13 |
3 |
11212 |
68.1 |
1.5 |
0.797 |
1 |
0 |
0 |
0.000 |
18 |
42 |
|
[TRS]B:303 |
4 |
1 |
252 |
◊ |
A |
x,y,z |
1_555 |
10 |
4 |
10932 |
67.5 |
2.6 |
0.312 |
1 |
0 |
0 |
0.000 |
19 |
43 |
|
[EDO]C:304 |
4 |
1 |
185 |
◊ |
C |
x,y,z |
1_555 |
11 |
5 |
11196 |
67.1 |
2.0 |
0.842 |
1 |
0 |
0 |
0.000 |
20 |
44 |
|
[GOL]A:303 |
6 |
1 |
220 |
◊ |
B |
x,y,z |
1_555 |
8 |
4 |
11340 |
66.6 |
0.0 |
0.565 |
1 |
0 |
0 |
0.015 |
45 |
|
[GOL]D:302 |
4 |
1 |
219 |
◊ |
C |
x,y,z |
1_555 |
7 |
3 |
11196 |
42.3 |
0.3 |
0.653 |
1 |
0 |
0 |
0.015 |
Average: |
54.5 |
0.2 |
0.609 |
1 |
0 |
0 |
0.015 |
21 |
46 |
|
[EDO]C:302 |
3 |
1 |
184 |
◊ |
D |
x,y,z |
1_555 |
7 |
3 |
11212 |
61.3 |
1.0 |
0.189 |
0 |
0 |
0 |
0.000 |
22 |
47 |
|
[EDO]E:303 |
4 |
1 |
185 |
◊ |
F |
x,y,z |
1_555 |
8 |
3 |
10935 |
60.5 |
1.0 |
0.557 |
0 |
0 |
0 |
0.000 |
23 |
48 |
|
[EDO]A:302 |
4 |
1 |
183 |
◊ |
B |
x,y,z |
1_555 |
8 |
3 |
11340 |
60.4 |
1.0 |
0.564 |
0 |
0 |
0 |
0.000 |
24 |
49 |
|
[EDO]F:303 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
8 |
3 |
10932 |
59.1 |
0.7 |
0.564 |
0 |
0 |
0 |
0.000 |
50 |
|
[EDO]E:302 |
4 |
1 |
186 |
◊ |
E |
x,y,z |
1_555 |
7 |
2 |
11386 |
58.1 |
0.5 |
0.492 |
0 |
0 |
0 |
0.000 |
Average: |
58.6 |
0.6 |
0.528 |
0 |
0 |
0 |
0.000 |
25 |
51 |
|
[EDO]F:303 |
4 |
1 |
185 |
f |
F |
x,y,z |
1_555 |
7 |
2 |
10935 |
58.8 |
0.8 |
0.550 |
1 |
0 |
0 |
0.000 |
52 |
|
[EDO]E:302 |
4 |
1 |
186 |
f |
D |
x,y,z |
1_555 |
8 |
3 |
11212 |
56.8 |
0.6 |
0.515 |
0 |
0 |
0 |
0.000 |
Average: |
57.8 |
0.7 |
0.533 |
1 |
0 |
0 |
0.000 |
26 |
53 |
|
B |
8 |
3 |
11340 |
◊ |
E |
-x+1,y-1/2,-z |
2_645 |
8 |
3 |
11386 |
54.2 |
-1.4 |
0.302 |
0 |
0 |
0 |
0.000 |
27 |
54 |
|
[EDO]E:303 |
4 |
1 |
185 |
◊ |
E |
x,y,z |
1_555 |
7 |
1 |
11386 |
54.0 |
1.5 |
0.856 |
0 |
0 |
0 |
0.000 |
28 |
55 |
|
[EDO]C:302 |
4 |
1 |
184 |
◊ |
C |
x,y,z |
1_555 |
7 |
1 |
11196 |
52.1 |
1.5 |
0.859 |
1 |
0 |
0 |
0.000 |
29 |
56 |
|
[EDO]A:302 |
4 |
1 |
183 |
◊ |
A |
x,y,z |
1_555 |
7 |
1 |
10932 |
51.9 |
1.5 |
0.850 |
0 |
0 |
0 |
0.000 |
30 |
57 |
|
[NA]E:305 |
1 |
1 |
125 |
◊ |
F |
x,y,z |
1_555 |
8 |
4 |
10935 |
45.8 |
-6.1 |
0.000 |
0 |
0 |
0 |
0.307 |
58 |
|
[NA]C:306 |
1 |
1 |
125 |
◊ |
D |
x,y,z |
1_555 |
8 |
4 |
11212 |
45.4 |
-6.1 |
0.000 |
0 |
0 |
0 |
0.307 |
59 |
|
[NA]A:304 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
8 |
4 |
11340 |
45.3 |
-6.0 |
0.000 |
0 |
0 |
0 |
0.307 |
60 |
|
[NA]C:306 |
1 |
1 |
125 |
◊ |
C |
x,y,z |
1_555 |
8 |
4 |
11196 |
44.8 |
-6.1 |
0.000 |
0 |
0 |
0 |
0.307 |
61 |
|
[NA]E:305 |
1 |
1 |
125 |
◊ |
E |
x,y,z |
1_555 |
8 |
4 |
11386 |
44.7 |
-6.0 |
0.000 |
0 |
0 |
0 |
0.307 |
62 |
|
[NA]A:304 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
8 |
4 |
10932 |
44.7 |
-6.1 |
0.000 |
0 |
0 |
0 |
0.307 |
Average: |
45.1 |
-6.1 |
0.000 |
0 |
0 |
0 |
0.307 |
31 |
63 |
|
[TRS]B:303 |
4 |
1 |
252 |
f |
[TDR]B:301 |
x,y,z |
1_555 |
4 |
1 |
263 |
44.5 |
1.6 |
0.758 |
1 |
0 |
0 |
0.000 |
32 |
64 |
|
[GOL]C:305 |
4 |
1 |
219 |
f |
[TDR]C:301 |
x,y,z |
1_555 |
4 |
1 |
264 |
38.6 |
0.7 |
0.564 |
1 |
0 |
0 |
0.000 |
65 |
|
[GOL]F:304 |
4 |
1 |
220 |
f |
[TDR]F:301 |
x,y,z |
1_555 |
4 |
1 |
263 |
37.1 |
0.7 |
0.595 |
1 |
0 |
0 |
0.000 |
Average: |
37.8 |
0.7 |
0.579 |
1 |
0 |
0 |
0.000 |
33 |
66 |
|
[GOL]E:304 |
4 |
1 |
218 |
f |
[TDR]E:301 |
x,y,z |
1_555 |
4 |
1 |
261 |
37.0 |
0.5 |
0.536 |
1 |
0 |
0 |
0.000 |
34 |
67 |
|
[GOL]A:303 |
4 |
1 |
220 |
f |
[TDR]A:301 |
x,y,z |
1_555 |
4 |
1 |
264 |
36.5 |
0.6 |
0.535 |
1 |
0 |
0 |
0.000 |
68 |
|
[GOL]D:302 |
4 |
1 |
219 |
f |
[TDR]D:301 |
x,y,z |
1_555 |
4 |
1 |
265 |
35.3 |
0.6 |
0.589 |
1 |
0 |
0 |
0.000 |
Average: |
35.9 |
0.6 |
0.562 |
1 |
0 |
0 |
0.000 |
35 |
69 |
|
[EDO]C:303 |
3 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
5 |
4 |
11340 |
29.8 |
0.2 |
0.700 |
0 |
0 |
0 |
0.000 |
36 |
70 |
|
[GOL]D:303 |
3 |
1 |
219 |
f |
[TDR]D:301 |
x,y,z |
1_555 |
5 |
1 |
265 |
29.0 |
0.1 |
0.406 |
0 |
0 |
0 |
0.000 |
37 |
71 |
|
D |
4 |
2 |
11212 |
◊ |
C |
-x+1,y-1/2,-z |
2_645 |
4 |
2 |
11196 |
21.6 |
0.4 |
0.784 |
0 |
0 |
0 |
0.000 |
38 |
72 |
|
C |
4 |
3 |
11196 |
◊ |
E |
-x+1,y-1/2,-z |
2_645 |
7 |
5 |
11386 |
17.6 |
-0.1 |
0.591 |
0 |
0 |
0 |
0.000 |
73 |
|
B |
5 |
3 |
11340 |
◊ |
D |
-x+1,y-1/2,-z |
2_645 |
4 |
2 |
11212 |
15.5 |
0.1 |
0.663 |
0 |
0 |
0 |
0.000 |
Average: |
16.6 |
-0.0 |
0.627 |
0 |
0 |
0 |
0.000 |
39 |
74 |
|
[GOL]D:303 |
2 |
1 |
219 |
f |
[GOL]D:302 |
x,y,z |
1_555 |
1 |
1 |
219 |
17.5 |
0.4 |
0.589 |
1 |
0 |
0 |
0.002 |
40 |
75 |
|
[TDR]B:301 |
3 |
1 |
263 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
10932 |
17.4 |
-0.3 |
0.356 |
0 |
0 |
0 |
0.021 |
76 |
|
[TDR]E:301 |
3 |
1 |
261 |
◊ |
F |
x,y,z |
1_555 |
2 |
1 |
10935 |
15.4 |
-0.3 |
0.322 |
0 |
0 |
0 |
0.021 |
77 |
|
[TDR]A:301 |
3 |
1 |
264 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
11340 |
14.4 |
-0.3 |
0.331 |
0 |
0 |
0 |
0.021 |
78 |
|
[TDR]F:301 |
3 |
1 |
263 |
◊ |
E |
x,y,z |
1_555 |
2 |
1 |
11386 |
13.3 |
-0.3 |
0.351 |
0 |
0 |
0 |
0.021 |
Average: |
15.1 |
-0.3 |
0.340 |
0 |
0 |
0 |
0.021 |
41 |
79 |
|
C |
1 |
1 |
11196 |
◊ |
A |
-x+1,y-1/2,-z |
2_645 |
2 |
1 |
10932 |
13.3 |
-0.2 |
0.323 |
0 |
0 |
0 |
0.000 |
80 |
|
F |
2 |
1 |
10935 |
◊ |
D |
-x+1,y-1/2,-z |
2_645 |
1 |
1 |
11212 |
6.7 |
0.0 |
0.631 |
0 |
0 |
0 |
0.000 |
Average: |
10.0 |
-0.1 |
0.477 |
0 |
0 |
0 |
0.000 |
42 |
81 |
|
[EDO]A:302 |
1 |
1 |
183 |
f |
F |
x,y,z |
1_555 |
1 |
1 |
10935 |
10.4 |
0.3 |
0.932 |
0 |
0 |
0 |
0.000 |
43 |
82 |
|
[EDO]E:303 |
1 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
1 |
1 |
11212 |
9.4 |
0.3 |
0.928 |
0 |
0 |
0 |
0.000 |
44 |
83 |
|
[EDO]C:302 |
2 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
1 |
1 |
11340 |
9.1 |
0.4 |
0.925 |
0 |
0 |
0 |
0.000 |
|