## |
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 |
|
[V6T]B:104 |
25 |
1 |
637 |
f |
B |
x,y,z |
1_555 |
64 |
10 |
8894 |
364.7 |
-4.3 |
0.705 |
2 |
0 |
0 |
0.016 |
2 |
|
[V6T]C:105 |
25 |
1 |
632 |
f |
C |
x,y,z |
1_555 |
67 |
9 |
8968 |
363.3 |
-4.0 |
0.692 |
2 |
0 |
0 |
0.016 |
3 |
|
[V6T]A:104 |
25 |
1 |
637 |
f |
A |
x,y,z |
1_555 |
65 |
9 |
9136 |
362.5 |
-4.8 |
0.657 |
1 |
0 |
0 |
0.016 |
4 |
|
[V6T]D:104 |
24 |
1 |
633 |
f |
D |
x,y,z |
1_555 |
67 |
13 |
8969 |
357.4 |
-5.0 |
0.641 |
1 |
0 |
0 |
0.016 |
Average: |
362.0 |
-4.5 |
0.673 |
2 |
0 |
0 |
0.016 |
2 |
5 |
|
B |
46 |
10 |
8894 |
◊ |
C |
-x,y-1/2,-z+1/2 |
3_545 |
42 |
8 |
8968 |
329.2 |
-8.6 |
0.864 |
2 |
0 |
0 |
0.007 |
3 |
6 |
|
D |
37 |
6 |
8969 |
◊ |
C |
x-1/2,-y+1/2,-z |
4_455 |
41 |
10 |
8968 |
296.5 |
-9.1 |
0.786 |
1 |
0 |
0 |
0.014 |
4 |
7 |
|
B |
28 |
6 |
8894 |
◊ |
A |
x-1/2,-y-1/2,-z |
4_445 |
27 |
5 |
9136 |
239.7 |
-3.7 |
0.859 |
3 |
0 |
0 |
0.004 |
5 |
8 |
|
A |
28 |
5 |
9136 |
◊ |
D |
-x,y-1/2,-z-1/2 |
3_544 |
29 |
5 |
8969 |
230.7 |
-6.8 |
0.744 |
0 |
0 |
0 |
0.005 |
6 |
9 |
|
D |
22 |
5 |
8969 |
◊ |
B |
x,y,z |
1_555 |
20 |
5 |
8894 |
201.7 |
-4.7 |
0.732 |
0 |
0 |
0 |
0.000 |
10 |
|
C |
22 |
5 |
8968 |
◊ |
A |
x,y,z |
1_555 |
20 |
5 |
9136 |
197.2 |
-4.6 |
0.739 |
0 |
0 |
0 |
0.000 |
Average: |
199.5 |
-4.6 |
0.735 |
0 |
0 |
0 |
0.000 |
7 |
11 |
|
[SPM]C:101 |
9 |
1 |
443 |
f |
A |
x,y,z |
1_555 |
30 |
6 |
9136 |
175.4 |
-3.3 |
0.227 |
1 |
0 |
0 |
0.003 |
8 |
12 |
|
[GTP]A:101 |
16 |
1 |
588 |
cf |
A |
x,y,z |
1_555 |
19 |
3 |
9136 |
154.6 |
0.1 |
0.790 |
3 |
0 |
0 |
0.001 |
13 |
|
[GTP]B:101 |
18 |
1 |
598 |
f |
B |
x,y,z |
1_555 |
20 |
3 |
8894 |
147.7 |
1.2 |
0.843 |
3 |
0 |
0 |
0.001 |
Average: |
151.1 |
0.7 |
0.817 |
3 |
0 |
0 |
0.001 |
9 |
14 |
|
[GTP]D:103 |
17 |
1 |
593 |
cf |
D |
x,y,z |
1_555 |
21 |
3 |
8969 |
151.6 |
0.4 |
0.830 |
3 |
0 |
0 |
0.001 |
10 |
15 |
|
[SPM]C:101 |
11 |
1 |
443 |
◊ |
C |
x,y,z |
1_555 |
25 |
6 |
8968 |
147.1 |
3.1 |
0.550 |
3 |
0 |
0 |
0.000 |
11 |
16 |
|
[GTP]C:102 |
17 |
1 |
594 |
◊ |
C |
x,y,z |
1_555 |
19 |
3 |
8968 |
143.3 |
2.2 |
0.889 |
3 |
0 |
0 |
0.000 |
12 |
17 |
|
[K]B:105 |
1 |
1 |
216 |
f |
B |
x,y,z |
1_555 |
18 |
8 |
8894 |
124.7 |
-94.4 |
0.000 |
0 |
0 |
0 |
0.275 |
18 |
|
[K]D:105 |
1 |
1 |
216 |
f |
D |
x,y,z |
1_555 |
18 |
8 |
8969 |
124.1 |
-91.0 |
0.000 |
0 |
0 |
0 |
0.275 |
19 |
|
[K]C:106 |
1 |
1 |
216 |
f |
C |
x,y,z |
1_555 |
19 |
8 |
8968 |
123.8 |
-90.1 |
0.000 |
0 |
0 |
0 |
0.275 |
20 |
|
[K]A:105 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
20 |
8 |
9136 |
123.6 |
-89.8 |
0.000 |
0 |
0 |
0 |
0.275 |
Average: |
124.1 |
-91.3 |
0.000 |
0 |
0 |
0 |
0.275 |
13 |
21 |
|
[K]A:103 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
25 |
9 |
9136 |
96.3 |
-66.1 |
0.000 |
0 |
0 |
0 |
0.199 |
22 |
|
[K]C:104 |
1 |
1 |
216 |
f |
C |
x,y,z |
1_555 |
21 |
8 |
8968 |
95.6 |
-67.1 |
0.000 |
0 |
0 |
0 |
0.199 |
23 |
|
[K]B:103 |
1 |
1 |
216 |
f |
B |
x,y,z |
1_555 |
23 |
9 |
8894 |
95.4 |
-65.1 |
0.000 |
0 |
0 |
0 |
0.199 |
24 |
|
[K]D:102 |
1 |
1 |
216 |
f |
D |
x,y,z |
1_555 |
21 |
9 |
8969 |
92.1 |
-64.3 |
0.000 |
0 |
0 |
0 |
0.199 |
Average: |
94.9 |
-65.6 |
0.000 |
0 |
0 |
0 |
0.199 |
14 |
25 |
|
[V6T]D:104 |
10 |
1 |
633 |
◊ |
B |
x,y,z |
1_555 |
11 |
2 |
8894 |
94.2 |
-2.3 |
0.615 |
0 |
0 |
0 |
0.000 |
15 |
26 |
|
[GTP]D:103 |
13 |
1 |
593 |
◊ |
B |
-x+1/2,-y,z-1/2 |
2_554 |
14 |
2 |
8894 |
93.8 |
0.3 |
0.708 |
1 |
0 |
0 |
0.000 |
27 |
|
D |
15 |
3 |
8969 |
◊ |
[GTP]B:101 |
-x+1/2,-y,z-1/2 |
2_554 |
13 |
1 |
598 |
84.7 |
1.7 |
0.817 |
0 |
0 |
0 |
0.000 |
28 |
|
[GTP]A:101 |
14 |
1 |
588 |
◊ |
C |
-x-1/2,-y,z-1/2 |
2_454 |
11 |
2 |
8968 |
80.8 |
2.0 |
0.804 |
0 |
0 |
0 |
0.000 |
Average: |
86.4 |
1.3 |
0.776 |
0 |
0 |
0 |
0.000 |
16 |
29 |
|
[GTP]D:103 |
14 |
1 |
593 |
◊ |
[GTP]B:101 |
-x+1/2,-y,z-1/2 |
2_554 |
13 |
1 |
598 |
91.6 |
2.7 |
0.817 |
0 |
0 |
0 |
0.000 |
17 |
30 |
|
[GTP]A:101 |
13 |
1 |
588 |
◊ |
[GTP]C:102 |
-x-1/2,-y,z-1/2 |
2_454 |
14 |
1 |
594 |
91.0 |
2.6 |
0.789 |
0 |
0 |
0 |
0.000 |
18 |
31 |
|
[V6T]B:104 |
6 |
1 |
637 |
◊ |
D |
x,y,z |
1_555 |
10 |
2 |
8969 |
90.2 |
-2.1 |
0.585 |
0 |
0 |
0 |
0.000 |
32 |
|
[V6T]A:104 |
6 |
1 |
637 |
◊ |
C |
x,y,z |
1_555 |
10 |
2 |
8968 |
89.8 |
-0.2 |
0.713 |
0 |
0 |
0 |
0.000 |
33 |
|
[V6T]C:105 |
6 |
1 |
632 |
◊ |
A |
x,y,z |
1_555 |
10 |
2 |
9136 |
89.4 |
-1.6 |
0.632 |
0 |
0 |
0 |
0.000 |
Average: |
89.8 |
-1.3 |
0.644 |
0 |
0 |
0 |
0.000 |
19 |
34 |
|
A |
11 |
2 |
9136 |
◊ |
[GTP]C:102 |
-x-1/2,-y,z-1/2 |
2_454 |
11 |
1 |
594 |
80.5 |
0.1 |
0.597 |
0 |
0 |
0 |
0.000 |
20 |
35 |
|
[K]B:102 |
1 |
1 |
216 |
f |
B |
x,y,z |
1_555 |
5 |
5 |
8894 |
77.2 |
-75.6 |
0.000 |
0 |
0 |
0 |
0.226 |
36 |
|
[K]A:102 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
6 |
5 |
9136 |
77.1 |
-75.5 |
0.000 |
0 |
0 |
0 |
0.226 |
37 |
|
[K]C:103 |
1 |
1 |
216 |
f |
C |
x,y,z |
1_555 |
6 |
4 |
8968 |
76.9 |
-75.1 |
0.000 |
0 |
0 |
0 |
0.226 |
38 |
|
[K]D:101 |
1 |
1 |
216 |
f |
D |
x,y,z |
1_555 |
6 |
5 |
8969 |
76.5 |
-73.8 |
0.000 |
0 |
0 |
0 |
0.226 |
Average: |
76.9 |
-75.0 |
0.000 |
0 |
0 |
0 |
0.226 |
21 |
39 |
|
D |
10 |
3 |
8969 |
◊ |
B |
-x-1/2,-y,z-1/2 |
2_454 |
10 |
3 |
8894 |
71.8 |
-4.2 |
0.483 |
0 |
0 |
0 |
0.004 |
40 |
|
A |
9 |
2 |
9136 |
◊ |
C |
-x+1/2,-y,z-1/2 |
2_554 |
8 |
3 |
8968 |
48.7 |
-1.5 |
0.668 |
0 |
0 |
0 |
0.004 |
Average: |
60.3 |
-2.9 |
0.575 |
0 |
0 |
0 |
0.004 |
22 |
41 |
|
[CL]D:107 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
13 |
3 |
8969 |
63.1 |
-7.6 |
0.000 |
0 |
0 |
0 |
0.012 |
23 |
42 |
|
[V6T]B:104 |
5 |
1 |
637 |
f |
[K]B:103 |
x,y,z |
1_555 |
1 |
1 |
216 |
54.1 |
-23.8 |
0.000 |
0 |
0 |
0 |
0.070 |
43 |
|
[V6T]D:104 |
6 |
1 |
633 |
f |
[K]D:102 |
x,y,z |
1_555 |
1 |
1 |
216 |
54.0 |
-23.6 |
0.000 |
0 |
0 |
0 |
0.070 |
44 |
|
[V6T]A:104 |
5 |
1 |
637 |
f |
[K]A:103 |
x,y,z |
1_555 |
1 |
1 |
216 |
53.8 |
-23.2 |
0.000 |
0 |
0 |
0 |
0.070 |
45 |
|
[V6T]C:105 |
6 |
1 |
632 |
f |
[K]C:104 |
x,y,z |
1_555 |
1 |
1 |
216 |
52.1 |
-22.5 |
0.000 |
0 |
0 |
0 |
0.070 |
Average: |
53.5 |
-23.3 |
0.000 |
0 |
0 |
0 |
0.070 |
24 |
46 |
|
[MG]D:106 |
1 |
1 |
98 |
f |
[GTP]D:103 |
x,y,z |
1_555 |
6 |
1 |
593 |
47.4 |
-6.8 |
0.000 |
0 |
0 |
0 |
0.010 |
25 |
47 |
|
[K]D:102 |
1 |
1 |
216 |
f |
[K]D:101 |
x,y,z |
1_555 |
1 |
1 |
216 |
45.1 |
-45.1 |
0.000 |
0 |
0 |
0 |
0.069 |
26 |
48 |
|
[K]B:103 |
1 |
1 |
216 |
f |
[K]B:102 |
x,y,z |
1_555 |
1 |
1 |
216 |
43.2 |
-43.2 |
0.000 |
0 |
0 |
0 |
0.032 |
27 |
49 |
|
[K]A:103 |
1 |
1 |
216 |
f |
[K]A:102 |
x,y,z |
1_555 |
1 |
1 |
216 |
42.3 |
-42.3 |
0.000 |
0 |
0 |
0 |
0.032 |
28 |
50 |
|
[K]C:104 |
1 |
1 |
216 |
f |
[K]C:103 |
x,y,z |
1_555 |
1 |
1 |
216 |
42.3 |
-42.3 |
0.000 |
0 |
0 |
0 |
0.064 |
29 |
51 |
|
A |
4 |
1 |
9136 |
◊ |
[GTP]D:103 |
-x,y-1/2,-z-1/2 |
3_544 |
3 |
1 |
593 |
40.2 |
-1.6 |
0.416 |
1 |
0 |
0 |
0.002 |
30 |
52 |
|
[MG]A:106 |
1 |
1 |
98 |
f |
[GTP]A:101 |
x,y,z |
1_555 |
6 |
1 |
588 |
32.1 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.004 |
31 |
53 |
|
[CL]D:107 |
1 |
1 |
125 |
◊ |
C |
x-1/2,-y+1/2,-z |
4_455 |
6 |
2 |
8968 |
27.4 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.006 |
32 |
54 |
|
[V6T]D:104 |
6 |
1 |
633 |
f |
[K]D:101 |
x,y,z |
1_555 |
1 |
1 |
216 |
27.2 |
-11.9 |
0.000 |
0 |
0 |
0 |
0.036 |
55 |
|
[V6T]C:105 |
5 |
1 |
632 |
f |
[K]C:103 |
x,y,z |
1_555 |
1 |
1 |
216 |
26.1 |
-12.0 |
0.000 |
0 |
0 |
0 |
0.036 |
56 |
|
[V6T]A:104 |
5 |
1 |
637 |
f |
[K]A:102 |
x,y,z |
1_555 |
1 |
1 |
216 |
25.8 |
-11.5 |
0.000 |
0 |
0 |
0 |
0.036 |
57 |
|
[V6T]B:104 |
5 |
1 |
637 |
f |
[K]B:102 |
x,y,z |
1_555 |
1 |
1 |
216 |
24.8 |
-10.9 |
0.000 |
0 |
0 |
0 |
0.036 |
Average: |
26.0 |
-11.6 |
0.000 |
0 |
0 |
0 |
0.036 |
33 |
58 |
|
[GTP]A:101 |
3 |
1 |
588 |
◊ |
D |
-x,y-1/2,-z-1/2 |
3_544 |
4 |
1 |
8969 |
25.5 |
-1.2 |
0.450 |
0 |
0 |
0 |
0.000 |
34 |
59 |
|
D |
1 |
1 |
8969 |
◊ |
A |
-x+1/2,-y,z-1/2 |
2_554 |
3 |
1 |
9136 |
20.6 |
-0.8 |
0.358 |
1 |
0 |
0 |
0.000 |
35 |
60 |
|
[MG]D:106 |
1 |
1 |
98 |
◊ |
[GTP]B:101 |
-x+1/2,-y,z-1/2 |
2_554 |
4 |
1 |
598 |
20.3 |
-1.9 |
0.000 |
0 |
0 |
0 |
0.000 |
36 |
61 |
|
D |
3 |
1 |
8969 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
9136 |
18.3 |
-1.6 |
0.286 |
0 |
0 |
0 |
0.000 |
62 |
|
C |
3 |
1 |
8968 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
8894 |
14.5 |
-1.4 |
0.301 |
0 |
0 |
0 |
0.000 |
Average: |
16.4 |
-1.5 |
0.293 |
0 |
0 |
0 |
0.000 |
37 |
63 |
|
A |
3 |
1 |
9136 |
◊ |
B |
x-1/2,-y-1/2,-z |
4_445 |
3 |
1 |
8894 |
15.2 |
-1.1 |
0.466 |
0 |
0 |
0 |
0.000 |
38 |
64 |
|
[SPM]C:101 |
2 |
1 |
443 |
f |
[K]A:105 |
x,y,z |
1_555 |
1 |
1 |
216 |
14.4 |
-7.3 |
0.000 |
0 |
0 |
0 |
0.005 |
39 |
65 |
|
C |
3 |
1 |
8968 |
◊ |
D |
x-1/2,-y+1/2,-z |
4_455 |
2 |
1 |
8969 |
13.8 |
-1.0 |
0.415 |
0 |
0 |
0 |
0.000 |
40 |
66 |
|
A |
2 |
1 |
9136 |
◊ |
D |
-x-1/2,-y,z-1/2 |
2_454 |
4 |
2 |
8969 |
13.2 |
-0.4 |
0.498 |
0 |
0 |
0 |
0.000 |
41 |
67 |
|
[GTP]C:102 |
1 |
1 |
594 |
f |
D |
x-1/2,-y+1/2,-z |
4_455 |
2 |
1 |
8969 |
11.0 |
-0.5 |
0.417 |
0 |
0 |
0 |
0.000 |
42 |
68 |
|
A |
2 |
1 |
9136 |
◊ |
[GTP]B:101 |
x-1/2,-y-1/2,-z |
4_445 |
2 |
1 |
598 |
10.0 |
-0.3 |
0.425 |
0 |
0 |
0 |
0.000 |
43 |
69 |
|
B |
1 |
1 |
8894 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
9136 |
7.5 |
-0.8 |
0.222 |
0 |
0 |
0 |
0.000 |
44 |
70 |
|
[MG]D:106 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
2 |
1 |
8969 |
6.3 |
-0.7 |
0.000 |
0 |
0 |
0 |
0.001 |
45 |
71 |
|
[MG]D:106 |
1 |
1 |
98 |
◊ |
B |
-x+1/2,-y,z-1/2 |
2_554 |
1 |
1 |
8894 |
2.0 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.000 |
46 |
72 |
|
[V6T]B:104 |
2 |
1 |
637 |
f |
[K]B:105 |
x,y,z |
1_555 |
1 |
1 |
216 |
1.1 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.000 |
|