| ## |
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 |
|
E |
110 |
26 |
5016 |
◊ |
D |
x,y,z |
1_555 |
119 |
38 |
11101 |
1162.9 |
-10.1 |
0.122 |
19 |
5 |
0 |
0.144 |
2 |
|
B |
105 |
26 |
4859 |
◊ |
A |
x,y,z |
1_555 |
127 |
40 |
11099 |
1148.7 |
-10.1 |
0.114 |
19 |
5 |
0 |
0.144 |
| Average: |
1155.8 |
-10.1 |
0.118 |
19 |
5 |
0 |
0.144 |
| 2 |
3 |
|
F |
50 |
16 |
4864 |
◊ |
D |
x,y,z |
1_555 |
66 |
17 |
11101 |
563.4 |
-1.1 |
0.553 |
12 |
7 |
0 |
0.027 |
4 |
|
C |
51 |
16 |
4825 |
◊ |
A |
x,y,z |
1_555 |
62 |
17 |
11099 |
549.6 |
-0.9 |
0.580 |
12 |
8 |
0 |
0.027 |
| Average: |
556.5 |
-1.0 |
0.567 |
12 |
8 |
0 |
0.027 |
| 3 |
5 |
|
D |
46 |
11 |
11101 |
◊ |
A |
x,-y,-z |
2_555 |
46 |
11 |
11099 |
366.7 |
-1.3 |
0.563 |
4 |
0 |
0 |
0.000 |
| 4 |
6 |
|
A |
42 |
14 |
11099 |
◊ |
F |
x-1,y,z |
1_455 |
41 |
11 |
4864 |
364.3 |
1.5 |
0.745 |
6 |
0 |
0 |
0.005 |
7 |
|
C |
42 |
12 |
4825 |
◊ |
D |
x-1,y,z |
1_455 |
40 |
13 |
11101 |
362.6 |
1.7 |
0.776 |
7 |
2 |
0 |
0.005 |
| Average: |
363.5 |
1.6 |
0.761 |
7 |
1 |
0 |
0.005 |
| 5 |
8 |
|
D |
34 |
9 |
11101 |
◊ |
A |
x,y,z |
1_555 |
33 |
9 |
11099 |
263.5 |
1.0 |
0.770 |
5 |
0 |
0 |
0.000 |
| 6 |
9 |
|
D |
27 |
8 |
11101 |
◊ |
D |
x,-y,-z |
2_555 |
27 |
8 |
11101 |
253.9 |
2.1 |
0.860 |
2 |
2 |
0 |
0.000 |
10 |
|
A |
28 |
8 |
11099 |
◊ |
A |
x,-y,-z |
2_555 |
28 |
8 |
11099 |
253.0 |
0.3 |
0.697 |
6 |
2 |
0 |
0.000 |
| Average: |
253.5 |
1.2 |
0.779 |
4 |
2 |
0 |
0.000 |
| 7 |
11 |
|
E |
22 |
6 |
5016 |
◊ |
B |
-x,-y-1/2,z-1/2 |
4_544 |
18 |
7 |
4859 |
195.8 |
-1.3 |
0.364 |
1 |
0 |
0 |
0.000 |
| 8 |
12 |
|
F |
14 |
5 |
4864 |
◊ |
E |
x,y,z |
1_555 |
15 |
7 |
5016 |
155.9 |
1.1 |
0.602 |
0 |
0 |
0 |
0.000 |
13 |
|
C |
14 |
4 |
4825 |
◊ |
B |
x,y,z |
1_555 |
16 |
7 |
4859 |
144.6 |
0.7 |
0.537 |
1 |
0 |
0 |
0.000 |
| Average: |
150.3 |
0.9 |
0.570 |
1 |
0 |
0 |
0.000 |
| 9 |
14 |
|
C |
21 |
8 |
4825 |
◊ |
F |
x-1,-y-1,-z |
2_445 |
16 |
7 |
4864 |
145.8 |
-0.2 |
0.546 |
1 |
0 |
0 |
0.000 |
| 10 |
15 |
|
E |
16 |
5 |
5016 |
◊ |
A |
-x,-y-1/2,z-1/2 |
4_544 |
18 |
8 |
11099 |
143.3 |
0.1 |
0.605 |
1 |
0 |
0 |
0.000 |
| 11 |
16 |
|
B |
12 |
4 |
4859 |
◊ |
F |
x-1,-y-1,-z |
2_445 |
14 |
4 |
4864 |
132.2 |
1.8 |
0.756 |
4 |
2 |
0 |
0.000 |
| 12 |
17 |
|
[K]A:301 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
22 |
10 |
11099 |
120.8 |
-90.8 |
0.000 |
0 |
0 |
0 |
0.689 |
18 |
|
[K]D:301 |
1 |
1 |
216 |
f |
D |
x,y,z |
1_555 |
23 |
10 |
11101 |
120.7 |
-92.1 |
0.000 |
0 |
0 |
0 |
0.689 |
| Average: |
120.7 |
-91.5 |
0.000 |
0 |
0 |
0 |
0.689 |
| 13 |
19 |
|
[K]A:302 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
13 |
6 |
11099 |
117.0 |
-71.6 |
0.000 |
0 |
0 |
0 |
0.257 |
| 14 |
20 |
|
[EDO]C:104 |
4 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
16 |
7 |
4825 |
110.6 |
2.3 |
0.334 |
4 |
0 |
0 |
0.000 |
| 15 |
21 |
|
A |
16 |
7 |
11099 |
◊ |
D |
x-1,y,z |
1_455 |
17 |
7 |
11101 |
110.0 |
2.4 |
0.930 |
2 |
0 |
0 |
0.000 |
| 16 |
22 |
|
[EDO]A:305 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
21 |
8 |
11099 |
109.8 |
3.4 |
0.451 |
1 |
0 |
0 |
0.000 |
| 17 |
23 |
|
[EDO]D:306 |
4 |
1 |
183 |
f |
D |
x,y,z |
1_555 |
19 |
8 |
11101 |
109.2 |
4.0 |
0.661 |
3 |
0 |
0 |
0.000 |
| 18 |
24 |
|
[EDO]F:102 |
4 |
1 |
184 |
◊ |
F |
x,y,z |
1_555 |
15 |
6 |
4864 |
102.5 |
3.1 |
0.433 |
3 |
0 |
0 |
0.000 |
| 19 |
25 |
|
[EDO]D:304 |
4 |
1 |
183 |
f |
D |
x,y,z |
1_555 |
13 |
6 |
11101 |
101.1 |
2.9 |
0.499 |
3 |
0 |
0 |
0.000 |
| 20 |
26 |
|
[EDO]C:102 |
4 |
1 |
183 |
f |
C |
x,y,z |
1_555 |
18 |
6 |
4825 |
99.2 |
2.6 |
0.391 |
1 |
0 |
0 |
0.000 |
| 21 |
27 |
|
[EDO]A:306 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
13 |
7 |
11099 |
95.9 |
2.1 |
0.332 |
1 |
0 |
0 |
0.000 |
| 22 |
28 |
|
[EDO]B:102 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
16 |
7 |
11099 |
90.5 |
1.7 |
0.212 |
2 |
0 |
0 |
0.000 |
| 23 |
29 |
|
[EDO]D:307 |
4 |
1 |
184 |
◊ |
A |
x,-y,-z |
2_555 |
12 |
6 |
11099 |
90.2 |
2.4 |
0.427 |
1 |
0 |
0 |
0.000 |
| 24 |
30 |
|
[EDO]D:305 |
4 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
13 |
7 |
11101 |
87.3 |
1.4 |
0.180 |
0 |
0 |
0 |
0.000 |
| 25 |
31 |
|
A |
19 |
6 |
11099 |
f |
[K]D:303 |
x-1,y,z |
1_455 |
1 |
1 |
216 |
84.6 |
-53.3 |
0.000 |
0 |
0 |
0 |
0.191 |
| 26 |
32 |
|
[EDO]B:103 |
4 |
1 |
183 |
◊ |
B |
x,y,z |
1_555 |
12 |
5 |
4859 |
81.2 |
1.7 |
0.187 |
1 |
0 |
0 |
0.000 |
| 27 |
33 |
|
[BR]A:303 |
1 |
1 |
133 |
f |
A |
x,y,z |
1_555 |
15 |
5 |
11099 |
76.7 |
-10.3 |
0.000 |
0 |
0 |
0 |
0.037 |
| 28 |
34 |
|
[K]D:302 |
1 |
1 |
216 |
◊ |
D |
x,y,z |
1_555 |
14 |
5 |
11101 |
75.3 |
-46.2 |
0.000 |
0 |
0 |
0 |
0.178 |
35 |
|
A |
12 |
4 |
11099 |
◊ |
[K]D:302 |
x-1,y,z |
1_455 |
1 |
1 |
216 |
74.8 |
-46.4 |
0.000 |
0 |
0 |
0 |
0.178 |
| Average: |
75.1 |
-46.3 |
0.000 |
0 |
0 |
0 |
0.178 |
| 29 |
36 |
|
[EDO]A:304 |
4 |
1 |
184 |
◊ |
D |
x-1,y,z |
1_455 |
17 |
5 |
11101 |
75.1 |
2.5 |
0.509 |
3 |
0 |
0 |
0.000 |
| 30 |
37 |
|
[EDO]C:103 |
4 |
1 |
184 |
◊ |
C |
x,y,z |
1_555 |
8 |
3 |
4825 |
73.5 |
1.6 |
0.204 |
0 |
0 |
0 |
0.000 |
| 31 |
38 |
|
[EDO]F:103 |
4 |
1 |
184 |
f |
F |
x,y,z |
1_555 |
7 |
3 |
4864 |
71.9 |
0.6 |
0.364 |
1 |
0 |
0 |
0.000 |
| 32 |
39 |
|
[BR]F:101 |
1 |
1 |
133 |
f |
F |
x,y,z |
1_555 |
13 |
4 |
4864 |
71.7 |
-10.1 |
0.000 |
0 |
0 |
0 |
0.108 |
40 |
|
[BR]B:101 |
1 |
1 |
133 |
f |
B |
x,y,z |
1_555 |
16 |
6 |
4859 |
70.0 |
-9.8 |
0.000 |
0 |
0 |
0 |
0.108 |
| Average: |
70.8 |
-9.9 |
0.000 |
0 |
0 |
0 |
0.108 |
| 33 |
41 |
|
[EDO]B:103 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
7 |
4 |
11099 |
66.3 |
1.3 |
0.482 |
1 |
0 |
0 |
0.000 |
| 34 |
42 |
|
[CL]A:308 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
13 |
6 |
11099 |
62.3 |
-8.2 |
0.000 |
0 |
0 |
0 |
0.064 |
43 |
|
[CL]D:308 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
13 |
5 |
11101 |
61.5 |
-8.6 |
0.000 |
0 |
0 |
0 |
0.064 |
| Average: |
61.9 |
-8.4 |
0.000 |
0 |
0 |
0 |
0.064 |
| 35 |
44 |
|
[EDO]A:307 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
8 |
3 |
11099 |
52.5 |
0.9 |
0.462 |
0 |
0 |
0 |
0.000 |
| 36 |
45 |
|
[BR]C:101 |
1 |
1 |
133 |
f |
C |
x,y,z |
1_555 |
10 |
3 |
4825 |
49.1 |
-6.6 |
0.000 |
0 |
0 |
0 |
0.169 |
| 37 |
46 |
|
[K]D:303 |
1 |
1 |
216 |
◊ |
D |
x,y,z |
1_555 |
6 |
4 |
11101 |
45.1 |
-25.8 |
0.000 |
0 |
0 |
0 |
0.050 |
| 38 |
47 |
|
[EDO]A:307 |
4 |
1 |
185 |
◊ |
D |
x-1,y,z |
1_455 |
8 |
4 |
11101 |
44.5 |
0.8 |
0.517 |
0 |
0 |
0 |
0.000 |
| 39 |
48 |
|
[EDO]C:103 |
4 |
1 |
184 |
f |
D |
x-1,y,z |
1_455 |
6 |
2 |
11101 |
44.3 |
0.4 |
0.463 |
0 |
0 |
0 |
0.000 |
| 40 |
49 |
|
[EDO]B:102 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
6 |
2 |
4859 |
44.2 |
1.2 |
0.703 |
1 |
0 |
0 |
0.000 |
| 41 |
50 |
|
[EDO]A:304 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
5 |
3 |
11099 |
41.5 |
0.5 |
0.713 |
1 |
0 |
0 |
0.000 |
| 42 |
51 |
|
[BR]C:101 |
1 |
1 |
133 |
◊ |
A |
x,y,z |
1_555 |
6 |
3 |
11099 |
40.6 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.013 |
| 43 |
52 |
|
A |
3 |
2 |
11099 |
◊ |
[EDO]F:103 |
x-1,y,z |
1_455 |
4 |
1 |
184 |
37.3 |
0.2 |
0.413 |
0 |
0 |
0 |
0.000 |
| 44 |
53 |
|
[CL]A:308 |
1 |
1 |
125 |
f |
[K]A:301 |
x,y,z |
1_555 |
1 |
1 |
216 |
36.9 |
-20.5 |
0.000 |
0 |
0 |
0 |
0.074 |
| 45 |
54 |
|
[CL]D:308 |
1 |
1 |
125 |
f |
[K]D:301 |
x,y,z |
1_555 |
1 |
1 |
216 |
36.4 |
-20.2 |
0.000 |
0 |
0 |
0 |
0.151 |
| 46 |
55 |
|
[EDO]A:307 |
3 |
1 |
185 |
f |
[K]D:303 |
x-1,y,z |
1_455 |
1 |
1 |
216 |
35.5 |
-15.0 |
0.000 |
0 |
0 |
0 |
0.054 |
| 47 |
56 |
|
[EDO]D:307 |
2 |
1 |
184 |
f |
D |
x,y,z |
1_555 |
4 |
2 |
11101 |
32.4 |
0.9 |
0.883 |
1 |
0 |
0 |
0.000 |
| 48 |
57 |
|
C |
5 |
2 |
4825 |
◊ |
D |
x-1,-y-1,-z |
2_445 |
2 |
1 |
11101 |
31.3 |
1.3 |
0.827 |
2 |
0 |
0 |
0.000 |
| 49 |
58 |
|
[EDO]A:307 |
3 |
1 |
185 |
◊ |
[EDO]A:304 |
x,y,z |
1_555 |
4 |
1 |
184 |
30.5 |
1.3 |
1.000 |
0 |
0 |
0 |
0.000 |
| 50 |
59 |
|
[BR]C:101 |
1 |
1 |
133 |
◊ |
B |
x,y,z |
1_555 |
5 |
2 |
4859 |
27.3 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.008 |
| 51 |
60 |
|
[K]D:303 |
1 |
1 |
216 |
◊ |
[K]D:302 |
x,y,z |
1_555 |
1 |
1 |
216 |
20.0 |
-20.0 |
0.000 |
0 |
0 |
0 |
0.038 |
| 52 |
61 |
|
[EDO]F:102 |
1 |
1 |
184 |
◊ |
D |
x,y,z |
1_555 |
1 |
1 |
11101 |
14.2 |
0.3 |
0.927 |
0 |
0 |
0 |
0.000 |
| 53 |
62 |
|
A |
2 |
1 |
11099 |
f |
[EDO]F:102 |
x-1,y,z |
1_455 |
3 |
1 |
184 |
11.4 |
0.0 |
0.547 |
0 |
0 |
0 |
0.000 |
| 54 |
63 |
|
[K]A:302 |
1 |
1 |
216 |
◊ |
D |
x,y,z |
1_555 |
2 |
1 |
11101 |
9.0 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.000 |
| 55 |
64 |
|
[EDO]A:304 |
1 |
1 |
184 |
◊ |
[K]D:303 |
x-1,y,z |
1_455 |
1 |
1 |
216 |
8.8 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.008 |
| 56 |
65 |
|
E |
1 |
1 |
5016 |
◊ |
C |
-x,-y-1/2,z-1/2 |
4_544 |
1 |
1 |
4825 |
8.4 |
0.4 |
0.843 |
0 |
0 |
0 |
0.000 |
| 57 |
66 |
|
[EDO]A:304 |
2 |
1 |
184 |
f |
[K]D:302 |
x-1,y,z |
1_455 |
1 |
1 |
216 |
8.2 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.100 |
| 58 |
67 |
|
[EDO]F:103 |
2 |
1 |
184 |
◊ |
[EDO]F:102 |
x,y,z |
1_555 |
1 |
1 |
184 |
4.7 |
0.2 |
1.000 |
0 |
0 |
0 |
0.000 |
|