## |
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 |
112 |
29 |
6770 |
◊ |
C |
x,y,z |
1_555 |
119 |
32 |
5852 |
1121.0 |
-16.5 |
0.124 |
13 |
1 |
0 |
1.000 |
2 |
|
H |
114 |
30 |
6844 |
◊ |
G |
x,y,z |
1_555 |
112 |
31 |
6380 |
1112.8 |
-15.5 |
0.206 |
15 |
1 |
0 |
1.000 |
Average: |
1116.9 |
-16.0 |
0.165 |
14 |
1 |
0 |
1.000 |
2 |
3 |
|
G |
111 |
26 |
6380 |
◊ |
F |
x,y,z |
1_555 |
104 |
29 |
9088 |
1087.6 |
-17.1 |
0.104 |
10 |
8 |
0 |
1.000 |
4 |
|
C |
109 |
26 |
5852 |
◊ |
B |
x,y,z |
1_555 |
101 |
29 |
9107 |
1052.8 |
-18.3 |
0.066 |
8 |
7 |
0 |
1.000 |
Average: |
1070.2 |
-17.7 |
0.085 |
9 |
8 |
0 |
1.000 |
3 |
5 |
|
F |
79 |
21 |
9088 |
◊ |
B |
x,y,z |
1_555 |
74 |
19 |
9107 |
745.6 |
-2.3 |
0.693 |
9 |
3 |
0 |
0.000 |
4 |
6 |
|
E |
56 |
13 |
7626 |
◊ |
B |
-x,y-1/2,-z-1/2 |
3_544 |
69 |
20 |
9107 |
593.6 |
-2.3 |
0.673 |
7 |
7 |
0 |
0.000 |
5 |
7 |
|
E |
66 |
18 |
7626 |
◊ |
H |
-x-1/2,-y,z-1/2 |
2_454 |
50 |
13 |
6844 |
540.4 |
3.2 |
0.910 |
11 |
3 |
0 |
0.000 |
6 |
8 |
|
[FWZ]F:301 |
37 |
1 |
1188 |
f |
F |
x,y,z |
1_555 |
61 |
16 |
9088 |
468.2 |
-3.6 |
0.617 |
6 |
0 |
0 |
0.465 |
9 |
|
[FWZ]B:301 |
37 |
1 |
1183 |
f |
B |
x,y,z |
1_555 |
59 |
16 |
9107 |
456.4 |
-4.5 |
0.511 |
7 |
0 |
0 |
0.465 |
Average: |
462.3 |
-4.0 |
0.564 |
7 |
0 |
0 |
0.465 |
7 |
10 |
|
F |
48 |
12 |
9088 |
◊ |
A |
-x-1,y-1/2,-z-1/2 |
3_444 |
40 |
12 |
6816 |
383.2 |
2.6 |
0.852 |
3 |
7 |
0 |
0.000 |
8 |
11 |
|
A |
39 |
13 |
6816 |
◊ |
D |
-x-1/2,-y,z-1/2 |
2_454 |
39 |
13 |
6770 |
371.3 |
0.5 |
0.755 |
8 |
4 |
0 |
0.000 |
9 |
12 |
|
[FWZ]F:301 |
29 |
1 |
1188 |
◊ |
E |
x,y,z |
1_555 |
44 |
18 |
7626 |
353.9 |
-5.0 |
0.448 |
4 |
0 |
0 |
0.000 |
13 |
|
[FWZ]B:301 |
27 |
1 |
1183 |
◊ |
A |
x,y,z |
1_555 |
42 |
17 |
6816 |
348.3 |
-4.7 |
0.418 |
4 |
0 |
0 |
0.000 |
Average: |
351.1 |
-4.8 |
0.433 |
4 |
0 |
0 |
0.000 |
10 |
14 |
|
H |
34 |
13 |
6844 |
◊ |
D |
x-1,y,z |
1_455 |
33 |
11 |
6770 |
329.1 |
-0.6 |
0.669 |
0 |
0 |
0 |
0.000 |
11 |
15 |
|
B |
32 |
8 |
9107 |
◊ |
A |
x,y,z |
1_555 |
37 |
13 |
6816 |
320.3 |
-0.2 |
0.591 |
4 |
0 |
0 |
0.000 |
16 |
|
F |
29 |
7 |
9088 |
◊ |
E |
x,y,z |
1_555 |
33 |
12 |
7626 |
316.9 |
-1.4 |
0.560 |
4 |
0 |
0 |
0.000 |
Average: |
318.6 |
-0.8 |
0.575 |
4 |
0 |
0 |
0.000 |
12 |
17 |
|
H |
33 |
10 |
6844 |
◊ |
B |
x-1/2,-y+1/2,-z |
4_455 |
31 |
7 |
9107 |
285.7 |
0.3 |
0.722 |
3 |
4 |
0 |
0.000 |
13 |
18 |
|
G |
27 |
12 |
6380 |
◊ |
E |
x-1,y,z |
1_455 |
31 |
13 |
7626 |
265.3 |
0.1 |
0.771 |
4 |
1 |
0 |
0.000 |
14 |
19 |
|
D |
20 |
6 |
6770 |
◊ |
B |
x,y,z |
1_555 |
24 |
7 |
9107 |
196.0 |
-3.8 |
0.158 |
0 |
0 |
0 |
0.088 |
20 |
|
H |
17 |
5 |
6844 |
◊ |
F |
x,y,z |
1_555 |
20 |
7 |
9088 |
179.4 |
-4.0 |
0.141 |
0 |
0 |
0 |
0.088 |
Average: |
187.7 |
-3.9 |
0.149 |
0 |
0 |
0 |
0.088 |
15 |
21 |
|
[EPE]B:305 |
14 |
1 |
405 |
◊ |
B |
x,y,z |
1_555 |
25 |
5 |
9107 |
173.1 |
4.5 |
0.067 |
2 |
0 |
0 |
0.000 |
16 |
22 |
|
G |
14 |
3 |
6380 |
◊ |
B |
x,y,z |
1_555 |
21 |
9 |
9107 |
151.7 |
-1.9 |
0.458 |
3 |
0 |
0 |
0.000 |
23 |
|
C |
13 |
4 |
5852 |
◊ |
F |
x,y,z |
1_555 |
21 |
9 |
9088 |
141.3 |
-0.4 |
0.628 |
2 |
1 |
0 |
0.000 |
Average: |
146.5 |
-1.1 |
0.543 |
3 |
1 |
0 |
0.000 |
17 |
24 |
|
B |
16 |
5 |
9107 |
◊ |
D |
-x-1/2,-y,z-1/2 |
2_454 |
12 |
4 |
6770 |
133.4 |
0.3 |
0.713 |
2 |
3 |
0 |
0.000 |
18 |
25 |
|
[EDO]C:201 |
4 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
22 |
8 |
5852 |
114.3 |
2.9 |
0.473 |
1 |
0 |
0 |
0.000 |
19 |
26 |
|
[EDO]B:303 |
4 |
1 |
186 |
◊ |
B |
x,y,z |
1_555 |
18 |
8 |
9107 |
109.4 |
3.2 |
0.516 |
2 |
0 |
0 |
0.000 |
20 |
27 |
|
[EDO]H:201 |
4 |
1 |
184 |
f |
H |
x,y,z |
1_555 |
13 |
5 |
6844 |
90.5 |
2.4 |
0.292 |
3 |
0 |
0 |
0.000 |
21 |
28 |
|
[EDO]D:201 |
4 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
16 |
5 |
6770 |
88.1 |
2.0 |
0.266 |
2 |
0 |
0 |
0.000 |
22 |
29 |
|
[FWZ]B:301 |
21 |
1 |
1183 |
f |
[EDO]A:1502 |
x,y,z |
1_555 |
4 |
1 |
183 |
84.5 |
2.6 |
0.525 |
0 |
0 |
0 |
0.000 |
23 |
30 |
|
[FWZ]F:301 |
21 |
1 |
1188 |
f |
[EDO]E:1501 |
x,y,z |
1_555 |
4 |
1 |
184 |
84.0 |
2.0 |
0.521 |
2 |
0 |
0 |
0.000 |
24 |
31 |
|
[EDO]H:202 |
4 |
1 |
185 |
f |
H |
x,y,z |
1_555 |
10 |
4 |
6844 |
83.5 |
2.4 |
0.295 |
1 |
0 |
0 |
0.000 |
25 |
32 |
|
[EDO]H:203 |
4 |
1 |
185 |
◊ |
H |
x,y,z |
1_555 |
13 |
5 |
6844 |
81.7 |
1.9 |
0.261 |
0 |
0 |
0 |
0.000 |
26 |
33 |
|
[EDO]A:1501 |
4 |
1 |
183 |
◊ |
A |
x,y,z |
1_555 |
14 |
4 |
6816 |
81.2 |
2.4 |
0.287 |
2 |
0 |
0 |
0.000 |
27 |
34 |
|
A |
11 |
5 |
6816 |
◊ |
H |
-x-3/2,-y,z-1/2 |
2_354 |
8 |
4 |
6844 |
81.2 |
0.1 |
0.657 |
1 |
0 |
0 |
0.000 |
28 |
35 |
|
[EDO]F:302 |
4 |
1 |
186 |
f |
F |
x,y,z |
1_555 |
14 |
4 |
9088 |
80.7 |
2.3 |
0.295 |
2 |
0 |
0 |
0.000 |
29 |
36 |
|
[EDO]D:202 |
4 |
1 |
184 |
◊ |
D |
x,y,z |
1_555 |
16 |
4 |
6770 |
73.1 |
1.7 |
0.227 |
0 |
0 |
0 |
0.000 |
30 |
37 |
|
[EDO]G:201 |
4 |
1 |
185 |
◊ |
G |
x,y,z |
1_555 |
11 |
4 |
6380 |
72.1 |
1.3 |
0.796 |
2 |
0 |
0 |
0.000 |
31 |
38 |
|
E |
12 |
5 |
7626 |
f |
[EDO]H:203 |
-x-1/2,-y,z-1/2 |
2_454 |
4 |
1 |
185 |
71.8 |
0.8 |
0.616 |
1 |
0 |
0 |
0.000 |
32 |
39 |
|
[EDO]B:304 |
4 |
1 |
183 |
◊ |
B |
x,y,z |
1_555 |
10 |
4 |
9107 |
65.3 |
2.1 |
0.928 |
2 |
0 |
0 |
0.000 |
33 |
40 |
|
[EDO]B:302 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
14 |
4 |
9107 |
62.5 |
1.1 |
0.760 |
1 |
0 |
0 |
0.000 |
34 |
41 |
|
[FWZ]B:301 |
11 |
1 |
1183 |
◊ |
[EDO]B:304 |
x,y,z |
1_555 |
4 |
1 |
183 |
60.2 |
1.7 |
0.865 |
0 |
0 |
0 |
0.000 |
35 |
42 |
|
G |
5 |
2 |
6380 |
◊ |
C |
x-1,y,z |
1_455 |
4 |
1 |
5852 |
57.9 |
-0.3 |
0.539 |
0 |
1 |
0 |
0.000 |
36 |
43 |
|
[FWZ]F:301 |
7 |
1 |
1188 |
f |
[EDO]F:302 |
x,y,z |
1_555 |
4 |
1 |
186 |
56.9 |
1.6 |
0.838 |
0 |
0 |
0 |
0.000 |
37 |
44 |
|
[EDO]G:201 |
4 |
1 |
185 |
f |
H |
x,y,z |
1_555 |
6 |
4 |
6844 |
52.7 |
0.8 |
0.745 |
1 |
0 |
0 |
0.000 |
38 |
45 |
|
[FWZ]B:301 |
8 |
1 |
1183 |
f |
[EDO]B:302 |
x,y,z |
1_555 |
3 |
1 |
184 |
52.2 |
0.9 |
0.255 |
0 |
0 |
0 |
0.000 |
39 |
46 |
|
[EDO]A:1502 |
4 |
1 |
183 |
◊ |
A |
x,y,z |
1_555 |
7 |
3 |
6816 |
51.4 |
0.3 |
0.603 |
0 |
0 |
0 |
0.000 |
40 |
47 |
|
[EDO]E:1501 |
3 |
1 |
184 |
◊ |
E |
x,y,z |
1_555 |
7 |
3 |
7626 |
47.4 |
0.6 |
0.630 |
0 |
0 |
0 |
0.000 |
41 |
48 |
|
E |
2 |
1 |
7626 |
◊ |
[EPE]B:305 |
-x,y-1/2,-z-1/2 |
3_544 |
4 |
1 |
405 |
39.1 |
1.2 |
0.109 |
2 |
0 |
0 |
0.000 |
42 |
49 |
|
B |
4 |
2 |
9107 |
◊ |
C |
x-1/2,-y+1/2,-z |
4_455 |
4 |
1 |
5852 |
35.6 |
0.1 |
0.697 |
0 |
0 |
0 |
0.000 |
43 |
50 |
|
A |
3 |
1 |
6816 |
◊ |
[EDO]D:201 |
-x-1/2,-y,z-1/2 |
2_454 |
3 |
1 |
185 |
34.3 |
1.2 |
0.917 |
0 |
0 |
0 |
0.000 |
44 |
51 |
|
A |
3 |
1 |
6816 |
◊ |
[EDO]D:202 |
-x-1/2,-y,z-1/2 |
2_454 |
3 |
1 |
184 |
31.3 |
0.5 |
0.832 |
0 |
0 |
0 |
0.000 |
45 |
52 |
|
F |
5 |
1 |
9088 |
f |
[EDO]D:202 |
x-1/2,-y-1/2,-z |
4_445 |
3 |
1 |
184 |
28.0 |
0.2 |
0.683 |
0 |
0 |
0 |
0.000 |
46 |
53 |
|
[EDO]E:1501 |
3 |
1 |
184 |
f |
F |
x,y,z |
1_555 |
4 |
2 |
9088 |
24.5 |
0.4 |
0.715 |
0 |
0 |
0 |
0.000 |
47 |
54 |
|
C |
3 |
2 |
5852 |
◊ |
E |
x,y,z |
1_555 |
3 |
1 |
7626 |
24.4 |
0.1 |
0.626 |
0 |
0 |
0 |
0.000 |
48 |
55 |
|
F |
2 |
1 |
9088 |
◊ |
D |
-x-1/2,-y,z-1/2 |
2_454 |
2 |
1 |
6770 |
24.4 |
-0.6 |
0.253 |
0 |
0 |
0 |
0.000 |
49 |
56 |
|
G |
5 |
3 |
6380 |
◊ |
D |
x-1,y,z |
1_455 |
3 |
3 |
6770 |
22.3 |
1.0 |
0.872 |
0 |
0 |
0 |
0.000 |
57 |
|
H |
1 |
1 |
6844 |
◊ |
C |
x-1,y,z |
1_455 |
1 |
1 |
5852 |
4.1 |
0.2 |
0.806 |
0 |
0 |
0 |
0.000 |
Average: |
13.2 |
0.6 |
0.839 |
0 |
0 |
0 |
0.000 |
50 |
58 |
|
[EPE]B:305 |
3 |
1 |
405 |
f |
C |
x,y,z |
1_555 |
2 |
1 |
5852 |
22.1 |
-0.5 |
0.048 |
0 |
0 |
0 |
0.027 |
51 |
59 |
|
[EDO]B:304 |
2 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
2 |
1 |
6816 |
20.2 |
0.4 |
0.559 |
0 |
0 |
0 |
0.000 |
52 |
60 |
|
[EDO]B:303 |
3 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
4 |
1 |
5852 |
18.3 |
0.2 |
0.790 |
0 |
0 |
0 |
0.000 |
53 |
61 |
|
[EDO]A:1502 |
2 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
2 |
1 |
9107 |
18.1 |
0.1 |
0.569 |
0 |
0 |
0 |
0.000 |
54 |
62 |
|
E |
2 |
2 |
7626 |
◊ |
A |
-x-1,y-1/2,-z-1/2 |
3_444 |
6 |
3 |
6816 |
17.8 |
-0.2 |
0.606 |
0 |
0 |
0 |
0.000 |
55 |
63 |
|
[EDO]A:1501 |
1 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
3 |
1 |
9107 |
16.5 |
0.4 |
0.873 |
0 |
0 |
0 |
0.000 |
56 |
64 |
|
H |
1 |
1 |
6844 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
9107 |
6.4 |
-0.2 |
0.340 |
0 |
0 |
0 |
0.000 |
57 |
65 |
|
A |
1 |
1 |
6816 |
◊ |
C |
x-1,y,z |
1_455 |
1 |
1 |
5852 |
4.0 |
-0.0 |
0.558 |
0 |
0 |
0 |
0.000 |
58 |
66 |
|
F |
1 |
1 |
9088 |
◊ |
D |
x-1/2,-y-1/2,-z |
4_445 |
1 |
1 |
6770 |
3.8 |
0.1 |
0.593 |
0 |
0 |
0 |
0.000 |
59 |
67 |
|
[EDO]F:302 |
1 |
1 |
186 |
f |
[EDO]E:1501 |
x,y,z |
1_555 |
1 |
1 |
184 |
2.7 |
0.1 |
1.000 |
0 |
0 |
0 |
0.000 |
60 |
68 |
|
H |
2 |
2 |
6844 |
◊ |
[EPE]B:305 |
x-1/2,-y+1/2,-z |
4_455 |
2 |
1 |
405 |
2.7 |
0.1 |
0.161 |
0 |
0 |
0 |
0.000 |
61 |
69 |
|
G |
1 |
1 |
6380 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
6816 |
0.1 |
-0.0 |
0.661 |
0 |
0 |
0 |
0.000 |
|