## |
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 |
131 |
38 |
18885 |
◊ |
A |
x,y,z |
1_555 |
130 |
38 |
18726 |
1253.3 |
-2.0 |
0.658 |
15 |
17 |
0 |
0.000 |
2 |
2 |
|
B |
121 |
36 |
18909 |
◊ |
A |
x,y,z |
1_555 |
119 |
35 |
18726 |
1184.9 |
-5.6 |
0.414 |
20 |
0 |
0 |
0.000 |
3 |
|
D |
117 |
33 |
18885 |
◊ |
C |
x,y,z |
1_555 |
115 |
35 |
18995 |
1124.3 |
-5.0 |
0.477 |
18 |
0 |
0 |
0.000 |
Average: |
1154.6 |
-5.3 |
0.446 |
19 |
0 |
0 |
0.000 |
3 |
4 |
|
B |
58 |
22 |
18909 |
x |
D |
-x+y+2/3,-x+4/3,z+1/3 |
6_565 |
49 |
14 |
18885 |
486.3 |
-3.7 |
0.310 |
6 |
3 |
0 |
0.000 |
5 |
|
A |
49 |
15 |
18726 |
x |
A |
-y+5/3,x-y+1/3,z+1/3 |
5_655 |
53 |
20 |
18726 |
463.2 |
-5.0 |
0.206 |
5 |
2 |
0 |
0.000 |
Average: |
474.7 |
-4.3 |
0.258 |
6 |
3 |
0 |
0.000 |
4 |
6 |
|
C |
49 |
19 |
18995 |
◊ |
B |
x,y,z |
1_555 |
54 |
21 |
18909 |
462.2 |
3.3 |
0.880 |
7 |
2 |
0 |
0.000 |
5 |
7 |
|
B |
28 |
12 |
18909 |
◊ |
C |
-x+y+2/3,-x+4/3,z-2/3 |
6_564 |
18 |
7 |
18995 |
179.5 |
-0.8 |
0.518 |
0 |
2 |
0 |
0.000 |
6 |
8 |
|
A |
18 |
4 |
18726 |
◊ |
D |
-y+5/3,x-y+1/3,z-2/3 |
5_654 |
13 |
6 |
18885 |
165.1 |
-0.8 |
0.459 |
3 |
2 |
0 |
0.000 |
7 |
9 |
|
D |
11 |
5 |
18885 |
◊ |
A |
-y+5/3,x-y+1/3,z+1/3 |
5_655 |
15 |
5 |
18726 |
127.9 |
0.6 |
0.656 |
2 |
2 |
0 |
0.000 |
10 |
|
B |
8 |
2 |
18909 |
◊ |
A |
-x+y+2/3,-x+4/3,z+1/3 |
6_565 |
7 |
3 |
18726 |
59.1 |
1.1 |
0.810 |
1 |
2 |
0 |
0.000 |
Average: |
93.5 |
0.8 |
0.733 |
2 |
2 |
0 |
0.000 |
8 |
11 |
|
[EDO]D:482 |
4 |
1 |
187 |
f |
D |
x,y,z |
1_555 |
20 |
8 |
18885 |
126.7 |
4.1 |
0.704 |
4 |
0 |
0 |
0.000 |
9 |
12 |
|
[EDO]A:488 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
22 |
10 |
18726 |
121.7 |
4.2 |
0.684 |
3 |
0 |
0 |
0.000 |
10 |
13 |
|
[EDO]A:484 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
21 |
9 |
18726 |
118.7 |
3.9 |
0.686 |
4 |
0 |
0 |
0.000 |
11 |
14 |
|
[EDO]D:485 |
4 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
23 |
11 |
18885 |
116.4 |
3.6 |
0.501 |
0 |
0 |
0 |
0.000 |
12 |
15 |
|
[EDO]B:481 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
19 |
8 |
18909 |
116.3 |
3.8 |
0.699 |
2 |
0 |
0 |
0.000 |
13 |
16 |
|
[EDO]D:489 |
4 |
1 |
184 |
f |
D |
x,y,z |
1_555 |
16 |
9 |
18885 |
116.2 |
4.1 |
0.657 |
2 |
0 |
0 |
0.000 |
14 |
17 |
|
B |
12 |
7 |
18909 |
◊ |
D |
-y+5/3,x-y+1/3,z+1/3 |
5_655 |
12 |
5 |
18885 |
115.7 |
0.8 |
0.734 |
2 |
0 |
0 |
0.000 |
15 |
18 |
|
[EDO]B:487 |
4 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
22 |
11 |
18909 |
114.1 |
3.1 |
0.488 |
1 |
0 |
0 |
0.000 |
16 |
19 |
|
[EDO]B:484 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
19 |
10 |
18909 |
114.0 |
3.8 |
0.654 |
4 |
0 |
0 |
0.000 |
17 |
20 |
|
[EDO]A:490 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
18 |
9 |
18726 |
113.5 |
4.0 |
0.688 |
3 |
0 |
0 |
0.000 |
18 |
21 |
|
[EDO]C:482 |
4 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
18 |
7 |
18995 |
110.3 |
3.1 |
0.478 |
1 |
0 |
0 |
0.000 |
19 |
22 |
|
[EDO]A:481 |
4 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
20 |
7 |
18726 |
108.9 |
3.7 |
0.524 |
5 |
0 |
0 |
0.000 |
20 |
23 |
|
[EDO]A:482 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
15 |
7 |
18726 |
108.9 |
3.7 |
0.492 |
1 |
0 |
0 |
0.000 |
21 |
24 |
|
[EDO]D:483 |
4 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
16 |
7 |
18885 |
108.8 |
3.6 |
0.473 |
1 |
0 |
0 |
0.000 |
22 |
25 |
|
[EDO]B:483 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
17 |
7 |
18909 |
106.4 |
3.8 |
0.499 |
1 |
0 |
0 |
0.000 |
23 |
26 |
|
[EDO]A:485 |
4 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
18 |
6 |
18726 |
105.8 |
2.8 |
0.444 |
4 |
0 |
0 |
0.000 |
24 |
27 |
|
[EDO]B:482 |
4 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
20 |
10 |
18909 |
105.1 |
3.1 |
0.617 |
2 |
0 |
0 |
0.000 |
25 |
28 |
|
[EDO]D:484 |
4 |
1 |
186 |
f |
D |
x,y,z |
1_555 |
18 |
7 |
18885 |
103.3 |
2.9 |
0.481 |
5 |
0 |
0 |
0.000 |
26 |
29 |
|
[EDO]D:486 |
4 |
1 |
184 |
◊ |
D |
x,y,z |
1_555 |
20 |
6 |
18885 |
101.7 |
3.3 |
0.422 |
1 |
0 |
0 |
0.000 |
27 |
30 |
|
[EDO]A:483 |
4 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
20 |
11 |
18726 |
101.4 |
3.2 |
0.647 |
1 |
0 |
0 |
0.000 |
28 |
31 |
|
[EDO]A:489 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
27 |
9 |
18726 |
100.7 |
2.4 |
0.443 |
2 |
0 |
0 |
0.000 |
29 |
32 |
|
[EDO]B:486 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
12 |
6 |
18909 |
99.0 |
2.4 |
0.340 |
0 |
0 |
0 |
0.000 |
30 |
33 |
|
[EDO]B:485 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
24 |
7 |
18909 |
96.6 |
2.5 |
0.423 |
1 |
0 |
0 |
0.000 |
34 |
|
[EDO]A:486 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
24 |
7 |
18726 |
95.6 |
2.2 |
0.431 |
0 |
0 |
0 |
0.000 |
Average: |
96.1 |
2.4 |
0.427 |
1 |
0 |
0 |
0.000 |
31 |
35 |
|
[EDO]D:490 |
4 |
1 |
184 |
◊ |
D |
x,y,z |
1_555 |
12 |
5 |
18885 |
96.3 |
3.6 |
0.582 |
3 |
0 |
0 |
0.000 |
32 |
36 |
|
[EDO]A:487 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
15 |
6 |
18726 |
91.2 |
2.5 |
0.442 |
1 |
0 |
0 |
0.000 |
33 |
37 |
|
[EDO]D:488 |
4 |
1 |
186 |
◊ |
A |
x,y,z |
1_555 |
13 |
5 |
18726 |
87.0 |
2.2 |
0.854 |
0 |
0 |
0 |
0.000 |
34 |
38 |
|
[CL]B:479 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
24 |
10 |
18909 |
86.1 |
-12.1 |
0.000 |
0 |
0 |
0 |
0.065 |
39 |
|
[CL]C:478 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
23 |
9 |
18995 |
85.7 |
-11.7 |
0.000 |
0 |
0 |
0 |
0.065 |
40 |
|
[CL]D:478 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
22 |
9 |
18885 |
85.0 |
-12.0 |
0.000 |
0 |
0 |
0 |
0.065 |
Average: |
85.6 |
-11.9 |
0.000 |
0 |
0 |
0 |
0.065 |
35 |
41 |
|
[EDO]D:488 |
4 |
1 |
186 |
◊ |
D |
x,y,z |
1_555 |
11 |
4 |
18885 |
79.5 |
2.0 |
0.266 |
1 |
0 |
0 |
0.000 |
36 |
42 |
|
[CL]A:478 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
16 |
7 |
18726 |
78.1 |
-10.8 |
0.000 |
0 |
0 |
0 |
0.112 |
43 |
|
[CL]D:480 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
16 |
7 |
18885 |
77.2 |
-10.6 |
0.000 |
0 |
0 |
0 |
0.112 |
44 |
|
[CL]C:479 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
15 |
7 |
18995 |
77.1 |
-10.6 |
0.000 |
0 |
0 |
0 |
0.112 |
45 |
|
[CL]B:480 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
16 |
7 |
18909 |
74.9 |
-10.0 |
0.000 |
0 |
0 |
0 |
0.112 |
Average: |
76.8 |
-10.5 |
0.000 |
0 |
0 |
0 |
0.112 |
37 |
46 |
|
[CL]B:478 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
16 |
6 |
18909 |
75.7 |
-12.6 |
0.000 |
0 |
0 |
0 |
0.131 |
47 |
|
[CL]A:479 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
16 |
7 |
18726 |
74.7 |
-12.6 |
0.000 |
0 |
0 |
0 |
0.131 |
48 |
|
[CL]D:479 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
15 |
6 |
18885 |
72.9 |
-12.6 |
0.000 |
0 |
0 |
0 |
0.131 |
Average: |
74.4 |
-12.6 |
0.000 |
0 |
0 |
0 |
0.131 |
38 |
49 |
|
[EDO]D:487 |
4 |
1 |
184 |
f |
D |
x,y,z |
1_555 |
9 |
5 |
18885 |
74.6 |
1.5 |
0.692 |
2 |
0 |
0 |
0.000 |
39 |
50 |
|
[EDO]C:481 |
4 |
1 |
185 |
◊ |
C |
x,y,z |
1_555 |
11 |
5 |
18995 |
72.2 |
1.9 |
0.235 |
1 |
0 |
0 |
0.000 |
40 |
51 |
|
A |
6 |
4 |
18726 |
◊ |
C |
-y+5/3,x-y+1/3,z-2/3 |
5_654 |
11 |
3 |
18995 |
71.7 |
0.6 |
0.644 |
0 |
0 |
0 |
0.000 |
41 |
52 |
|
[EDO]C:481 |
4 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
12 |
6 |
18885 |
68.5 |
1.6 |
0.224 |
1 |
0 |
0 |
0.000 |
42 |
53 |
|
[CL]D:481 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
15 |
6 |
18885 |
64.3 |
-7.8 |
0.000 |
0 |
0 |
0 |
0.080 |
54 |
|
[CL]A:480 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
15 |
6 |
18726 |
63.6 |
-7.7 |
0.000 |
0 |
0 |
0 |
0.080 |
Average: |
63.9 |
-7.8 |
0.000 |
0 |
0 |
0 |
0.080 |
43 |
55 |
|
[EDO]A:487 |
4 |
1 |
184 |
f |
D |
x,y,z |
1_555 |
11 |
5 |
18885 |
61.5 |
1.6 |
0.749 |
0 |
0 |
0 |
0.000 |
44 |
56 |
|
[EDO]D:490 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
10 |
5 |
18726 |
61.1 |
2.1 |
0.292 |
0 |
0 |
0 |
0.000 |
45 |
57 |
|
A |
8 |
4 |
18726 |
◊ |
[EDO]D:487 |
-y+5/3,x-y+1/3,z-2/3 |
5_654 |
4 |
1 |
184 |
55.9 |
1.4 |
0.685 |
0 |
0 |
0 |
0.000 |
46 |
58 |
|
[MG]C:480 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
10 |
5 |
18995 |
52.7 |
-9.9 |
0.000 |
0 |
0 |
0 |
0.034 |
47 |
59 |
|
A |
6 |
3 |
18726 |
◊ |
C |
x,y,z-1 |
1_554 |
5 |
3 |
18995 |
44.2 |
1.6 |
0.877 |
0 |
0 |
0 |
0.000 |
48 |
60 |
|
[EDO]B:482 |
3 |
1 |
186 |
f |
[EDO]B:481 |
x,y,z |
1_555 |
3 |
1 |
185 |
28.1 |
1.5 |
1.000 |
0 |
0 |
0 |
0.000 |
49 |
61 |
|
C |
4 |
1 |
18995 |
◊ |
A |
x,y,z |
1_555 |
3 |
2 |
18726 |
27.6 |
0.6 |
0.698 |
0 |
0 |
0 |
0.000 |
62 |
|
D |
3 |
2 |
18885 |
◊ |
B |
x,y,z |
1_555 |
4 |
1 |
18909 |
15.8 |
0.2 |
0.643 |
0 |
0 |
0 |
0.000 |
Average: |
21.7 |
0.4 |
0.670 |
0 |
0 |
0 |
0.000 |
50 |
63 |
|
[EDO]A:484 |
3 |
1 |
185 |
f |
[EDO]A:483 |
x,y,z |
1_555 |
2 |
1 |
186 |
24.6 |
1.1 |
1.000 |
0 |
0 |
0 |
0.000 |
51 |
64 |
|
[EDO]B:487 |
2 |
1 |
183 |
f |
[CL]B:480 |
x,y,z |
1_555 |
1 |
1 |
125 |
23.5 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.011 |
52 |
65 |
|
[CL]A:480 |
1 |
1 |
125 |
◊ |
D |
x,y,z |
1_555 |
4 |
3 |
18885 |
23.2 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.000 |
66 |
|
[CL]D:481 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
18726 |
15.8 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.000 |
Average: |
19.5 |
-1.3 |
0.000 |
0 |
0 |
0 |
0.000 |
53 |
67 |
|
[EDO]D:485 |
2 |
1 |
185 |
f |
[CL]D:480 |
x,y,z |
1_555 |
1 |
1 |
125 |
17.4 |
-1.4 |
0.000 |
0 |
0 |
0 |
0.005 |
54 |
68 |
|
B |
1 |
1 |
18909 |
f |
[EDO]D:486 |
-y+5/3,x-y+1/3,z+1/3 |
5_655 |
1 |
1 |
184 |
14.7 |
0.3 |
0.927 |
0 |
0 |
0 |
0.000 |
55 |
69 |
|
[EDO]A:490 |
2 |
1 |
185 |
f |
[EDO]A:483 |
x,y,z |
1_555 |
1 |
1 |
186 |
14.2 |
0.6 |
1.000 |
0 |
0 |
0 |
0.000 |
56 |
70 |
|
[EDO]B:484 |
2 |
1 |
185 |
f |
[EDO]B:482 |
x,y,z |
1_555 |
2 |
1 |
186 |
12.8 |
0.8 |
1.000 |
0 |
0 |
0 |
0.000 |
57 |
71 |
|
[EDO]B:485 |
1 |
1 |
185 |
f |
D |
-x+y+2/3,-x+4/3,z+1/3 |
6_565 |
1 |
1 |
18885 |
9.2 |
0.2 |
0.472 |
0 |
0 |
0 |
0.000 |
58 |
72 |
|
[EDO]D:488 |
2 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
1 |
1 |
18909 |
3.6 |
0.1 |
0.864 |
0 |
0 |
0 |
0.000 |
|