## |
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 |
|
B |
177 |
54 |
13234 |
◊ |
A |
x,y,z |
1_555 |
174 |
51 |
13811 |
1722.9 |
-12.2 |
0.619 |
27 |
0 |
0 |
0.000 |
2 |
2 |
|
C |
94 |
29 |
6094 |
◊ |
A |
x,y,z |
1_555 |
93 |
28 |
13811 |
872.1 |
-7.7 |
0.220 |
10 |
1 |
0 |
0.139 |
3 |
|
D |
88 |
29 |
5597 |
◊ |
B |
x,y,z |
1_555 |
80 |
27 |
13234 |
836.9 |
-7.0 |
0.333 |
7 |
1 |
0 |
0.139 |
Average: |
854.5 |
-7.4 |
0.277 |
9 |
1 |
0 |
0.139 |
3 |
4 |
|
B |
31 |
8 |
13234 |
◊ |
C |
-x+1/2,-y,z-1/2 |
2_554 |
46 |
19 |
6094 |
403.2 |
-5.3 |
0.166 |
4 |
0 |
0 |
0.000 |
4 |
5 |
|
B |
40 |
16 |
13234 |
◊ |
A |
-x,y-1/2,-z-1/2 |
3_544 |
35 |
11 |
13811 |
390.0 |
-1.9 |
0.644 |
6 |
4 |
0 |
0.000 |
5 |
6 |
|
C |
42 |
10 |
6094 |
x |
C |
x-1/2,-y-1/2,-z |
4_445 |
39 |
11 |
6094 |
377.1 |
1.0 |
0.751 |
8 |
6 |
0 |
0.000 |
6 |
7 |
|
C |
30 |
11 |
6094 |
◊ |
A |
x-1/2,-y-1/2,-z |
4_445 |
35 |
11 |
13811 |
313.6 |
-1.2 |
0.579 |
4 |
4 |
0 |
0.000 |
7 |
8 |
|
A |
33 |
11 |
13811 |
◊ |
C |
x-1/2,-y-1/2,-z |
4_445 |
31 |
10 |
6094 |
279.2 |
-1.5 |
0.404 |
5 |
0 |
0 |
0.000 |
8 |
9 |
|
D |
25 |
8 |
5597 |
x |
D |
x-1/2,-y-1/2,-z-1 |
4_444 |
31 |
13 |
5597 |
239.7 |
-0.9 |
0.653 |
2 |
0 |
0 |
0.000 |
9 |
10 |
|
D |
29 |
14 |
5597 |
◊ |
A |
-x+1/2,-y,z-1/2 |
2_554 |
21 |
6 |
13811 |
214.2 |
-1.9 |
0.492 |
3 |
0 |
0 |
0.000 |
10 |
11 |
|
A |
16 |
5 |
13811 |
x |
A |
x-1,y,z |
1_455 |
13 |
6 |
13811 |
154.3 |
-2.0 |
0.337 |
0 |
0 |
0 |
0.000 |
11 |
12 |
|
[EDO]A:603 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
17 |
8 |
13811 |
113.6 |
2.4 |
0.406 |
1 |
0 |
0 |
0.000 |
12 |
13 |
|
[EDO]B:608 |
4 |
1 |
186 |
◊ |
B |
x,y,z |
1_555 |
19 |
9 |
13234 |
113.0 |
3.4 |
0.561 |
2 |
0 |
0 |
0.000 |
13 |
14 |
|
[EDO]B:602 |
4 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
16 |
9 |
13234 |
111.2 |
3.9 |
0.725 |
4 |
0 |
0 |
0.000 |
14 |
15 |
|
B |
8 |
4 |
13234 |
◊ |
D |
x-1/2,-y-1/2,-z-1 |
4_444 |
13 |
6 |
5597 |
110.5 |
-1.6 |
0.215 |
0 |
0 |
0 |
0.000 |
15 |
16 |
|
[EDO]A:608 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
22 |
6 |
13811 |
106.3 |
3.4 |
0.481 |
1 |
0 |
0 |
0.000 |
16 |
17 |
|
[EDO]D:201 |
4 |
1 |
184 |
◊ |
D |
x,y,z |
1_555 |
13 |
8 |
5597 |
105.3 |
3.6 |
0.540 |
3 |
0 |
0 |
0.000 |
17 |
18 |
|
[EDO]B:603 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
16 |
9 |
13234 |
105.0 |
3.0 |
0.495 |
3 |
0 |
0 |
0.000 |
18 |
19 |
|
[EDO]A:613 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
18 |
8 |
13811 |
104.3 |
3.0 |
0.511 |
4 |
0 |
0 |
0.000 |
19 |
20 |
|
[EDO]A:602 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
20 |
6 |
13811 |
103.7 |
2.0 |
0.260 |
2 |
0 |
0 |
0.000 |
20 |
21 |
|
[EDO]A:606 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
17 |
9 |
13811 |
102.4 |
2.8 |
0.468 |
3 |
0 |
0 |
0.000 |
21 |
22 |
|
[EDO]B:605 |
4 |
1 |
183 |
◊ |
B |
x,y,z |
1_555 |
18 |
6 |
13234 |
98.3 |
1.7 |
0.264 |
2 |
0 |
0 |
0.000 |
22 |
23 |
|
[EDO]B:607 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
15 |
7 |
13234 |
97.2 |
3.0 |
0.550 |
4 |
0 |
0 |
0.000 |
23 |
24 |
|
[IMD]C:202 |
5 |
1 |
196 |
◊ |
C |
x,y,z |
1_555 |
18 |
7 |
6094 |
96.7 |
2.6 |
0.307 |
1 |
0 |
0 |
0.000 |
24 |
25 |
|
[PO4]A:615 |
5 |
1 |
189 |
f |
A |
x,y,z |
1_555 |
15 |
5 |
13811 |
94.2 |
-4.7 |
0.936 |
4 |
0 |
0 |
0.073 |
25 |
26 |
|
[EDO]A:604 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
12 |
6 |
13811 |
92.6 |
2.6 |
0.298 |
3 |
0 |
0 |
0.000 |
26 |
27 |
|
A |
12 |
7 |
13811 |
◊ |
B |
x-1,y,z |
1_455 |
10 |
6 |
13234 |
92.4 |
-1.0 |
0.502 |
0 |
0 |
0 |
0.000 |
27 |
28 |
|
B |
8 |
5 |
13234 |
◊ |
A |
x-1,y,z |
1_455 |
11 |
3 |
13811 |
91.0 |
-0.4 |
0.608 |
2 |
0 |
0 |
0.000 |
28 |
29 |
|
[EDO]B:601 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
13 |
6 |
13234 |
89.9 |
2.4 |
0.304 |
3 |
0 |
0 |
0.000 |
29 |
30 |
|
[EDO]A:607 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
11 |
6 |
13811 |
87.0 |
2.3 |
0.384 |
1 |
0 |
0 |
0.000 |
30 |
31 |
|
[IMD]B:609 |
5 |
1 |
196 |
f |
A |
x,y,z |
1_555 |
13 |
5 |
13811 |
86.6 |
1.2 |
0.143 |
0 |
0 |
0 |
0.000 |
31 |
32 |
|
[IMD]B:609 |
5 |
1 |
196 |
◊ |
B |
x,y,z |
1_555 |
12 |
4 |
13234 |
86.4 |
1.3 |
0.151 |
0 |
0 |
0 |
0.000 |
32 |
33 |
|
[EDO]A:605 |
4 |
1 |
183 |
◊ |
A |
x,y,z |
1_555 |
10 |
3 |
13811 |
79.2 |
2.4 |
0.314 |
0 |
0 |
0 |
0.000 |
33 |
34 |
|
[EDO]A:612 |
4 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
13 |
6 |
13234 |
78.8 |
2.0 |
0.423 |
1 |
0 |
0 |
0.000 |
34 |
35 |
|
[EDO]B:606 |
4 |
1 |
183 |
◊ |
B |
x,y,z |
1_555 |
12 |
3 |
13234 |
78.1 |
2.4 |
0.318 |
2 |
0 |
0 |
0.000 |
35 |
36 |
|
[EDO]C:201 |
4 |
1 |
184 |
◊ |
C |
x,y,z |
1_555 |
12 |
4 |
6094 |
77.0 |
1.7 |
0.228 |
1 |
0 |
0 |
0.000 |
36 |
37 |
|
[EDO]A:609 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
15 |
5 |
13811 |
75.0 |
1.9 |
0.291 |
2 |
0 |
0 |
0.000 |
37 |
38 |
|
[EDO]C:201 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
9 |
3 |
13811 |
72.5 |
1.1 |
0.168 |
0 |
0 |
0 |
0.000 |
38 |
39 |
|
[EDO]B:604 |
4 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
11 |
4 |
13234 |
71.8 |
2.1 |
0.309 |
0 |
0 |
0 |
0.000 |
39 |
40 |
|
[EDO]A:614 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
9 |
5 |
13234 |
71.1 |
1.3 |
0.787 |
2 |
0 |
0 |
0.000 |
40 |
41 |
|
[EDO]A:611 |
4 |
1 |
183 |
◊ |
A |
x,y,z |
1_555 |
11 |
3 |
13811 |
69.5 |
2.1 |
0.289 |
1 |
0 |
0 |
0.000 |
41 |
42 |
|
[EDO]A:605 |
4 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
12 |
5 |
13234 |
69.0 |
2.3 |
0.267 |
0 |
0 |
0 |
0.000 |
42 |
43 |
|
[EDO]B:604 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
11 |
4 |
13811 |
64.2 |
1.7 |
0.248 |
0 |
0 |
0 |
0.000 |
43 |
44 |
|
[NA]A:601 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
12 |
5 |
13811 |
63.7 |
-8.7 |
0.000 |
0 |
0 |
0 |
0.099 |
44 |
45 |
|
[EDO]A:614 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
7 |
4 |
13811 |
62.6 |
1.9 |
0.289 |
0 |
0 |
0 |
0.000 |
45 |
46 |
|
[EDO]A:610 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
8 |
3 |
13811 |
60.2 |
0.8 |
0.785 |
1 |
0 |
0 |
0.000 |
46 |
47 |
|
[IMD]C:202 |
5 |
1 |
196 |
◊ |
A |
x,y,z |
1_555 |
9 |
3 |
13811 |
58.9 |
1.1 |
0.089 |
0 |
0 |
0 |
0.000 |
47 |
48 |
|
[EDO]A:610 |
3 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
10 |
2 |
13234 |
52.8 |
2.2 |
0.335 |
0 |
0 |
0 |
0.000 |
48 |
49 |
|
[EDO]A:611 |
4 |
1 |
183 |
f |
C |
x-1/2,-y-1/2,-z |
4_445 |
6 |
2 |
6094 |
49.7 |
0.8 |
0.734 |
2 |
0 |
0 |
0.237 |
49 |
50 |
|
[PO4]A:615 |
4 |
1 |
189 |
◊ |
B |
x,y,z |
1_555 |
5 |
2 |
13234 |
47.7 |
-1.6 |
0.967 |
1 |
0 |
0 |
0.000 |
50 |
51 |
|
[EDO]B:606 |
3 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
4 |
1 |
13811 |
44.7 |
1.2 |
0.191 |
0 |
0 |
0 |
0.000 |
51 |
52 |
|
A |
5 |
2 |
13811 |
◊ |
[EDO]A:613 |
x-1,y,z |
1_455 |
3 |
1 |
184 |
44.6 |
1.5 |
0.929 |
0 |
0 |
0 |
0.000 |
52 |
53 |
|
[EDO]A:611 |
3 |
1 |
183 |
◊ |
B |
x,y,z |
1_555 |
5 |
1 |
13234 |
42.6 |
1.1 |
0.234 |
0 |
0 |
0 |
0.000 |
53 |
54 |
|
B |
7 |
3 |
13234 |
x |
B |
-x,y-1/2,-z-1/2 |
3_544 |
4 |
3 |
13234 |
40.5 |
-0.6 |
0.363 |
0 |
0 |
0 |
0.000 |
54 |
55 |
|
[EDO]A:607 |
3 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
6 |
2 |
13234 |
39.5 |
0.7 |
0.874 |
1 |
0 |
0 |
0.000 |
55 |
56 |
|
[EDO]A:603 |
3 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
4 |
2 |
13234 |
35.8 |
0.3 |
0.459 |
0 |
0 |
0 |
0.000 |
56 |
57 |
|
[EDO]A:612 |
3 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
6 |
2 |
13811 |
35.5 |
0.7 |
0.866 |
1 |
0 |
0 |
0.000 |
57 |
58 |
|
[EDO]B:608 |
3 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
3 |
1 |
13811 |
33.3 |
0.5 |
0.399 |
0 |
0 |
0 |
0.000 |
58 |
59 |
|
[EDO]A:609 |
2 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
13234 |
32.5 |
0.8 |
0.748 |
0 |
0 |
0 |
0.000 |
59 |
60 |
|
[EDO]B:604 |
3 |
1 |
184 |
f |
[EDO]A:610 |
x,y,z |
1_555 |
3 |
1 |
185 |
31.0 |
1.1 |
1.000 |
1 |
0 |
0 |
0.000 |
60 |
61 |
|
[EDO]B:605 |
2 |
1 |
183 |
f |
[EDO]A:609 |
x,y,z |
1_555 |
3 |
1 |
185 |
28.0 |
1.3 |
1.000 |
0 |
0 |
0 |
0.000 |
61 |
62 |
|
[EDO]B:605 |
3 |
1 |
183 |
f |
[EDO]A:612 |
x,y,z |
1_555 |
4 |
1 |
184 |
22.2 |
1.2 |
1.000 |
0 |
0 |
0 |
0.000 |
62 |
63 |
|
[EDO]A:607 |
4 |
1 |
184 |
f |
[EDO]A:602 |
x,y,z |
1_555 |
2 |
1 |
185 |
20.8 |
1.3 |
1.000 |
0 |
0 |
0 |
0.000 |
63 |
64 |
|
[EDO]A:612 |
3 |
1 |
184 |
f |
[EDO]A:609 |
x,y,z |
1_555 |
2 |
1 |
185 |
20.3 |
0.8 |
1.000 |
0 |
0 |
0 |
0.000 |
64 |
65 |
|
[NA]A:601 |
1 |
1 |
125 |
◊ |
C |
x-1/2,-y-1/2,-z |
4_445 |
5 |
2 |
6094 |
19.9 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.000 |
65 |
66 |
|
D |
3 |
2 |
5597 |
◊ |
A |
-x,y-1/2,-z-1/2 |
3_544 |
2 |
2 |
13811 |
17.8 |
0.0 |
0.447 |
0 |
0 |
0 |
0.000 |
66 |
67 |
|
[EDO]A:607 |
2 |
1 |
184 |
◊ |
[EDO]A:606 |
x,y,z |
1_555 |
1 |
1 |
184 |
8.4 |
0.4 |
1.000 |
0 |
0 |
0 |
0.000 |
67 |
68 |
|
[EDO]B:605 |
2 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
2 |
1 |
13811 |
8.4 |
0.4 |
0.866 |
0 |
0 |
0 |
0.000 |
68 |
69 |
|
[EDO]B:603 |
1 |
1 |
185 |
f |
[EDO]A:612 |
x,y,z |
1_555 |
2 |
1 |
184 |
7.0 |
0.3 |
1.000 |
0 |
0 |
0 |
0.000 |
69 |
70 |
|
[EDO]A:602 |
1 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
1 |
1 |
13234 |
5.7 |
0.3 |
0.895 |
0 |
0 |
0 |
0.000 |
70 |
71 |
|
D |
1 |
1 |
5597 |
◊ |
B |
x-1/2,-y-1/2,-z-1 |
4_444 |
1 |
1 |
13234 |
3.9 |
0.2 |
0.807 |
0 |
0 |
0 |
0.000 |
71 |
72 |
|
[EDO]B:608 |
3 |
1 |
186 |
f |
[EDO]A:610 |
x,y,z |
1_555 |
2 |
1 |
185 |
3.4 |
0.2 |
1.000 |
0 |
0 |
0 |
0.000 |
72 |
73 |
|
[NA]A:601 |
1 |
1 |
125 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
6094 |
1.5 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.001 |
73 |
74 |
|
[IMD]C:202 |
2 |
1 |
196 |
f |
C |
x-1/2,-y-1/2,-z |
4_445 |
1 |
1 |
6094 |
1.3 |
0.1 |
0.166 |
0 |
0 |
0 |
0.000 |
74 |
75 |
|
[EDO]A:606 |
1 |
1 |
184 |
f |
C |
x-1/2,-y-1/2,-z |
4_445 |
1 |
1 |
6094 |
1.0 |
0.0 |
0.694 |
0 |
0 |
0 |
0.000 |
75 |
76 |
|
[EDO]D:201 |
1 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
1 |
1 |
13234 |
0.6 |
0.0 |
0.728 |
0 |
0 |
0 |
0.000 |
76 |
77 |
|
[EDO]A:614 |
1 |
1 |
184 |
f |
[EDO]A:602 |
x,y,z |
1_555 |
1 |
1 |
185 |
0.4 |
0.0 |
1.000 |
0 |
0 |
0 |
0.000 |
|