## |
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 |
|
C |
151 |
35 |
10360 |
◊ |
A |
x,y,z |
1_555 |
149 |
32 |
10660 |
1397.8 |
-13.3 |
0.139 |
23 |
8 |
0 |
1.000 |
2 |
|
D |
142 |
32 |
10717 |
◊ |
B |
x,y,z |
1_555 |
143 |
33 |
10940 |
1366.1 |
-14.8 |
0.076 |
20 |
8 |
0 |
1.000 |
Average: |
1382.0 |
-14.0 |
0.107 |
22 |
8 |
0 |
1.000 |
2 |
3 |
|
D |
69 |
20 |
10717 |
◊ |
A |
x,y,z |
1_555 |
62 |
22 |
10660 |
615.0 |
-7.1 |
0.137 |
1 |
2 |
0 |
0.000 |
3 |
4 |
|
B |
60 |
18 |
10940 |
x |
B |
x-1/2,-y+3/2,-z+2 |
4_467 |
52 |
15 |
10940 |
511.0 |
1.3 |
0.787 |
12 |
6 |
0 |
0.000 |
5 |
|
C |
38 |
11 |
10360 |
x |
C |
x-1/2,-y+3/2,-z+1 |
4_466 |
50 |
17 |
10360 |
389.8 |
2.3 |
0.799 |
7 |
2 |
0 |
0.000 |
Average: |
450.4 |
1.8 |
0.793 |
10 |
4 |
0 |
0.000 |
4 |
6 |
|
D |
35 |
9 |
10717 |
◊ |
C |
x,y,z |
1_555 |
41 |
14 |
10360 |
365.5 |
0.1 |
0.670 |
5 |
2 |
0 |
0.000 |
5 |
7 |
|
A |
40 |
11 |
10660 |
◊ |
B |
-x+1,y-1/2,-z+3/2 |
3_646 |
40 |
11 |
10940 |
349.8 |
0.5 |
0.697 |
4 |
0 |
0 |
0.000 |
6 |
8 |
|
B |
33 |
11 |
10940 |
◊ |
A |
x,y,z |
1_555 |
28 |
9 |
10660 |
282.0 |
-2.1 |
0.347 |
3 |
4 |
0 |
0.000 |
7 |
9 |
|
B |
29 |
9 |
10940 |
◊ |
D |
x-1,y,z |
1_455 |
30 |
9 |
10717 |
215.7 |
-1.9 |
0.412 |
1 |
1 |
0 |
0.000 |
10 |
|
A |
16 |
4 |
10660 |
◊ |
C |
x-1,y,z |
1_455 |
14 |
5 |
10360 |
133.4 |
-1.8 |
0.299 |
1 |
2 |
0 |
0.000 |
Average: |
174.6 |
-1.8 |
0.356 |
1 |
2 |
0 |
0.000 |
8 |
11 |
|
D |
28 |
8 |
10717 |
◊ |
C |
-x+2,y-1/2,-z+3/2 |
3_746 |
22 |
6 |
10360 |
197.7 |
-0.9 |
0.513 |
2 |
0 |
0 |
0.000 |
9 |
12 |
|
[HEZ]B:240 |
8 |
1 |
291 |
f |
B |
x,y,z |
1_555 |
27 |
13 |
10940 |
190.9 |
3.5 |
0.041 |
1 |
0 |
0 |
0.000 |
10 |
13 |
|
C |
17 |
7 |
10360 |
◊ |
B |
x,y,z |
1_555 |
15 |
6 |
10940 |
151.0 |
-0.4 |
0.469 |
2 |
0 |
0 |
0.000 |
11 |
14 |
|
[HEZ]B:237 |
8 |
1 |
291 |
◊ |
B |
x,y,z |
1_555 |
26 |
9 |
10940 |
141.0 |
4.5 |
0.003 |
2 |
0 |
0 |
0.000 |
12 |
15 |
|
[HEZ]B:235 |
8 |
1 |
288 |
◊ |
B |
x,y,z |
1_555 |
20 |
8 |
10940 |
136.0 |
3.2 |
0.010 |
0 |
0 |
0 |
0.000 |
13 |
16 |
|
[HEZ]D:232 |
8 |
1 |
291 |
◊ |
D |
x,y,z |
1_555 |
20 |
6 |
10717 |
135.3 |
3.4 |
0.014 |
0 |
0 |
0 |
0.000 |
14 |
17 |
|
[HEZ]B:239 |
8 |
1 |
285 |
f |
B |
x,y,z |
1_555 |
19 |
7 |
10940 |
130.9 |
4.6 |
0.096 |
1 |
0 |
0 |
0.000 |
15 |
18 |
|
[HEZ]B:238 |
8 |
1 |
290 |
◊ |
B |
x,y,z |
1_555 |
16 |
5 |
10940 |
124.6 |
3.1 |
0.014 |
0 |
0 |
0 |
0.000 |
16 |
19 |
|
[HEZ]A:237 |
7 |
1 |
285 |
◊ |
A |
x,y,z |
1_555 |
15 |
7 |
10660 |
123.8 |
3.8 |
0.023 |
2 |
0 |
0 |
0.000 |
17 |
20 |
|
[HEZ]C:233 |
8 |
1 |
288 |
f |
C |
x,y,z |
1_555 |
18 |
8 |
10360 |
122.3 |
4.2 |
0.024 |
0 |
0 |
0 |
0.000 |
18 |
21 |
|
[HEZ]D:235 |
8 |
1 |
288 |
◊ |
D |
x,y,z |
1_555 |
18 |
7 |
10717 |
122.2 |
4.4 |
0.000 |
1 |
0 |
0 |
0.000 |
19 |
22 |
|
[HEZ]B:234 |
8 |
1 |
286 |
◊ |
B |
x,y,z |
1_555 |
19 |
6 |
10940 |
122.2 |
3.8 |
0.049 |
0 |
0 |
0 |
0.000 |
20 |
23 |
|
[HEZ]A:235 |
8 |
1 |
286 |
◊ |
A |
x,y,z |
1_555 |
18 |
5 |
10660 |
120.0 |
3.2 |
0.007 |
0 |
0 |
0 |
0.000 |
21 |
24 |
|
[HEZ]C:235 |
8 |
1 |
289 |
◊ |
C |
x,y,z |
1_555 |
16 |
5 |
10360 |
117.3 |
3.2 |
0.635 |
1 |
0 |
0 |
0.000 |
22 |
25 |
|
[HEZ]A:236 |
8 |
1 |
293 |
◊ |
A |
x,y,z |
1_555 |
13 |
6 |
10660 |
114.0 |
3.3 |
0.833 |
1 |
0 |
0 |
0.000 |
23 |
26 |
|
[HEZ]C:236 |
8 |
1 |
288 |
◊ |
C |
x,y,z |
1_555 |
12 |
5 |
10360 |
114.0 |
2.7 |
0.718 |
0 |
0 |
0 |
0.000 |
24 |
27 |
|
[HEZ]C:234 |
6 |
1 |
288 |
◊ |
C |
x-1/2,-y+3/2,-z+1 |
4_466 |
17 |
5 |
10360 |
105.4 |
3.1 |
0.012 |
0 |
0 |
0 |
0.000 |
25 |
28 |
|
[HEZ]B:233 |
8 |
1 |
287 |
◊ |
B |
x,y,z |
1_555 |
15 |
6 |
10940 |
103.1 |
3.0 |
0.635 |
1 |
0 |
0 |
0.000 |
26 |
29 |
|
[HEZ]D:234 |
6 |
1 |
287 |
◊ |
D |
x,y,z |
1_555 |
14 |
7 |
10717 |
101.6 |
2.8 |
0.009 |
0 |
0 |
0 |
0.000 |
27 |
30 |
|
[HEZ]B:236 |
7 |
1 |
288 |
◊ |
B |
x,y,z |
1_555 |
16 |
8 |
10940 |
97.4 |
2.6 |
0.646 |
0 |
0 |
0 |
0.000 |
28 |
31 |
|
A |
13 |
7 |
10660 |
◊ |
B |
-x+3/2,-y+1,z-1/2 |
2_664 |
7 |
2 |
10940 |
92.4 |
0.3 |
0.687 |
3 |
0 |
0 |
0.000 |
29 |
32 |
|
[HEZ]C:232 |
7 |
1 |
289 |
◊ |
C |
x,y,z |
1_555 |
10 |
4 |
10360 |
85.6 |
2.5 |
0.670 |
0 |
0 |
0 |
0.000 |
30 |
33 |
|
[HEZ]D:233 |
6 |
1 |
291 |
◊ |
D |
x,y,z |
1_555 |
14 |
4 |
10717 |
84.9 |
2.3 |
0.682 |
0 |
0 |
0 |
0.000 |
31 |
34 |
|
[HEZ]B:236 |
5 |
1 |
288 |
f |
[HEZ]B:233 |
x,y,z |
1_555 |
6 |
1 |
287 |
69.0 |
3.2 |
1.000 |
0 |
0 |
0 |
0.000 |
32 |
35 |
|
C |
6 |
2 |
10360 |
◊ |
D |
-x+3/2,-y+1,z-1/2 |
2_664 |
9 |
5 |
10717 |
68.6 |
-0.4 |
0.482 |
0 |
0 |
0 |
0.000 |
33 |
36 |
|
[HEZ]D:233 |
5 |
1 |
291 |
f |
B |
x,y,z |
1_555 |
8 |
4 |
10940 |
65.9 |
2.1 |
0.793 |
1 |
0 |
0 |
0.000 |
34 |
37 |
|
A |
8 |
2 |
10660 |
f |
[HEZ]B:235 |
-x+1,y-1/2,-z+3/2 |
3_646 |
8 |
1 |
288 |
65.7 |
2.1 |
0.819 |
0 |
0 |
0 |
0.000 |
35 |
38 |
|
[HEZ]B:237 |
6 |
1 |
291 |
f |
[HEZ]B:235 |
x,y,z |
1_555 |
4 |
1 |
288 |
58.7 |
2.8 |
1.000 |
1 |
0 |
0 |
0.000 |
36 |
39 |
|
[HEZ]C:234 |
5 |
1 |
288 |
◊ |
C |
x,y,z |
1_555 |
10 |
2 |
10360 |
57.8 |
1.7 |
0.728 |
1 |
0 |
0 |
0.000 |
37 |
40 |
|
[HEZ]C:234 |
5 |
1 |
288 |
f |
[HEZ]C:232 |
x,y,z |
1_555 |
5 |
1 |
289 |
51.7 |
3.0 |
1.000 |
0 |
0 |
0 |
0.000 |
38 |
41 |
|
[CA]B:232 |
1 |
1 |
85 |
f |
B |
x,y,z |
1_555 |
10 |
7 |
10940 |
47.5 |
-12.8 |
0.000 |
0 |
0 |
0 |
0.612 |
42 |
|
[CA]A:232 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
9 |
5 |
10660 |
47.5 |
-12.5 |
0.000 |
0 |
0 |
0 |
0.612 |
Average: |
47.5 |
-12.6 |
0.000 |
0 |
0 |
0 |
0.612 |
39 |
43 |
|
[HEZ]D:235 |
4 |
1 |
288 |
f |
C |
-x+2,y-1/2,-z+3/2 |
3_746 |
9 |
4 |
10360 |
46.6 |
1.0 |
0.754 |
1 |
0 |
0 |
0.000 |
40 |
44 |
|
[HEZ]B:233 |
6 |
1 |
287 |
◊ |
D |
x-1,y,z |
1_455 |
5 |
2 |
10717 |
44.7 |
1.6 |
0.901 |
0 |
0 |
0 |
0.000 |
41 |
45 |
|
[HEZ]A:237 |
3 |
1 |
285 |
f |
C |
x-1,y,z |
1_455 |
4 |
3 |
10360 |
44.6 |
1.2 |
0.861 |
0 |
0 |
0 |
0.000 |
42 |
46 |
|
[HEZ]C:232 |
3 |
1 |
289 |
f |
A |
x,y,z |
1_555 |
9 |
4 |
10660 |
43.6 |
0.9 |
0.743 |
1 |
0 |
0 |
0.000 |
43 |
47 |
|
[HEZ]C:236 |
5 |
1 |
288 |
◊ |
C |
x-1/2,-y+3/2,-z+1 |
4_466 |
5 |
2 |
10360 |
42.7 |
1.6 |
0.865 |
0 |
0 |
0 |
0.000 |
44 |
48 |
|
[HEZ]A:237 |
4 |
1 |
285 |
◊ |
[HEZ]C:236 |
x-1/2,-y+3/2,-z+1 |
4_466 |
3 |
1 |
288 |
42.6 |
2.8 |
1.000 |
0 |
0 |
0 |
0.000 |
45 |
49 |
|
B |
5 |
3 |
10940 |
◊ |
[HEZ]D:234 |
x-1,y,z |
1_455 |
5 |
1 |
287 |
42.3 |
1.6 |
0.931 |
1 |
0 |
0 |
0.000 |
46 |
50 |
|
[CA]A:233 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
7 |
4 |
10660 |
40.6 |
-8.3 |
0.000 |
0 |
0 |
0 |
0.234 |
47 |
51 |
|
[CA]A:234 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
5 |
2 |
10660 |
39.7 |
-8.2 |
0.000 |
0 |
0 |
0 |
0.233 |
48 |
52 |
|
D |
8 |
5 |
10717 |
x |
D |
-x+2,y-1/2,-z+3/2 |
3_746 |
4 |
2 |
10717 |
36.4 |
0.4 |
0.606 |
0 |
0 |
0 |
0.000 |
49 |
53 |
|
B |
5 |
3 |
10940 |
f |
[HEZ]D:234 |
x-1/2,-y+3/2,-z+2 |
4_467 |
3 |
1 |
287 |
36.1 |
0.9 |
0.869 |
1 |
0 |
0 |
0.000 |
50 |
54 |
|
A |
3 |
1 |
10660 |
x |
A |
-x+1,y-1/2,-z+3/2 |
3_646 |
4 |
1 |
10660 |
34.4 |
0.1 |
0.661 |
1 |
0 |
0 |
0.000 |
51 |
55 |
|
[HEZ]B:236 |
2 |
1 |
288 |
f |
[HEZ]B:234 |
x,y,z |
1_555 |
3 |
1 |
286 |
34.0 |
1.3 |
1.000 |
1 |
0 |
0 |
0.000 |
52 |
56 |
|
[HEZ]C:234 |
2 |
1 |
288 |
f |
A |
x,y,z |
1_555 |
5 |
1 |
10660 |
33.9 |
0.3 |
0.636 |
0 |
0 |
0 |
0.000 |
53 |
57 |
|
[HEZ]C:235 |
3 |
1 |
289 |
f |
B |
x,y,z |
1_555 |
7 |
2 |
10940 |
31.5 |
0.1 |
0.621 |
0 |
0 |
0 |
0.000 |
54 |
58 |
|
A |
4 |
2 |
10660 |
◊ |
D |
-x+3/2,-y+1,z-1/2 |
2_664 |
4 |
2 |
10717 |
29.5 |
1.3 |
0.902 |
0 |
0 |
0 |
0.000 |
55 |
59 |
|
B |
4 |
3 |
10940 |
◊ |
D |
x-1/2,-y+3/2,-z+2 |
4_467 |
8 |
5 |
10717 |
28.8 |
0.2 |
0.620 |
0 |
0 |
0 |
0.000 |
60 |
|
A |
1 |
1 |
10660 |
◊ |
C |
x-1/2,-y+3/2,-z+1 |
4_466 |
1 |
1 |
10360 |
1.9 |
0.0 |
0.603 |
0 |
0 |
0 |
0.000 |
Average: |
15.4 |
0.1 |
0.612 |
0 |
0 |
0 |
0.000 |
56 |
61 |
|
[HEZ]A:235 |
2 |
1 |
286 |
f |
D |
x,y,z |
1_555 |
2 |
1 |
10717 |
28.2 |
0.2 |
0.351 |
0 |
0 |
0 |
0.000 |
57 |
62 |
|
[CA]A:233 |
1 |
1 |
85 |
◊ |
B |
-x+1,y-1/2,-z+3/2 |
3_646 |
4 |
2 |
10940 |
25.0 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.000 |
58 |
63 |
|
[HEZ]C:235 |
2 |
1 |
289 |
◊ |
D |
x,y,z |
1_555 |
4 |
2 |
10717 |
23.5 |
0.5 |
0.825 |
0 |
0 |
0 |
0.000 |
59 |
64 |
|
[HEZ]A:237 |
2 |
1 |
285 |
f |
[HEZ]A:236 |
x,y,z |
1_555 |
2 |
1 |
293 |
23.1 |
0.6 |
1.000 |
1 |
0 |
0 |
0.000 |
60 |
65 |
|
[HEZ]B:238 |
1 |
1 |
290 |
f |
C |
x,y,z |
1_555 |
3 |
1 |
10360 |
18.0 |
-0.0 |
0.560 |
0 |
0 |
0 |
0.001 |
61 |
66 |
|
[HEZ]A:236 |
4 |
1 |
293 |
◊ |
C |
x-1/2,-y+3/2,-z+1 |
4_466 |
4 |
3 |
10360 |
17.7 |
0.7 |
0.844 |
0 |
0 |
0 |
0.000 |
62 |
67 |
|
[CA]A:234 |
1 |
1 |
85 |
◊ |
B |
-x+1,y-1/2,-z+3/2 |
3_646 |
4 |
2 |
10940 |
17.3 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.000 |
63 |
68 |
|
[HEZ]A:237 |
2 |
1 |
285 |
◊ |
C |
x-1/2,-y+3/2,-z+1 |
4_466 |
2 |
2 |
10360 |
17.1 |
0.8 |
0.920 |
0 |
0 |
0 |
0.000 |
64 |
69 |
|
[HEZ]D:232 |
3 |
1 |
291 |
f |
A |
x,y,z |
1_555 |
2 |
1 |
10660 |
14.0 |
0.0 |
0.529 |
0 |
0 |
0 |
0.000 |
65 |
70 |
|
A |
2 |
2 |
10660 |
◊ |
C |
-x+1,y-1/2,-z+3/2 |
3_646 |
2 |
1 |
10360 |
10.4 |
0.1 |
0.656 |
0 |
0 |
0 |
0.000 |
66 |
71 |
|
A |
3 |
2 |
10660 |
f |
[HEZ]C:236 |
x-1/2,-y+3/2,-z+1 |
4_466 |
2 |
1 |
288 |
9.8 |
0.4 |
0.796 |
0 |
0 |
0 |
0.000 |
67 |
72 |
|
[HEZ]B:236 |
2 |
1 |
288 |
f |
B |
x-1/2,-y+3/2,-z+2 |
4_467 |
1 |
1 |
10940 |
9.1 |
0.2 |
0.902 |
0 |
0 |
0 |
0.000 |
68 |
73 |
|
[HEZ]B:234 |
1 |
1 |
286 |
f |
[HEZ]B:233 |
x,y,z |
1_555 |
1 |
1 |
287 |
0.3 |
0.0 |
1.000 |
0 |
0 |
0 |
0.000 |
|