## |
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 |
223 |
65 |
38827 |
◊ |
A |
x,y,z |
1_555 |
223 |
65 |
38866 |
2240.6 |
-11.0 |
0.379 |
27 |
15 |
0 |
0.486 |
2 |
|
C |
223 |
62 |
38698 |
◊ |
B |
x,y,z |
1_555 |
225 |
64 |
38937 |
2237.9 |
-13.4 |
0.278 |
28 |
14 |
0 |
0.486 |
Average: |
2239.2 |
-12.2 |
0.329 |
28 |
15 |
0 |
0.486 |
2 |
3 |
|
D |
199 |
60 |
38827 |
◊ |
C |
x,y,z |
1_555 |
202 |
59 |
38698 |
1957.1 |
-10.2 |
0.380 |
29 |
7 |
0 |
0.429 |
4 |
|
B |
204 |
60 |
38937 |
◊ |
A |
x,y,z |
1_555 |
197 |
59 |
38866 |
1953.3 |
-9.9 |
0.383 |
21 |
6 |
0 |
0.429 |
Average: |
1955.2 |
-10.0 |
0.381 |
25 |
7 |
0 |
0.429 |
3 |
5 |
|
D |
63 |
20 |
38827 |
◊ |
A |
-x+1,y-1/2,-z |
2_645 |
61 |
19 |
38866 |
525.0 |
-1.3 |
0.606 |
5 |
2 |
0 |
0.000 |
4 |
6 |
|
B |
63 |
24 |
38937 |
◊ |
C |
-x+2,y-1/2,-z+1 |
2_746 |
64 |
21 |
38698 |
507.6 |
1.4 |
0.800 |
7 |
1 |
0 |
0.000 |
5 |
7 |
|
B |
36 |
14 |
38937 |
◊ |
A |
-x+1,y-1/2,-z+1 |
2_646 |
52 |
18 |
38866 |
385.2 |
-1.7 |
0.463 |
1 |
0 |
0 |
0.000 |
6 |
8 |
|
B |
34 |
12 |
38937 |
◊ |
D |
-x+2,y-1/2,-z |
2_745 |
26 |
7 |
38827 |
271.2 |
-1.0 |
0.529 |
1 |
1 |
0 |
0.000 |
7 |
9 |
|
D |
33 |
11 |
38827 |
◊ |
C |
-x+2,y-1/2,-z |
2_745 |
35 |
10 |
38698 |
269.3 |
2.3 |
0.862 |
2 |
1 |
0 |
0.000 |
8 |
10 |
|
[GTZ]C:2001 |
14 |
1 |
327 |
f |
C |
x,y,z |
1_555 |
37 |
14 |
38698 |
212.1 |
2.4 |
0.428 |
5 |
0 |
0 |
0.005 |
11 |
|
[GTZ]A:2001 |
14 |
1 |
327 |
f |
A |
x,y,z |
1_555 |
39 |
14 |
38866 |
212.1 |
2.4 |
0.452 |
5 |
0 |
0 |
0.005 |
12 |
|
[GTZ]D:2001 |
14 |
1 |
327 |
f |
D |
x,y,z |
1_555 |
37 |
15 |
38827 |
209.6 |
2.5 |
0.438 |
5 |
0 |
0 |
0.005 |
13 |
|
[GTZ]B:2001 |
14 |
1 |
327 |
f |
B |
x,y,z |
1_555 |
37 |
15 |
38937 |
209.4 |
1.3 |
0.278 |
4 |
0 |
0 |
0.005 |
Average: |
210.8 |
2.2 |
0.399 |
5 |
0 |
0 |
0.005 |
9 |
14 |
|
A |
31 |
11 |
38866 |
◊ |
C |
x-1,y,z |
1_455 |
25 |
9 |
38698 |
183.9 |
-1.2 |
0.471 |
0 |
0 |
0 |
0.000 |
10 |
15 |
|
[DMS]A:8001 |
4 |
1 |
215 |
f |
A |
x,y,z |
1_555 |
25 |
14 |
38866 |
147.8 |
3.5 |
0.604 |
1 |
0 |
0 |
0.000 |
11 |
16 |
|
[DMS]B:8002 |
4 |
1 |
215 |
f |
B |
x,y,z |
1_555 |
26 |
13 |
38937 |
145.7 |
4.0 |
0.636 |
1 |
0 |
0 |
0.000 |
12 |
17 |
|
[DMS]C:8003 |
4 |
1 |
214 |
f |
C |
x,y,z |
1_555 |
24 |
14 |
38698 |
142.9 |
3.7 |
0.597 |
1 |
0 |
0 |
0.000 |
13 |
18 |
|
[DMS]D:8002 |
4 |
1 |
214 |
f |
D |
x,y,z |
1_555 |
24 |
12 |
38827 |
142.0 |
3.6 |
0.593 |
1 |
0 |
0 |
0.000 |
14 |
19 |
|
[DMS]D:8001 |
4 |
1 |
215 |
f |
D |
x,y,z |
1_555 |
24 |
10 |
38827 |
138.4 |
4.2 |
0.697 |
1 |
0 |
0 |
0.000 |
15 |
20 |
|
[DMS]B:8001 |
4 |
1 |
214 |
f |
B |
x,y,z |
1_555 |
24 |
11 |
38937 |
138.0 |
4.1 |
0.689 |
1 |
0 |
0 |
0.000 |
16 |
21 |
|
[DMS]C:8001 |
4 |
1 |
214 |
f |
C |
x,y,z |
1_555 |
26 |
11 |
38698 |
136.8 |
4.1 |
0.690 |
1 |
0 |
0 |
0.000 |
17 |
22 |
|
[DMS]A:8002 |
4 |
1 |
215 |
f |
A |
x,y,z |
1_555 |
25 |
13 |
38866 |
136.7 |
2.9 |
0.498 |
0 |
0 |
0 |
0.000 |
18 |
23 |
|
[DMS]C:8002 |
4 |
1 |
214 |
f |
C |
x,y,z |
1_555 |
21 |
9 |
38698 |
128.7 |
5.8 |
0.655 |
2 |
0 |
0 |
0.000 |
19 |
24 |
|
[DMS]D:8006 |
4 |
1 |
215 |
f |
D |
x,y,z |
1_555 |
13 |
6 |
38827 |
120.6 |
2.4 |
0.434 |
3 |
0 |
0 |
0.000 |
20 |
25 |
|
[DMS]B:8006 |
4 |
1 |
215 |
f |
B |
x,y,z |
1_555 |
17 |
9 |
38937 |
118.4 |
2.3 |
0.550 |
1 |
0 |
0 |
0.000 |
21 |
26 |
|
[DMS]A:8006 |
4 |
1 |
216 |
f |
D |
x,y,z |
1_555 |
17 |
8 |
38827 |
117.5 |
1.3 |
0.341 |
1 |
0 |
0 |
0.000 |
22 |
27 |
|
[DMS]B:8003 |
4 |
1 |
214 |
f |
B |
x,y,z |
1_555 |
19 |
10 |
38937 |
116.3 |
2.2 |
0.469 |
1 |
0 |
0 |
0.000 |
23 |
28 |
|
[DMS]C:8005 |
4 |
1 |
214 |
f |
C |
x,y,z |
1_555 |
16 |
7 |
38698 |
116.3 |
2.5 |
0.439 |
2 |
0 |
0 |
0.000 |
24 |
29 |
|
[DMS]C:8008 |
4 |
1 |
214 |
◊ |
C |
x,y,z |
1_555 |
13 |
6 |
38698 |
113.2 |
2.1 |
0.417 |
1 |
0 |
0 |
0.000 |
25 |
30 |
|
[DMS]D:8005 |
4 |
1 |
215 |
f |
D |
x,y,z |
1_555 |
17 |
11 |
38827 |
113.2 |
3.5 |
0.554 |
1 |
0 |
0 |
0.000 |
26 |
31 |
|
[DMS]D:8004 |
4 |
1 |
215 |
◊ |
D |
x,y,z |
1_555 |
21 |
6 |
38827 |
112.8 |
1.9 |
0.503 |
0 |
0 |
0 |
0.000 |
27 |
32 |
|
[DMS]B:8005 |
4 |
1 |
214 |
f |
B |
x,y,z |
1_555 |
15 |
7 |
38937 |
108.2 |
2.5 |
0.569 |
2 |
0 |
0 |
0.000 |
28 |
33 |
|
[DMS]A:8004 |
4 |
1 |
212 |
f |
A |
x,y,z |
1_555 |
19 |
6 |
38866 |
107.4 |
2.8 |
0.586 |
0 |
0 |
0 |
0.000 |
29 |
34 |
|
[DMS]D:8007 |
4 |
1 |
215 |
f |
D |
x,y,z |
1_555 |
18 |
8 |
38827 |
105.1 |
1.4 |
0.335 |
0 |
0 |
0 |
0.000 |
30 |
35 |
|
[DMS]D:8003 |
4 |
1 |
216 |
f |
D |
x,y,z |
1_555 |
14 |
8 |
38827 |
104.2 |
3.3 |
0.533 |
1 |
0 |
0 |
0.000 |
31 |
36 |
|
[DMS]C:8007 |
4 |
1 |
214 |
f |
C |
x,y,z |
1_555 |
18 |
7 |
38698 |
103.6 |
1.9 |
0.471 |
0 |
0 |
0 |
0.000 |
32 |
37 |
|
[DMS]B:8004 |
4 |
1 |
214 |
f |
B |
x,y,z |
1_555 |
12 |
8 |
38937 |
98.0 |
2.6 |
0.505 |
1 |
0 |
0 |
0.000 |
33 |
38 |
|
[DMS]C:8004 |
4 |
1 |
215 |
f |
C |
x,y,z |
1_555 |
13 |
8 |
38698 |
97.0 |
2.4 |
0.525 |
1 |
0 |
0 |
0.000 |
34 |
39 |
|
[DMS]A:8003 |
4 |
1 |
214 |
f |
A |
x,y,z |
1_555 |
12 |
8 |
38866 |
96.7 |
2.8 |
0.524 |
1 |
0 |
0 |
0.000 |
35 |
40 |
|
[DMS]B:8007 |
4 |
1 |
214 |
f |
B |
x,y,z |
1_555 |
16 |
5 |
38937 |
90.7 |
2.1 |
0.483 |
1 |
0 |
0 |
0.000 |
36 |
41 |
|
[DMS]A:8005 |
4 |
1 |
215 |
f |
A |
x,y,z |
1_555 |
15 |
5 |
38866 |
90.0 |
1.5 |
0.329 |
2 |
0 |
0 |
0.000 |
37 |
42 |
|
[DMS]B:8008 |
4 |
1 |
214 |
f |
B |
x,y,z |
1_555 |
12 |
6 |
38937 |
90.0 |
1.1 |
0.422 |
1 |
0 |
0 |
0.000 |
38 |
43 |
|
[DMS]C:8006 |
4 |
1 |
214 |
f |
C |
x,y,z |
1_555 |
13 |
4 |
38698 |
88.9 |
0.4 |
0.345 |
2 |
0 |
0 |
0.009 |
39 |
44 |
|
C |
11 |
4 |
38698 |
◊ |
A |
x,y,z |
1_555 |
11 |
4 |
38866 |
87.9 |
0.7 |
0.764 |
2 |
0 |
0 |
0.001 |
45 |
|
D |
12 |
4 |
38827 |
◊ |
B |
x,y,z |
1_555 |
13 |
4 |
38937 |
87.6 |
0.9 |
0.777 |
2 |
0 |
0 |
0.001 |
Average: |
87.8 |
0.8 |
0.770 |
2 |
0 |
0 |
0.001 |
40 |
46 |
|
[DMS]A:8006 |
4 |
1 |
216 |
◊ |
A |
x,y,z |
1_555 |
9 |
4 |
38866 |
70.4 |
1.9 |
0.469 |
0 |
0 |
0 |
0.000 |
41 |
47 |
|
[NA]C:3102 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
14 |
8 |
38698 |
68.6 |
-11.2 |
0.000 |
0 |
0 |
0 |
0.412 |
48 |
|
[NA]D:3102 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
14 |
8 |
38827 |
68.0 |
-11.0 |
0.000 |
0 |
0 |
0 |
0.412 |
49 |
|
[NA]A:2102 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
14 |
8 |
38866 |
68.0 |
-10.8 |
0.000 |
0 |
0 |
0 |
0.412 |
50 |
|
[NA]B:3102 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
14 |
8 |
38937 |
67.9 |
-10.9 |
0.000 |
0 |
0 |
0 |
0.412 |
Average: |
68.1 |
-11.0 |
0.000 |
0 |
0 |
0 |
0.412 |
42 |
51 |
|
[NA]A:3101 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
12 |
7 |
38866 |
55.7 |
-8.8 |
0.000 |
0 |
0 |
0 |
0.332 |
52 |
|
[NA]C:3101 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
14 |
7 |
38698 |
55.2 |
-8.7 |
0.000 |
0 |
0 |
0 |
0.332 |
53 |
|
[NA]D:3101 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
10 |
7 |
38827 |
54.0 |
-8.6 |
0.000 |
0 |
0 |
0 |
0.332 |
54 |
|
[NA]B:3101 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
12 |
8 |
38937 |
53.1 |
-8.7 |
0.000 |
0 |
0 |
0 |
0.332 |
Average: |
54.5 |
-8.7 |
0.000 |
0 |
0 |
0 |
0.332 |
43 |
55 |
|
[MG]D:3001 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
9 |
6 |
38827 |
43.7 |
-7.7 |
0.000 |
0 |
0 |
0 |
0.292 |
56 |
|
[MG]A:3001 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
10 |
6 |
38866 |
43.5 |
-7.6 |
0.000 |
0 |
0 |
0 |
0.292 |
57 |
|
[MG]B:3001 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
12 |
7 |
38937 |
43.3 |
-7.8 |
0.000 |
0 |
0 |
0 |
0.292 |
58 |
|
[MG]C:3001 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
7 |
5 |
38698 |
42.9 |
-8.2 |
0.000 |
0 |
0 |
0 |
0.292 |
Average: |
43.4 |
-7.8 |
0.000 |
0 |
0 |
0 |
0.292 |
44 |
59 |
|
[DMS]D:8004 |
3 |
1 |
215 |
f |
A |
-x+1,y-1/2,-z |
2_645 |
3 |
1 |
38866 |
41.7 |
1.4 |
0.428 |
0 |
0 |
0 |
0.000 |
45 |
60 |
|
A |
4 |
1 |
38866 |
◊ |
B |
x-1,y,z |
1_455 |
5 |
2 |
38937 |
38.0 |
0.4 |
0.748 |
1 |
1 |
0 |
0.000 |
46 |
61 |
|
[NA]D:3101 |
1 |
1 |
125 |
f |
[GTZ]D:2001 |
x,y,z |
1_555 |
4 |
1 |
327 |
34.6 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.115 |
62 |
|
[NA]B:3101 |
1 |
1 |
125 |
f |
[GTZ]B:2001 |
x,y,z |
1_555 |
4 |
1 |
327 |
34.1 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.115 |
63 |
|
[NA]A:3101 |
1 |
1 |
125 |
f |
[GTZ]A:2001 |
x,y,z |
1_555 |
4 |
1 |
327 |
33.6 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.115 |
64 |
|
[NA]C:3101 |
1 |
1 |
125 |
f |
[GTZ]C:2001 |
x,y,z |
1_555 |
4 |
1 |
327 |
33.3 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.115 |
Average: |
33.9 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.115 |
47 |
65 |
|
[DMS]B:8008 |
2 |
1 |
214 |
f |
[DMS]B:8004 |
x,y,z |
1_555 |
1 |
1 |
214 |
30.4 |
1.0 |
0.468 |
0 |
0 |
0 |
0.000 |
48 |
66 |
|
B |
3 |
1 |
38937 |
f |
[DMS]C:8008 |
-x+2,y-1/2,-z+1 |
2_746 |
1 |
1 |
214 |
26.5 |
0.8 |
0.437 |
0 |
0 |
0 |
0.000 |
49 |
67 |
|
[MG]D:3001 |
1 |
1 |
98 |
f |
[GTZ]D:2001 |
x,y,z |
1_555 |
5 |
1 |
327 |
19.9 |
-1.9 |
0.000 |
0 |
0 |
0 |
0.074 |
68 |
|
[MG]B:3001 |
1 |
1 |
98 |
f |
[GTZ]B:2001 |
x,y,z |
1_555 |
4 |
1 |
327 |
19.7 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.074 |
69 |
|
[MG]A:3001 |
1 |
1 |
98 |
f |
[GTZ]A:2001 |
x,y,z |
1_555 |
5 |
1 |
327 |
19.7 |
-1.9 |
0.000 |
0 |
0 |
0 |
0.074 |
70 |
|
[MG]C:3001 |
1 |
1 |
98 |
f |
[GTZ]C:2001 |
x,y,z |
1_555 |
5 |
1 |
327 |
17.4 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.074 |
Average: |
19.2 |
-1.9 |
0.000 |
0 |
0 |
0 |
0.074 |
50 |
71 |
|
[DMS]B:8006 |
1 |
1 |
215 |
f |
[DMS]B:8004 |
x,y,z |
1_555 |
3 |
1 |
214 |
9.7 |
0.5 |
0.319 |
0 |
0 |
0 |
0.000 |
|