## |
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 |
44 |
14 |
2768 |
◊ |
B |
x,y,z |
1_555 |
43 |
12 |
2692 |
426.7 |
3.6 |
0.833 |
8 |
0 |
0 |
0.021 |
2 |
|
F |
43 |
12 |
2658 |
◊ |
F |
-x,y,-z+2 |
3_557 |
43 |
12 |
2658 |
396.2 |
1.3 |
0.751 |
6 |
0 |
0 |
0.021 |
3 |
|
E |
41 |
14 |
2688 |
◊ |
E |
-x+1/2,-y+1/2,z |
6_555 |
41 |
14 |
2688 |
390.2 |
5.0 |
0.879 |
10 |
0 |
0 |
0.021 |
4 |
|
D |
44 |
13 |
2750 |
◊ |
D |
-x,-y,z |
2_555 |
43 |
13 |
2750 |
385.3 |
1.8 |
0.755 |
6 |
0 |
0 |
0.021 |
5 |
|
A |
38 |
13 |
2733 |
◊ |
A |
-x-1/2,-y+1/2,z |
6_455 |
38 |
13 |
2733 |
308.9 |
2.4 |
0.766 |
8 |
0 |
0 |
0.021 |
Average: |
381.5 |
2.8 |
0.797 |
8 |
0 |
0 |
0.021 |
2 |
6 |
|
B |
39 |
14 |
2692 |
◊ |
A |
x,y,z |
1_555 |
39 |
14 |
2733 |
359.1 |
-4.6 |
0.247 |
8 |
0 |
0 |
0.297 |
7 |
|
D |
39 |
14 |
2750 |
◊ |
C |
x,y,z |
1_555 |
41 |
14 |
2768 |
356.6 |
-4.4 |
0.240 |
8 |
0 |
0 |
0.297 |
8 |
|
F |
41 |
14 |
2658 |
◊ |
E |
x,y,z |
1_555 |
37 |
14 |
2688 |
351.4 |
-4.3 |
0.251 |
8 |
0 |
0 |
0.297 |
Average: |
355.7 |
-4.4 |
0.246 |
8 |
0 |
0 |
0.297 |
3 |
9 |
|
F |
33 |
8 |
2658 |
◊ |
D |
x,y,z |
1_555 |
31 |
9 |
2750 |
291.9 |
-3.4 |
0.291 |
1 |
0 |
0 |
0.226 |
10 |
|
E |
31 |
10 |
2688 |
◊ |
C |
x,y,z |
1_555 |
25 |
6 |
2768 |
263.2 |
-3.4 |
0.240 |
1 |
0 |
0 |
0.226 |
11 |
|
B |
23 |
6 |
2692 |
◊ |
A |
-x,y,-z+3 |
3_558 |
30 |
10 |
2733 |
260.6 |
-4.1 |
0.211 |
0 |
0 |
0 |
0.226 |
Average: |
271.9 |
-3.7 |
0.247 |
1 |
0 |
0 |
0.226 |
4 |
12 |
|
[1PE]B:103 |
12 |
1 |
482 |
◊ |
C |
x,y,z |
1_555 |
18 |
5 |
2768 |
151.2 |
-0.9 |
0.455 |
0 |
0 |
0 |
0.018 |
5 |
13 |
|
A |
12 |
5 |
2733 |
◊ |
A |
-x,y,-z+3 |
3_558 |
13 |
5 |
2733 |
142.7 |
-2.3 |
0.238 |
0 |
0 |
0 |
0.042 |
14 |
|
E |
13 |
5 |
2688 |
◊ |
D |
x,y,z |
1_555 |
11 |
4 |
2750 |
130.8 |
-2.4 |
0.215 |
0 |
0 |
0 |
0.042 |
Average: |
136.8 |
-2.3 |
0.227 |
0 |
0 |
0 |
0.042 |
6 |
15 |
|
[1PE]B:103 |
9 |
1 |
482 |
f |
B |
x,y,z |
1_555 |
16 |
4 |
2692 |
114.1 |
-0.9 |
0.475 |
1 |
0 |
0 |
0.074 |
7 |
16 |
|
[MPD]C:103 |
7 |
1 |
275 |
f |
C |
x,y,z |
1_555 |
19 |
7 |
2768 |
111.8 |
-7.1 |
0.665 |
6 |
0 |
0 |
0.206 |
8 |
17 |
|
[MPD]E:104 |
7 |
1 |
276 |
f |
E |
x,y,z |
1_555 |
16 |
6 |
2688 |
110.6 |
-6.9 |
0.723 |
4 |
0 |
0 |
0.331 |
9 |
18 |
|
[MPD]D:104 |
7 |
1 |
274 |
f |
D |
x,y,z |
1_555 |
18 |
6 |
2750 |
107.2 |
-6.9 |
0.706 |
4 |
0 |
0 |
0.308 |
10 |
19 |
|
[PG0]A:102 |
8 |
1 |
297 |
◊ |
A |
x,y,z |
1_555 |
13 |
5 |
2733 |
105.1 |
2.3 |
0.084 |
1 |
0 |
0 |
0.000 |
11 |
20 |
|
[1PE]B:103 |
8 |
1 |
482 |
◊ |
D |
x,y,z |
1_555 |
16 |
7 |
2750 |
103.8 |
-0.2 |
0.463 |
1 |
0 |
0 |
0.000 |
12 |
21 |
|
[PG0]F:103 |
8 |
1 |
297 |
◊ |
F |
x,y,z |
1_555 |
13 |
5 |
2658 |
100.1 |
2.2 |
0.068 |
1 |
0 |
0 |
0.000 |
13 |
22 |
|
[PG0]D:103 |
8 |
1 |
293 |
◊ |
D |
x,y,z |
1_555 |
12 |
5 |
2750 |
93.2 |
2.3 |
0.102 |
1 |
0 |
0 |
0.000 |
14 |
23 |
|
[PG0]E:103 |
8 |
1 |
293 |
◊ |
E |
x,y,z |
1_555 |
12 |
5 |
2688 |
92.8 |
2.0 |
0.081 |
1 |
0 |
0 |
0.000 |
15 |
24 |
|
[MPD]D:104 |
6 |
1 |
274 |
◊ |
D |
-x,-y,z |
2_555 |
13 |
4 |
2750 |
78.5 |
-5.1 |
0.640 |
0 |
0 |
0 |
0.182 |
16 |
25 |
|
[MPD]E:104 |
5 |
1 |
276 |
◊ |
E |
-x+1/2,-y+1/2,z |
6_555 |
9 |
3 |
2688 |
76.2 |
-5.0 |
0.588 |
0 |
0 |
0 |
0.192 |
17 |
26 |
|
[PG0]A:102 |
4 |
1 |
297 |
◊ |
B |
x,y,z |
1_555 |
7 |
4 |
2692 |
68.4 |
1.5 |
0.242 |
0 |
0 |
0 |
0.000 |
18 |
27 |
|
[PG0]F:103 |
6 |
1 |
297 |
◊ |
E |
x,y,z |
1_555 |
9 |
6 |
2688 |
66.3 |
1.4 |
0.078 |
0 |
0 |
0 |
0.000 |
19 |
28 |
|
[PG0]E:103 |
6 |
1 |
293 |
◊ |
F |
x,y,z |
1_555 |
10 |
6 |
2658 |
62.6 |
1.0 |
0.087 |
0 |
0 |
0 |
0.000 |
20 |
29 |
|
[PG0]F:103 |
4 |
1 |
297 |
◊ |
F |
-x,y,-z+2 |
3_557 |
10 |
3 |
2658 |
61.6 |
1.6 |
0.213 |
0 |
0 |
0 |
0.000 |
21 |
30 |
|
[CL]F:101 |
1 |
1 |
125 |
x |
F |
x,y,z |
1_555 |
12 |
5 |
2658 |
61.5 |
-8.4 |
0.000 |
0 |
0 |
0 |
0.318 |
31 |
|
[CL]A:101 |
1 |
1 |
125 |
x |
A |
x,y,z |
1_555 |
11 |
4 |
2733 |
61.3 |
-8.4 |
0.000 |
0 |
0 |
0 |
0.318 |
32 |
|
[CL]D:101 |
1 |
1 |
125 |
x |
D |
x,y,z |
1_555 |
11 |
4 |
2750 |
61.1 |
-8.6 |
0.000 |
0 |
0 |
0 |
0.318 |
33 |
|
[CL]E:101 |
1 |
1 |
125 |
x |
E |
x,y,z |
1_555 |
11 |
4 |
2688 |
59.7 |
-8.3 |
0.000 |
0 |
0 |
0 |
0.318 |
34 |
|
[CL]B:101 |
1 |
1 |
125 |
x |
B |
x,y,z |
1_555 |
11 |
4 |
2692 |
46.2 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.318 |
35 |
|
[CL]B:101 |
1 |
1 |
125 |
x |
C |
x,y,z |
1_555 |
11 |
4 |
2768 |
46.1 |
-5.3 |
0.000 |
0 |
0 |
0 |
0.318 |
Average: |
56.0 |
-7.4 |
0.000 |
0 |
0 |
0 |
0.318 |
22 |
36 |
|
[CL]F:102 |
1 |
1 |
125 |
f |
F |
x,y,z |
1_555 |
11 |
4 |
2658 |
60.5 |
-8.4 |
0.000 |
0 |
0 |
0 |
0.463 |
37 |
|
[CL]C:101 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
10 |
4 |
2768 |
60.3 |
-8.5 |
0.000 |
0 |
0 |
0 |
0.463 |
38 |
|
[CL]B:102 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
10 |
3 |
2692 |
60.2 |
-8.4 |
0.000 |
0 |
0 |
0 |
0.463 |
Average: |
60.3 |
-8.4 |
0.000 |
0 |
0 |
0 |
0.463 |
23 |
39 |
|
[PG0]A:102 |
4 |
1 |
297 |
◊ |
A |
-x-1/2,-y+1/2,z |
6_455 |
9 |
2 |
2733 |
59.9 |
1.7 |
0.288 |
0 |
0 |
0 |
0.000 |
24 |
40 |
|
[PG0]D:103 |
5 |
1 |
293 |
◊ |
C |
x,y,z |
1_555 |
8 |
5 |
2768 |
59.4 |
0.9 |
0.124 |
0 |
0 |
0 |
0.000 |
25 |
41 |
|
[CL]D:102 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
9 |
5 |
2750 |
55.7 |
-6.8 |
0.000 |
0 |
0 |
0 |
0.241 |
42 |
|
[CL]E:102 |
1 |
1 |
125 |
f |
E |
x,y,z |
1_555 |
13 |
5 |
2688 |
46.3 |
-5.6 |
0.000 |
0 |
0 |
0 |
0.241 |
Average: |
51.0 |
-6.2 |
0.000 |
0 |
0 |
0 |
0.241 |
26 |
43 |
|
[CL]C:102 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
12 |
3 |
2768 |
54.1 |
-6.9 |
0.000 |
0 |
0 |
0 |
0.145 |
27 |
44 |
|
[PG0]D:103 |
5 |
1 |
293 |
◊ |
D |
-x,-y,z |
2_555 |
8 |
2 |
2750 |
53.8 |
1.2 |
0.152 |
1 |
0 |
0 |
0.000 |
28 |
45 |
|
[PG0]E:103 |
5 |
1 |
293 |
◊ |
E |
-x+1/2,-y+1/2,z |
6_555 |
9 |
2 |
2688 |
51.7 |
1.1 |
0.119 |
1 |
0 |
0 |
0.000 |
29 |
46 |
|
[CL]C:102 |
1 |
1 |
125 |
◊ |
E |
x,y,z |
1_555 |
7 |
3 |
2688 |
47.9 |
-5.5 |
0.000 |
0 |
0 |
0 |
0.096 |
30 |
47 |
|
[MPD]E:104 |
3 |
1 |
276 |
◊ |
[PG0]E:103 |
-x+1/2,-y+1/2,z |
6_555 |
5 |
1 |
293 |
42.6 |
-1.0 |
0.156 |
0 |
0 |
0 |
0.039 |
31 |
48 |
|
[MPD]D:104 |
2 |
1 |
274 |
◊ |
[PG0]D:103 |
-x,-y,z |
2_555 |
6 |
1 |
293 |
41.2 |
-1.0 |
0.085 |
0 |
0 |
0 |
0.034 |
32 |
49 |
|
[CL]F:102 |
1 |
1 |
125 |
◊ |
D |
x,y,z |
1_555 |
4 |
1 |
2750 |
35.6 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.236 |
50 |
|
[CL]B:102 |
1 |
1 |
125 |
◊ |
A |
-x,y,-z+3 |
3_558 |
4 |
1 |
2733 |
34.9 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.236 |
51 |
|
[CL]C:101 |
1 |
1 |
125 |
◊ |
E |
x,y,z |
1_555 |
4 |
1 |
2688 |
34.5 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.236 |
Average: |
35.0 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.236 |
33 |
52 |
|
[PG0]F:103 |
3 |
1 |
297 |
f |
[PG0]F:103 |
-x,y,-z+2 |
3_557 |
3 |
1 |
297 |
33.1 |
1.1 |
0.039 |
1 |
0 |
0 |
0.000 |
34 |
53 |
|
E |
4 |
1 |
2688 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
2692 |
33.0 |
1.7 |
0.878 |
0 |
0 |
0 |
0.000 |
54 |
|
F |
4 |
1 |
2658 |
◊ |
D |
-x,y,-z+2 |
3_557 |
3 |
1 |
2750 |
16.0 |
0.4 |
0.737 |
0 |
0 |
0 |
0.000 |
Average: |
24.5 |
1.1 |
0.807 |
0 |
0 |
0 |
0.000 |
35 |
55 |
|
[CL]E:102 |
1 |
1 |
125 |
◊ |
C |
x,y,z |
1_555 |
4 |
2 |
2768 |
30.3 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.092 |
56 |
|
[CL]D:102 |
1 |
1 |
125 |
◊ |
F |
x,y,z |
1_555 |
4 |
2 |
2658 |
27.4 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.092 |
Average: |
28.8 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.092 |
36 |
57 |
|
[PG0]A:102 |
2 |
1 |
297 |
f |
[PG0]A:102 |
-x-1/2,-y+1/2,z |
6_455 |
2 |
1 |
297 |
29.1 |
0.8 |
0.141 |
1 |
0 |
0 |
0.000 |
37 |
58 |
|
[MPD]C:103 |
3 |
1 |
275 |
◊ |
E |
x,y,z |
1_555 |
3 |
1 |
2688 |
28.6 |
-0.5 |
0.952 |
0 |
0 |
0 |
0.010 |
38 |
59 |
|
[PG0]D:103 |
2 |
1 |
293 |
f |
[PG0]D:103 |
-x,-y,z |
2_555 |
2 |
1 |
293 |
26.0 |
1.0 |
0.156 |
1 |
0 |
0 |
0.000 |
39 |
60 |
|
[PG0]E:103 |
2 |
1 |
293 |
f |
[PG0]E:103 |
-x+1/2,-y+1/2,z |
6_555 |
2 |
1 |
293 |
25.0 |
1.2 |
0.156 |
1 |
0 |
0 |
0.000 |
40 |
61 |
|
F |
4 |
1 |
2658 |
◊ |
C |
x,y,z |
1_555 |
5 |
1 |
2768 |
23.7 |
0.2 |
0.658 |
0 |
0 |
0 |
0.000 |
62 |
|
B |
5 |
1 |
2692 |
◊ |
B |
-x,y,-z+3 |
3_558 |
5 |
1 |
2692 |
23.1 |
0.2 |
0.657 |
0 |
0 |
0 |
0.000 |
Average: |
23.4 |
0.2 |
0.658 |
0 |
0 |
0 |
0.000 |
41 |
63 |
|
C |
1 |
1 |
2768 |
◊ |
B |
-x+1/2,-y+1/2,z |
6_555 |
3 |
1 |
2692 |
17.2 |
0.1 |
0.593 |
0 |
0 |
0 |
0.000 |
42 |
64 |
|
[1PE]B:103 |
2 |
1 |
482 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
2733 |
12.7 |
0.0 |
0.526 |
0 |
0 |
0 |
0.000 |
43 |
65 |
|
[1PE]B:103 |
4 |
1 |
482 |
◊ |
[CL]B:101 |
x,y,z |
1_555 |
1 |
1 |
125 |
11.6 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.024 |
44 |
66 |
|
[PG0]A:102 |
2 |
1 |
297 |
fx |
[CL]A:101 |
x,y,z |
1_555 |
1 |
1 |
125 |
5.3 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.428 |
67 |
|
[PG0]E:103 |
1 |
1 |
293 |
fx |
[CL]E:101 |
x,y,z |
1_555 |
1 |
1 |
125 |
4.9 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.428 |
68 |
|
[PG0]D:103 |
2 |
1 |
293 |
fx |
[CL]D:101 |
x,y,z |
1_555 |
1 |
1 |
125 |
4.5 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.428 |
Average: |
4.9 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.428 |
45 |
69 |
|
[PG0]F:103 |
2 |
1 |
297 |
fx |
[CL]F:101 |
x,y,z |
1_555 |
1 |
1 |
125 |
4.3 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.590 |
46 |
70 |
|
[MPD]C:103 |
1 |
1 |
275 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
2692 |
0.7 |
-0.0 |
0.000 |
0 |
0 |
0 |
0.000 |
47 |
71 |
|
[MPD]C:103 |
1 |
1 |
275 |
◊ |
[CL]E:102 |
x,y,z |
1_555 |
1 |
1 |
125 |
0.3 |
-0.0 |
0.000 |
0 |
0 |
0 |
0.000 |
48 |
72 |
|
[CL]B:102 |
1 |
1 |
125 |
◊ |
[CL]B:102 |
-x,y,-z+3 |
3_558 |
1 |
1 |
125 |
0.2 |
-0.0 |
0.000 |
0 |
0 |
0 |
0.000 |
|