## |
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 |
121 |
37 |
20085 |
◊ |
B |
x,y,z |
1_555 |
124 |
39 |
19884 |
1185.2 |
-10.1 |
0.295 |
11 |
1 |
0 |
0.120 |
2 |
|
C |
115 |
36 |
20223 |
◊ |
A |
x,y,z |
1_555 |
120 |
37 |
19905 |
1150.4 |
-10.9 |
0.226 |
14 |
2 |
0 |
0.120 |
Average: |
1167.8 |
-10.5 |
0.260 |
13 |
2 |
0 |
0.120 |
2 |
3 |
|
[S0N]B:501 |
58 |
1 |
1127 |
f |
B |
x,y,z |
1_555 |
97 |
35 |
19884 |
744.1 |
-12.8 |
0.758 |
13 |
0 |
0 |
0.287 |
4 |
|
[S0N]A:501 |
60 |
1 |
1126 |
f |
A |
x,y,z |
1_555 |
95 |
35 |
19905 |
737.1 |
-12.5 |
0.782 |
14 |
0 |
0 |
0.287 |
5 |
|
[S0N]D:501 |
58 |
1 |
1136 |
f |
D |
x,y,z |
1_555 |
98 |
36 |
20085 |
727.0 |
-11.9 |
0.798 |
13 |
0 |
0 |
0.287 |
6 |
|
[S0N]C:508 |
57 |
1 |
1147 |
f |
C |
x,y,z |
1_555 |
94 |
37 |
20223 |
711.8 |
-12.7 |
0.772 |
12 |
0 |
0 |
0.287 |
Average: |
730.0 |
-12.5 |
0.777 |
13 |
0 |
0 |
0.287 |
3 |
7 |
|
D |
74 |
20 |
20085 |
◊ |
A |
x,y,z-1 |
1_554 |
89 |
25 |
19905 |
710.7 |
7.8 |
0.989 |
16 |
14 |
0 |
0.000 |
8 |
|
B |
78 |
25 |
19884 |
◊ |
C |
x,y-1,z |
1_545 |
70 |
18 |
20223 |
672.3 |
6.7 |
0.982 |
8 |
10 |
0 |
0.000 |
Average: |
691.5 |
7.2 |
0.986 |
12 |
12 |
0 |
0.000 |
4 |
9 |
|
D |
53 |
22 |
20085 |
◊ |
C |
x-1,y,z |
1_455 |
60 |
23 |
20223 |
490.7 |
-1.6 |
0.643 |
4 |
1 |
0 |
0.000 |
5 |
10 |
|
A |
36 |
10 |
19905 |
◊ |
C |
x-1,y,z |
1_455 |
27 |
7 |
20223 |
290.2 |
2.9 |
0.921 |
7 |
11 |
0 |
0.000 |
6 |
11 |
|
B |
33 |
11 |
19884 |
◊ |
A |
x,y,z |
1_555 |
31 |
9 |
19905 |
278.5 |
2.6 |
0.864 |
4 |
3 |
0 |
0.000 |
7 |
12 |
|
D |
31 |
11 |
20085 |
◊ |
B |
x-1,y,z |
1_455 |
31 |
10 |
19884 |
245.0 |
-0.4 |
0.681 |
2 |
0 |
0 |
0.000 |
8 |
13 |
|
[PEG]A:510 |
7 |
1 |
259 |
f |
A |
x,y,z |
1_555 |
19 |
6 |
19905 |
122.8 |
2.4 |
0.288 |
0 |
0 |
0 |
0.000 |
9 |
14 |
|
[PEG]C:506 |
7 |
1 |
261 |
f |
C |
x,y,z |
1_555 |
20 |
7 |
20223 |
122.5 |
2.7 |
0.286 |
1 |
0 |
0 |
0.000 |
10 |
15 |
|
D |
16 |
6 |
20085 |
◊ |
C |
x,y,z |
1_555 |
17 |
9 |
20223 |
122.3 |
0.2 |
0.574 |
0 |
0 |
0 |
0.000 |
11 |
16 |
|
[PEG]A:509 |
7 |
1 |
261 |
f |
A |
x,y,z |
1_555 |
21 |
7 |
19905 |
120.9 |
3.4 |
0.401 |
0 |
0 |
0 |
0.000 |
12 |
17 |
|
[PEG]C:507 |
7 |
1 |
254 |
f |
C |
x,y,z |
1_555 |
19 |
6 |
20223 |
119.2 |
2.3 |
0.291 |
2 |
0 |
0 |
0.000 |
13 |
18 |
|
[PEG]A:508 |
6 |
1 |
260 |
◊ |
C |
x,y,z |
1_555 |
15 |
5 |
20223 |
109.2 |
1.7 |
0.286 |
0 |
0 |
0 |
0.000 |
14 |
19 |
|
[PEG]D:507 |
6 |
1 |
259 |
f |
D |
x,y,z |
1_555 |
15 |
7 |
20085 |
101.3 |
1.9 |
0.289 |
1 |
0 |
0 |
0.000 |
15 |
20 |
|
[PEG]D:506 |
7 |
1 |
260 |
◊ |
B |
x,y,z |
1_555 |
16 |
6 |
19884 |
96.8 |
1.7 |
0.235 |
2 |
0 |
0 |
0.000 |
16 |
21 |
|
B |
12 |
4 |
19884 |
x |
B |
x-1,y,z |
1_455 |
6 |
2 |
19884 |
85.0 |
-1.3 |
0.300 |
1 |
0 |
0 |
0.000 |
22 |
|
D |
8 |
2 |
20085 |
x |
D |
x-1,y,z |
1_455 |
9 |
3 |
20085 |
70.6 |
-0.7 |
0.415 |
1 |
0 |
0 |
0.000 |
Average: |
77.8 |
-1.0 |
0.357 |
1 |
0 |
0 |
0.000 |
17 |
23 |
|
[PEG]D:506 |
6 |
1 |
260 |
f |
D |
x,y,z |
1_555 |
11 |
3 |
20085 |
83.2 |
0.6 |
0.164 |
0 |
0 |
0 |
0.000 |
18 |
24 |
|
D |
13 |
5 |
20085 |
◊ |
[S0N]A:501 |
x,y,z-1 |
1_554 |
5 |
1 |
1126 |
79.5 |
-5.3 |
0.100 |
4 |
0 |
0 |
0.000 |
25 |
|
[S0N]B:501 |
5 |
1 |
1127 |
◊ |
C |
x,y-1,z |
1_545 |
13 |
5 |
20223 |
79.4 |
-5.1 |
0.120 |
4 |
0 |
0 |
0.000 |
Average: |
79.4 |
-5.2 |
0.110 |
4 |
0 |
0 |
0.000 |
19 |
26 |
|
[PEG]A:508 |
7 |
1 |
260 |
f |
A |
x,y,z |
1_555 |
14 |
7 |
19905 |
79.4 |
2.1 |
0.262 |
1 |
0 |
0 |
0.000 |
20 |
27 |
|
A |
12 |
6 |
19905 |
x |
A |
x-1,y,z |
1_455 |
13 |
4 |
19905 |
78.8 |
-0.2 |
0.556 |
1 |
0 |
0 |
0.000 |
21 |
28 |
|
[PEG]D:507 |
7 |
1 |
259 |
◊ |
B |
x,y,z |
1_555 |
9 |
4 |
19884 |
76.8 |
1.6 |
0.206 |
1 |
0 |
0 |
0.000 |
22 |
29 |
|
[NA]A:507 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
10 |
5 |
19905 |
64.9 |
-8.4 |
0.000 |
0 |
0 |
0 |
0.057 |
23 |
30 |
|
[NA]C:505 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
10 |
5 |
20223 |
63.3 |
-8.0 |
0.000 |
0 |
0 |
0 |
0.054 |
24 |
31 |
|
[NA]D:505 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
7 |
4 |
20085 |
54.3 |
-6.8 |
0.000 |
0 |
0 |
0 |
0.054 |
25 |
32 |
|
[MG]D:503 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
8 |
6 |
20085 |
54.3 |
-8.5 |
0.000 |
0 |
0 |
0 |
0.067 |
26 |
33 |
|
[NA]B:506 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
7 |
3 |
19884 |
50.7 |
-6.5 |
0.000 |
0 |
0 |
0 |
0.052 |
27 |
34 |
|
[MG]A:503 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
3 |
3 |
19905 |
49.2 |
-9.8 |
0.000 |
0 |
0 |
0 |
0.066 |
28 |
35 |
|
[CA]C:501 |
1 |
1 |
85 |
f |
C |
x,y,z |
1_555 |
11 |
8 |
20223 |
45.1 |
-11.6 |
0.000 |
0 |
0 |
0 |
0.078 |
29 |
36 |
|
[CA]C:503 |
1 |
1 |
85 |
f |
C |
x,y,z |
1_555 |
9 |
5 |
20223 |
44.0 |
-11.7 |
0.000 |
0 |
0 |
0 |
0.079 |
30 |
37 |
|
[CA]B:505 |
1 |
1 |
85 |
f |
B |
x,y,z |
1_555 |
9 |
4 |
19884 |
43.8 |
-9.3 |
0.000 |
0 |
0 |
0 |
0.074 |
38 |
|
[CA]A:505 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
9 |
4 |
19905 |
40.8 |
-9.4 |
0.000 |
0 |
0 |
0 |
0.074 |
Average: |
42.3 |
-9.4 |
0.000 |
0 |
0 |
0 |
0.074 |
31 |
39 |
|
[CA]C:504 |
1 |
1 |
85 |
f |
C |
x,y,z |
1_555 |
10 |
3 |
20223 |
42.7 |
-7.9 |
0.000 |
0 |
0 |
0 |
0.054 |
32 |
40 |
|
[MG]B:503 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
7 |
3 |
19884 |
39.9 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.036 |
33 |
41 |
|
[MG]B:502 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
8 |
3 |
19884 |
39.9 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.058 |
42 |
|
[MG]A:502 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
9 |
3 |
19905 |
39.3 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.058 |
43 |
|
[MG]D:502 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
7 |
3 |
20085 |
31.9 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.058 |
44 |
|
[MG]C:509 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
6 |
3 |
20223 |
31.1 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.058 |
Average: |
35.6 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.058 |
34 |
45 |
|
[MG]A:502 |
1 |
1 |
98 |
f |
[S0N]A:501 |
x,y,z |
1_555 |
4 |
1 |
1126 |
39.7 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.069 |
46 |
|
[MG]B:502 |
1 |
1 |
98 |
f |
[S0N]B:501 |
x,y,z |
1_555 |
5 |
1 |
1127 |
38.4 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.069 |
47 |
|
[MG]D:502 |
1 |
1 |
98 |
f |
[S0N]D:501 |
x,y,z |
1_555 |
3 |
1 |
1136 |
37.2 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.069 |
48 |
|
[MG]C:509 |
1 |
1 |
98 |
f |
[S0N]C:508 |
x,y,z |
1_555 |
6 |
1 |
1147 |
36.0 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.069 |
Average: |
37.8 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.069 |
35 |
49 |
|
[CA]D:504 |
1 |
1 |
85 |
f |
D |
x,y,z |
1_555 |
10 |
5 |
20085 |
38.9 |
-7.2 |
0.000 |
0 |
0 |
0 |
0.057 |
36 |
50 |
|
B |
5 |
2 |
19884 |
f |
[CA]C:502 |
x,y-1,z |
1_545 |
1 |
1 |
85 |
37.9 |
-7.3 |
0.000 |
0 |
0 |
0 |
0.058 |
37 |
51 |
|
[MG]A:504 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
12 |
5 |
19905 |
37.9 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.034 |
52 |
|
[MG]B:504 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
13 |
5 |
19884 |
35.1 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.034 |
Average: |
36.5 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.034 |
38 |
53 |
|
[CA]A:506 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
6 |
3 |
19905 |
37.8 |
-7.5 |
0.000 |
0 |
0 |
0 |
0.050 |
39 |
54 |
|
[NA]B:507 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
5 |
3 |
19884 |
28.6 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.024 |
40 |
55 |
|
[CA]C:504 |
1 |
1 |
85 |
f |
[S0N]C:508 |
x,y,z |
1_555 |
8 |
1 |
1147 |
28.6 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.037 |
41 |
56 |
|
C |
1 |
1 |
20223 |
x |
C |
x-1,y,z |
1_455 |
3 |
1 |
20223 |
26.8 |
-0.5 |
0.184 |
0 |
0 |
0 |
0.000 |
42 |
57 |
|
[NA]B:507 |
1 |
1 |
125 |
◊ |
D |
x,y,z |
1_555 |
3 |
2 |
20085 |
23.2 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.019 |
43 |
58 |
|
[S0N]B:501 |
4 |
1 |
1127 |
◊ |
[MG]C:509 |
x,y-1,z |
1_545 |
1 |
1 |
98 |
20.3 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.000 |
59 |
|
[MG]D:502 |
1 |
1 |
98 |
◊ |
[S0N]A:501 |
x,y,z-1 |
1_554 |
4 |
1 |
1126 |
16.7 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.000 |
Average: |
18.5 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.000 |
44 |
60 |
|
[CA]A:505 |
1 |
1 |
85 |
f |
[S0N]A:501 |
x,y,z |
1_555 |
5 |
1 |
1126 |
19.6 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.026 |
61 |
|
[CA]B:505 |
1 |
1 |
85 |
f |
[S0N]B:501 |
x,y,z |
1_555 |
5 |
1 |
1127 |
19.4 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.026 |
Average: |
19.5 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.026 |
45 |
62 |
|
[PEG]D:507 |
2 |
1 |
259 |
f |
[PEG]D:506 |
x,y,z |
1_555 |
1 |
1 |
260 |
13.4 |
0.4 |
0.229 |
0 |
0 |
0 |
0.000 |
46 |
63 |
|
[S0N]B:501 |
3 |
1 |
1127 |
◊ |
[S0N]C:508 |
x,y-1,z |
1_545 |
1 |
1 |
1147 |
11.6 |
-0.1 |
0.691 |
0 |
0 |
0 |
0.000 |
64 |
|
[S0N]D:501 |
1 |
1 |
1136 |
◊ |
[S0N]A:501 |
x,y,z-1 |
1_554 |
4 |
1 |
1126 |
8.8 |
-0.1 |
0.726 |
0 |
0 |
0 |
0.000 |
Average: |
10.2 |
-0.1 |
0.708 |
0 |
0 |
0 |
0.000 |
47 |
65 |
|
B |
3 |
1 |
19884 |
◊ |
[S0N]C:508 |
x,y-1,z |
1_545 |
2 |
1 |
1147 |
9.9 |
-0.4 |
0.538 |
0 |
0 |
0 |
0.000 |
66 |
|
[S0N]D:501 |
1 |
1 |
1136 |
◊ |
A |
x,y,z-1 |
1_554 |
3 |
1 |
19905 |
5.5 |
-0.2 |
0.497 |
0 |
0 |
0 |
0.000 |
Average: |
7.7 |
-0.3 |
0.517 |
0 |
0 |
0 |
0.000 |
48 |
67 |
|
[CA]C:501 |
1 |
1 |
85 |
f |
[S0N]C:508 |
x,y,z |
1_555 |
1 |
1 |
1147 |
7.8 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.011 |
49 |
68 |
|
[NA]C:505 |
1 |
1 |
125 |
f |
[CA]C:503 |
x,y,z |
1_555 |
1 |
1 |
85 |
6.4 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.011 |
50 |
69 |
|
[NA]C:505 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
19905 |
1.0 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.000 |
51 |
70 |
|
[CA]C:502 |
1 |
1 |
85 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
20223 |
0.2 |
-0.0 |
0.000 |
0 |
0 |
0 |
0.000 |
|