## |
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 |
125 |
48 |
31721 |
◊ |
C |
-x+3/2,y-1/2,-z+1 |
3_646 |
144 |
53 |
31579 |
1167.2 |
-6.0 |
0.325 |
5 |
0 |
0 |
0.000 |
2 |
|
F |
132 |
44 |
31688 |
◊ |
E |
-x+3/2,y-1/2,-z+2 |
3_647 |
129 |
43 |
31899 |
1153.1 |
-2.7 |
0.466 |
6 |
0 |
0 |
0.000 |
3 |
|
G |
112 |
38 |
31543 |
◊ |
H |
-x+3/2,y-1/2,-z+1 |
3_646 |
118 |
38 |
30960 |
955.7 |
-3.1 |
0.464 |
3 |
0 |
0 |
0.000 |
4 |
|
B |
54 |
19 |
28014 |
◊ |
A |
-x+3/2,y-1/2,-z+2 |
3_647 |
43 |
15 |
31552 |
417.1 |
-2.8 |
0.345 |
1 |
0 |
0 |
0.000 |
Average: |
923.3 |
-3.7 |
0.400 |
4 |
0 |
0 |
0.000 |
2 |
5 |
|
G |
102 |
33 |
31543 |
◊ |
D |
x,y,z |
1_555 |
101 |
33 |
31721 |
998.1 |
-9.5 |
0.103 |
3 |
0 |
0 |
0.000 |
6 |
|
H |
102 |
33 |
30960 |
◊ |
C |
x,y,z |
1_555 |
102 |
33 |
31579 |
996.0 |
-8.4 |
0.139 |
3 |
0 |
0 |
0.000 |
7 |
|
F |
108 |
34 |
31688 |
◊ |
B |
x,y,z |
1_555 |
102 |
33 |
28014 |
992.1 |
-8.1 |
0.166 |
4 |
0 |
0 |
0.000 |
8 |
|
E |
102 |
33 |
31899 |
◊ |
A |
x,y,z |
1_555 |
101 |
33 |
31552 |
974.2 |
-9.2 |
0.107 |
4 |
0 |
0 |
0.000 |
Average: |
990.1 |
-8.8 |
0.129 |
4 |
0 |
0 |
0.000 |
3 |
9 |
|
B |
67 |
21 |
28014 |
◊ |
A |
x,y,z |
1_555 |
64 |
22 |
31552 |
566.9 |
-2.3 |
0.438 |
3 |
0 |
0 |
0.000 |
10 |
|
D |
65 |
20 |
31721 |
◊ |
C |
x,y,z |
1_555 |
64 |
20 |
31579 |
528.4 |
-3.9 |
0.288 |
1 |
0 |
0 |
0.000 |
Average: |
547.7 |
-3.1 |
0.363 |
2 |
0 |
0 |
0.000 |
4 |
11 |
|
H |
64 |
21 |
30960 |
◊ |
F |
-x+2,-y,z |
2_755 |
71 |
19 |
31688 |
559.6 |
-3.1 |
0.360 |
2 |
1 |
0 |
0.000 |
5 |
12 |
|
G |
66 |
20 |
31543 |
◊ |
E |
-x+1,-y,z |
2_655 |
62 |
20 |
31899 |
530.2 |
-3.6 |
0.322 |
1 |
1 |
0 |
0.000 |
6 |
13 |
|
[ACR]D:5044 |
40 |
1 |
755 |
f |
D |
x,y,z |
1_555 |
69 |
27 |
31721 |
470.4 |
-11.1 |
0.434 |
11 |
0 |
0 |
0.062 |
14 |
|
[ACR]E:5044 |
40 |
1 |
751 |
f |
E |
x,y,z |
1_555 |
73 |
28 |
31899 |
468.6 |
-11.1 |
0.429 |
10 |
0 |
0 |
0.062 |
15 |
|
[ACR]C:5044 |
40 |
1 |
752 |
f |
C |
x,y,z |
1_555 |
72 |
27 |
31579 |
468.3 |
-10.6 |
0.482 |
11 |
0 |
0 |
0.062 |
16 |
|
[ACR]H:5044 |
41 |
1 |
751 |
f |
H |
x,y,z |
1_555 |
73 |
27 |
30960 |
467.9 |
-11.0 |
0.458 |
10 |
0 |
0 |
0.062 |
17 |
|
[ACR]B:5044 |
40 |
1 |
754 |
f |
B |
x,y,z |
1_555 |
71 |
28 |
28014 |
466.0 |
-11.3 |
0.436 |
9 |
0 |
0 |
0.062 |
18 |
|
[ACR]F:5044 |
41 |
1 |
753 |
f |
F |
x,y,z |
1_555 |
70 |
27 |
31688 |
465.8 |
-11.1 |
0.451 |
11 |
0 |
0 |
0.062 |
19 |
|
[ACR]A:5044 |
40 |
1 |
758 |
f |
A |
x,y,z |
1_555 |
71 |
27 |
31552 |
465.1 |
-11.2 |
0.439 |
11 |
0 |
0 |
0.062 |
20 |
|
[ACR]G:5044 |
40 |
1 |
755 |
f |
G |
x,y,z |
1_555 |
71 |
28 |
31543 |
463.0 |
-11.3 |
0.433 |
9 |
0 |
0 |
0.062 |
Average: |
466.9 |
-11.1 |
0.445 |
10 |
0 |
0 |
0.062 |
7 |
21 |
|
G |
35 |
11 |
31543 |
◊ |
A |
x,y,z |
1_555 |
31 |
11 |
31552 |
278.0 |
5.7 |
0.959 |
6 |
5 |
0 |
0.000 |
8 |
22 |
|
G |
28 |
11 |
31543 |
◊ |
E |
x,y,z |
1_555 |
39 |
13 |
31899 |
248.1 |
-0.3 |
0.544 |
4 |
0 |
0 |
0.000 |
23 |
|
D |
37 |
13 |
31721 |
◊ |
A |
x,y,z |
1_555 |
26 |
10 |
31552 |
245.2 |
-0.2 |
0.568 |
4 |
0 |
0 |
0.000 |
Average: |
246.7 |
-0.2 |
0.556 |
4 |
0 |
0 |
0.000 |
9 |
24 |
|
G |
21 |
7 |
31543 |
◊ |
B |
x,y,z |
1_555 |
30 |
11 |
28014 |
246.1 |
-2.6 |
0.225 |
2 |
1 |
0 |
0.000 |
10 |
25 |
|
E |
28 |
9 |
31899 |
◊ |
E |
-x+1,-y,z |
2_655 |
28 |
9 |
31899 |
220.2 |
0.5 |
0.655 |
2 |
0 |
0 |
0.000 |
11 |
26 |
|
[MES]D:5001 |
11 |
1 |
333 |
◊ |
D |
x,y,z |
1_555 |
19 |
6 |
31721 |
147.9 |
2.3 |
0.132 |
0 |
0 |
0 |
0.000 |
12 |
27 |
|
[MES]H:5001 |
12 |
1 |
330 |
◊ |
H |
x,y,z |
1_555 |
23 |
9 |
30960 |
144.0 |
1.8 |
0.090 |
0 |
0 |
0 |
0.000 |
28 |
|
[MES]G:5001 |
11 |
1 |
323 |
◊ |
G |
x,y,z |
1_555 |
20 |
7 |
31543 |
138.5 |
1.3 |
0.098 |
0 |
0 |
0 |
0.000 |
Average: |
141.3 |
1.6 |
0.094 |
0 |
0 |
0 |
0.000 |
13 |
29 |
|
[MES]C:5001 |
12 |
1 |
333 |
◊ |
C |
x,y,z |
1_555 |
21 |
7 |
31579 |
142.2 |
1.5 |
0.079 |
0 |
0 |
0 |
0.000 |
14 |
30 |
|
[MES]B:5001 |
12 |
1 |
327 |
f |
B |
x,y,z |
1_555 |
20 |
7 |
28014 |
138.8 |
1.3 |
0.083 |
0 |
0 |
0 |
0.000 |
15 |
31 |
|
[MES]E:5001 |
12 |
1 |
331 |
◊ |
E |
x,y,z |
1_555 |
20 |
6 |
31899 |
138.2 |
1.6 |
0.090 |
0 |
0 |
0 |
0.000 |
16 |
32 |
|
[MES]F:5001 |
11 |
1 |
325 |
f |
F |
x,y,z |
1_555 |
20 |
6 |
31688 |
135.4 |
1.2 |
0.099 |
0 |
0 |
0 |
0.000 |
17 |
33 |
|
[MES]A:5001 |
12 |
1 |
326 |
f |
A |
x,y,z |
1_555 |
18 |
5 |
31552 |
128.9 |
1.3 |
0.072 |
0 |
0 |
0 |
0.000 |
18 |
34 |
|
B |
13 |
6 |
28014 |
◊ |
E |
-x+3/2,y-1/2,-z+2 |
3_647 |
8 |
4 |
31899 |
76.0 |
-0.6 |
0.373 |
0 |
0 |
0 |
0.000 |
35 |
|
D |
5 |
3 |
31721 |
◊ |
H |
-x+3/2,y-1/2,-z+1 |
3_646 |
8 |
4 |
30960 |
48.6 |
0.0 |
0.543 |
0 |
0 |
0 |
0.000 |
36 |
|
G |
4 |
2 |
31543 |
◊ |
C |
-x+3/2,y-1/2,-z+1 |
3_646 |
4 |
3 |
31579 |
37.8 |
-0.2 |
0.473 |
0 |
0 |
0 |
0.000 |
37 |
|
F |
6 |
4 |
31688 |
◊ |
A |
-x+3/2,y-1/2,-z+2 |
3_647 |
6 |
4 |
31552 |
37.0 |
-0.2 |
0.529 |
0 |
0 |
0 |
0.000 |
Average: |
49.8 |
-0.2 |
0.479 |
0 |
0 |
0 |
0.000 |
19 |
38 |
|
C |
7 |
4 |
31579 |
◊ |
B |
x,y,z |
1_555 |
8 |
4 |
28014 |
67.1 |
-0.1 |
0.554 |
1 |
0 |
0 |
0.000 |
20 |
39 |
|
G |
10 |
4 |
31543 |
◊ |
D |
-x+1,-y,z |
2_655 |
5 |
2 |
31721 |
59.9 |
-1.0 |
0.237 |
0 |
0 |
0 |
0.000 |
21 |
40 |
|
[MES]C:5001 |
7 |
1 |
333 |
f |
H |
x,y,z |
1_555 |
6 |
2 |
30960 |
51.2 |
1.4 |
0.190 |
0 |
0 |
0 |
0.000 |
41 |
|
[MES]H:5001 |
7 |
1 |
330 |
f |
C |
x,y,z |
1_555 |
6 |
2 |
31579 |
47.5 |
1.4 |
0.170 |
0 |
0 |
0 |
0.000 |
42 |
|
[MES]G:5001 |
6 |
1 |
323 |
f |
D |
x,y,z |
1_555 |
5 |
1 |
31721 |
41.8 |
1.3 |
0.230 |
0 |
0 |
0 |
0.000 |
Average: |
46.8 |
1.4 |
0.197 |
0 |
0 |
0 |
0.000 |
22 |
43 |
|
[MES]A:5001 |
7 |
1 |
326 |
◊ |
E |
x,y,z |
1_555 |
5 |
1 |
31899 |
49.9 |
1.7 |
0.231 |
0 |
0 |
0 |
0.000 |
23 |
44 |
|
[MES]E:5001 |
8 |
1 |
331 |
f |
A |
x,y,z |
1_555 |
5 |
1 |
31552 |
46.7 |
1.4 |
0.169 |
0 |
0 |
0 |
0.000 |
24 |
45 |
|
[MES]F:5001 |
7 |
1 |
325 |
◊ |
B |
x,y,z |
1_555 |
5 |
1 |
28014 |
45.0 |
1.3 |
0.202 |
0 |
0 |
0 |
0.000 |
25 |
46 |
|
[CA]B:4001 |
1 |
1 |
85 |
f |
B |
x,y,z |
1_555 |
4 |
4 |
28014 |
43.6 |
-12.9 |
0.000 |
0 |
0 |
0 |
0.049 |
47 |
|
[CA]F:4001 |
1 |
1 |
85 |
f |
F |
x,y,z |
1_555 |
5 |
5 |
31688 |
43.4 |
-12.9 |
0.000 |
0 |
0 |
0 |
0.049 |
48 |
|
[CA]G:4001 |
1 |
1 |
85 |
f |
G |
x,y,z |
1_555 |
4 |
4 |
31543 |
43.4 |
-12.9 |
0.000 |
0 |
0 |
0 |
0.049 |
49 |
|
[CA]C:4001 |
1 |
1 |
85 |
f |
C |
x,y,z |
1_555 |
4 |
3 |
31579 |
43.4 |
-12.9 |
0.000 |
0 |
0 |
0 |
0.049 |
50 |
|
[CA]E:4001 |
1 |
1 |
85 |
f |
E |
x,y,z |
1_555 |
5 |
5 |
31899 |
43.0 |
-12.9 |
0.000 |
0 |
0 |
0 |
0.049 |
51 |
|
[CA]H:4001 |
1 |
1 |
85 |
f |
H |
x,y,z |
1_555 |
4 |
4 |
30960 |
42.8 |
-12.9 |
0.000 |
0 |
0 |
0 |
0.049 |
52 |
|
[CA]D:4001 |
1 |
1 |
85 |
f |
D |
x,y,z |
1_555 |
3 |
3 |
31721 |
42.6 |
-12.7 |
0.000 |
0 |
0 |
0 |
0.049 |
53 |
|
[CA]A:4001 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
1 |
1 |
31552 |
42.6 |
-12.7 |
0.000 |
0 |
0 |
0 |
0.049 |
Average: |
43.1 |
-12.8 |
0.000 |
0 |
0 |
0 |
0.049 |
26 |
54 |
|
C |
5 |
1 |
31579 |
◊ |
A |
x,y,z |
1_555 |
9 |
4 |
31552 |
42.6 |
0.0 |
0.546 |
0 |
0 |
0 |
0.000 |
27 |
55 |
|
[MES]B:5001 |
7 |
1 |
327 |
◊ |
F |
x,y,z |
1_555 |
6 |
2 |
31688 |
41.8 |
1.5 |
0.207 |
0 |
0 |
0 |
0.000 |
28 |
56 |
|
[MES]D:5001 |
5 |
1 |
333 |
f |
G |
x,y,z |
1_555 |
5 |
1 |
31543 |
39.5 |
1.1 |
0.261 |
0 |
0 |
0 |
0.000 |
29 |
57 |
|
F |
1 |
1 |
31688 |
◊ |
D |
x,y,z |
1_555 |
1 |
1 |
31721 |
21.5 |
-0.1 |
0.268 |
0 |
0 |
0 |
0.000 |
30 |
58 |
|
[ACR]F:5044 |
3 |
1 |
753 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
28014 |
19.0 |
-0.4 |
0.635 |
0 |
0 |
0 |
0.000 |
59 |
|
[ACR]B:5044 |
3 |
1 |
754 |
◊ |
F |
x,y,z |
1_555 |
1 |
1 |
31688 |
18.4 |
-0.5 |
0.623 |
0 |
0 |
0 |
0.000 |
60 |
|
[ACR]D:5044 |
3 |
1 |
755 |
◊ |
G |
x,y,z |
1_555 |
1 |
1 |
31543 |
16.8 |
-0.4 |
0.638 |
0 |
0 |
0 |
0.000 |
61 |
|
[ACR]C:5044 |
3 |
1 |
752 |
◊ |
H |
x,y,z |
1_555 |
1 |
1 |
30960 |
16.0 |
-0.4 |
0.637 |
0 |
0 |
0 |
0.000 |
62 |
|
[ACR]G:5044 |
3 |
1 |
755 |
◊ |
D |
x,y,z |
1_555 |
1 |
1 |
31721 |
16.0 |
-0.4 |
0.643 |
0 |
0 |
0 |
0.000 |
63 |
|
[ACR]E:5044 |
3 |
1 |
751 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
31552 |
14.9 |
-0.4 |
0.644 |
0 |
0 |
0 |
0.000 |
64 |
|
[ACR]H:5044 |
3 |
1 |
751 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
31579 |
14.7 |
-0.4 |
0.639 |
0 |
0 |
0 |
0.000 |
65 |
|
[ACR]A:5044 |
3 |
1 |
758 |
◊ |
E |
x,y,z |
1_555 |
1 |
1 |
31899 |
12.9 |
0.0 |
0.762 |
0 |
0 |
0 |
0.000 |
Average: |
16.1 |
-0.4 |
0.653 |
0 |
0 |
0 |
0.000 |
31 |
66 |
|
F |
3 |
2 |
31688 |
◊ |
B |
-x+2,-y,z |
2_755 |
1 |
1 |
28014 |
15.1 |
-0.5 |
0.191 |
0 |
0 |
0 |
0.000 |
32 |
67 |
|
H |
1 |
1 |
30960 |
◊ |
H |
-x+2,-y,z |
2_755 |
1 |
1 |
30960 |
4.5 |
0.3 |
0.877 |
0 |
0 |
0 |
0.000 |
|