| ## |
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 |
58 |
10 |
1628 |
◊ |
B |
x,y,z |
1_555 |
75 |
22 |
4329 |
647.4 |
-3.8 |
0.563 |
11 |
1 |
0 |
0.000 |
| 2 |
2 |
|
C |
73 |
16 |
4350 |
◊ |
A |
x,y,z |
1_555 |
73 |
16 |
4333 |
592.9 |
-4.3 |
0.554 |
9 |
0 |
0 |
0.116 |
| 3 |
3 |
|
C |
47 |
12 |
4350 |
◊ |
B |
x,y,z |
1_555 |
54 |
11 |
4329 |
462.9 |
-6.8 |
0.164 |
4 |
0 |
0 |
0.000 |
4 |
|
A |
52 |
11 |
4333 |
◊ |
B |
-y,x-y,z |
2_555 |
46 |
13 |
4329 |
457.5 |
-5.9 |
0.224 |
3 |
0 |
0 |
0.000 |
5 |
|
A |
47 |
13 |
4333 |
◊ |
C |
-y+2/3,x-y+1/3,z+1/3 |
5_555 |
53 |
11 |
4350 |
431.7 |
-6.0 |
0.231 |
6 |
0 |
0 |
0.000 |
| Average: |
450.7 |
-6.2 |
0.206 |
4 |
0 |
0 |
0.000 |
| 4 |
6 |
|
B |
11 |
4 |
4329 |
◊ |
C |
-y+2/3,x-y+1/3,z+1/3 |
5_555 |
18 |
8 |
4350 |
116.8 |
1.0 |
0.716 |
2 |
0 |
0 |
0.000 |
| 5 |
7 |
|
C |
13 |
4 |
4350 |
x |
C |
-y+2/3,x-y+1/3,z+1/3 |
5_555 |
10 |
4 |
4350 |
79.5 |
-0.9 |
0.482 |
0 |
0 |
0 |
0.000 |
8 |
|
B |
9 |
3 |
4329 |
x |
A |
x,y,z |
1_555 |
10 |
3 |
4333 |
75.3 |
-0.8 |
0.457 |
0 |
0 |
0 |
0.000 |
| Average: |
77.4 |
-0.9 |
0.470 |
0 |
0 |
0 |
0.000 |
| 6 |
9 |
|
[EDO]B:1009 |
4 |
1 |
183 |
◊ |
B |
x,y,z |
1_555 |
11 |
4 |
4329 |
75.9 |
2.1 |
0.272 |
2 |
0 |
0 |
0.000 |
| 7 |
10 |
|
[UNX]B:1007 |
1 |
1 |
129 |
f |
B |
x,y,z |
1_555 |
15 |
6 |
4329 |
69.3 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.083 |
11 |
|
[UNX]A:1007 |
1 |
1 |
129 |
f |
A |
x,y,z |
1_555 |
13 |
6 |
4333 |
60.3 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.083 |
| Average: |
64.8 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.083 |
| 8 |
12 |
|
[UNX]B:1006 |
1 |
1 |
129 |
f |
B |
x,y,z |
1_555 |
8 |
4 |
4329 |
67.4 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.074 |
| 9 |
13 |
|
[SO4]A:1002 |
5 |
1 |
187 |
◊ |
A |
x,y,z |
1_555 |
11 |
4 |
4333 |
67.2 |
-9.5 |
0.779 |
1 |
0 |
0 |
0.000 |
| 10 |
14 |
|
[SO4]A:1002 |
5 |
1 |
187 |
f |
C |
-y+2/3,x-y+1/3,z+1/3 |
5_555 |
11 |
3 |
4350 |
64.6 |
-9.8 |
0.703 |
3 |
0 |
0 |
0.171 |
| 11 |
15 |
|
A |
12 |
3 |
4333 |
f |
[EDO]B:1009 |
-y,x-y,z |
2_555 |
4 |
1 |
183 |
64.0 |
1.2 |
0.732 |
2 |
0 |
0 |
0.000 |
| 12 |
16 |
|
[UNX]A:1008 |
1 |
1 |
129 |
f |
A |
x,y,z |
1_555 |
11 |
7 |
4333 |
63.1 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.056 |
| 13 |
17 |
|
[UNX]A:1010 |
1 |
1 |
129 |
f |
A |
x,y,z |
1_555 |
10 |
4 |
4333 |
61.6 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.054 |
| 14 |
18 |
|
[UNX]C:1002 |
1 |
1 |
129 |
f |
C |
x,y,z |
1_555 |
8 |
4 |
4350 |
61.4 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.163 |
19 |
|
[UNX]A:1011 |
1 |
1 |
129 |
f |
A |
x,y,z |
1_555 |
9 |
4 |
4333 |
54.8 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.163 |
20 |
|
[UNX]A:1012 |
1 |
1 |
129 |
f |
A |
x,y,z |
1_555 |
9 |
4 |
4333 |
51.8 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.163 |
| Average: |
56.0 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.163 |
| 15 |
21 |
|
A |
10 |
4 |
4333 |
◊ |
D |
-y,x-y,z |
2_555 |
7 |
2 |
1628 |
59.9 |
0.5 |
0.698 |
2 |
0 |
0 |
0.000 |
| 16 |
22 |
|
[UNX]C:1005 |
1 |
1 |
129 |
f |
C |
x,y,z |
1_555 |
6 |
3 |
4350 |
58.4 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.044 |
| 17 |
23 |
|
[UNX]A:1013 |
1 |
1 |
129 |
f |
A |
x,y,z |
1_555 |
8 |
4 |
4333 |
56.0 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.059 |
| 18 |
24 |
|
[UNX]C:1003 |
1 |
1 |
129 |
f |
C |
x,y,z |
1_555 |
9 |
4 |
4350 |
54.4 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.055 |
| 19 |
25 |
|
[UNX]B:1004 |
1 |
1 |
129 |
f |
B |
x,y,z |
1_555 |
8 |
4 |
4329 |
54.3 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.052 |
| 20 |
26 |
|
[UNX]B:1005 |
1 |
1 |
129 |
f |
B |
x,y,z |
1_555 |
9 |
3 |
4329 |
54.3 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.063 |
| 21 |
27 |
|
[UNX]B:1002 |
1 |
1 |
129 |
f |
B |
x,y,z |
1_555 |
7 |
3 |
4329 |
53.3 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.097 |
28 |
|
[UNX]A:1003 |
1 |
1 |
129 |
f |
C |
-y+2/3,x-y+1/3,z+1/3 |
5_555 |
6 |
3 |
4350 |
38.9 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.097 |
| Average: |
46.1 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.097 |
| 22 |
29 |
|
[UNX]A:1009 |
1 |
1 |
129 |
f |
A |
x,y,z |
1_555 |
8 |
4 |
4333 |
52.9 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.049 |
| 23 |
30 |
|
[UNX]D:101 |
1 |
1 |
129 |
f |
D |
x,y,z |
1_555 |
10 |
3 |
1628 |
51.2 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.050 |
| 24 |
31 |
|
[UNX]C:1004 |
1 |
1 |
129 |
◊ |
C |
x,y,z |
1_555 |
6 |
3 |
4350 |
48.6 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.000 |
| 25 |
32 |
|
[UNX]B:1008 |
1 |
1 |
129 |
f |
B |
x,y,z |
1_555 |
10 |
4 |
4329 |
46.0 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.047 |
| 26 |
33 |
|
[UNX]B:1003 |
1 |
1 |
129 |
◊ |
B |
x,y,z |
1_555 |
5 |
2 |
4329 |
45.1 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.000 |
34 |
|
[UNX]B:1008 |
1 |
1 |
129 |
◊ |
A |
x,y,z |
1_555 |
5 |
2 |
4333 |
35.8 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.000 |
| Average: |
40.5 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.000 |
| 27 |
35 |
|
[UNX]B:1005 |
1 |
1 |
129 |
◊ |
C |
x,y,z |
1_555 |
9 |
4 |
4350 |
43.6 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.000 |
| 28 |
36 |
|
[UNX]A:1005 |
1 |
1 |
129 |
◊ |
A |
x,y,z |
1_555 |
3 |
2 |
4333 |
41.8 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.054 |
37 |
|
[UNX]A:1005 |
1 |
1 |
129 |
◊ |
C |
x,y,z |
1_555 |
3 |
2 |
4350 |
34.2 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.054 |
| Average: |
38.0 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.054 |
| 29 |
38 |
|
[UNX]D:102 |
1 |
1 |
129 |
f |
D |
x,y,z |
1_555 |
6 |
3 |
1628 |
36.9 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.037 |
| 30 |
39 |
|
[UNX]D:102 |
1 |
1 |
129 |
◊ |
B |
x,y,z |
1_555 |
8 |
3 |
4329 |
36.7 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.000 |
| 31 |
40 |
|
[UNX]A:1004 |
1 |
1 |
129 |
◊ |
A |
x,y,z |
1_555 |
6 |
3 |
4333 |
35.5 |
-1.4 |
0.000 |
0 |
0 |
0 |
0.000 |
| 32 |
41 |
|
[UNX]A:1005 |
1 |
1 |
129 |
◊ |
C |
-y+2/3,x-y+1/3,z+1/3 |
5_555 |
7 |
3 |
4350 |
34.8 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.040 |
42 |
|
[UNX]A:1005 |
1 |
1 |
129 |
◊ |
B |
x,y,z |
1_555 |
4 |
2 |
4329 |
12.9 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.040 |
| Average: |
23.8 |
-1.3 |
0.000 |
0 |
0 |
0 |
0.040 |
| 33 |
43 |
|
A |
6 |
4 |
4333 |
f |
[UNX]C:1004 |
-y+2/3,x-y+1/3,z+1/3 |
5_555 |
1 |
1 |
129 |
34.7 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.024 |
| 34 |
44 |
|
[UNX]A:1006 |
1 |
1 |
129 |
f |
B |
x,y,z |
1_555 |
6 |
2 |
4329 |
33.5 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.053 |
45 |
|
[UNX]A:1004 |
1 |
1 |
129 |
f |
B |
x,y,z |
1_555 |
4 |
2 |
4329 |
32.1 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.053 |
| Average: |
32.8 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.053 |
| 35 |
46 |
|
[UNX]A:1012 |
1 |
1 |
129 |
f |
[UNX]A:1011 |
x,y,z |
1_555 |
1 |
1 |
129 |
32.4 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.045 |
| 36 |
47 |
|
[UNX]A:1013 |
1 |
1 |
129 |
f |
[UNX]A:1012 |
x,y,z |
1_555 |
1 |
1 |
129 |
31.6 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.044 |
| 37 |
48 |
|
[UNX]A:1003 |
1 |
1 |
129 |
◊ |
B |
x,y,z |
1_555 |
3 |
2 |
4329 |
30.5 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.038 |
49 |
|
[UNX]B:1002 |
1 |
1 |
129 |
◊ |
C |
-y+2/3,x-y+1/3,z+1/3 |
5_555 |
5 |
2 |
4350 |
27.0 |
-1.4 |
0.000 |
0 |
0 |
0 |
0.038 |
| Average: |
28.8 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.038 |
| 38 |
50 |
|
[UNX]A:1006 |
1 |
1 |
129 |
f |
[UNX]A:1004 |
x,y,z |
1_555 |
1 |
1 |
129 |
28.7 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.044 |
| 39 |
51 |
|
[UNX]A:1006 |
1 |
1 |
129 |
◊ |
A |
x,y,z |
1_555 |
4 |
1 |
4333 |
28.0 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.000 |
| 40 |
52 |
|
[UNX]B:1002 |
1 |
1 |
129 |
◊ |
C |
x,y,z |
1_555 |
6 |
1 |
4350 |
28.0 |
-1.5 |
0.000 |
0 |
0 |
0 |
0.000 |
53 |
|
[UNX]A:1003 |
1 |
1 |
129 |
◊ |
A |
x,y,z |
1_555 |
6 |
1 |
4333 |
21.4 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.000 |
| Average: |
24.7 |
-1.3 |
0.000 |
0 |
0 |
0 |
0.000 |
| 41 |
54 |
|
[UNX]A:1007 |
1 |
1 |
129 |
◊ |
C |
x,y,z |
1_555 |
3 |
1 |
4350 |
26.9 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.024 |
| 42 |
55 |
|
[UNX]B:1003 |
1 |
1 |
129 |
f |
D |
x,y,z |
1_555 |
1 |
1 |
1628 |
23.5 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.013 |
| 43 |
56 |
|
[UNX]A:1006 |
1 |
1 |
129 |
◊ |
[UNX]A:1003 |
x,y,z |
1_555 |
1 |
1 |
129 |
23.3 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.036 |
| 44 |
57 |
|
[UNX]A:1006 |
1 |
1 |
129 |
◊ |
C |
-y+2/3,x-y+1/3,z+1/3 |
5_555 |
3 |
1 |
4350 |
19.1 |
-1.3 |
0.000 |
0 |
0 |
0 |
0.019 |
| 45 |
58 |
|
[SO4]A:1002 |
4 |
1 |
187 |
◊ |
[UNX]C:1004 |
-y+2/3,x-y+1/3,z+1/3 |
5_555 |
1 |
1 |
129 |
14.4 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.000 |
| 46 |
59 |
|
[UNX]C:1004 |
1 |
1 |
129 |
◊ |
[UNX]C:1003 |
x,y,z |
1_555 |
1 |
1 |
129 |
14.4 |
-1.4 |
0.000 |
0 |
0 |
0 |
0.000 |
| 47 |
60 |
|
[UNX]A:1004 |
1 |
1 |
129 |
◊ |
[UNX]A:1003 |
x,y,z |
1_555 |
1 |
1 |
129 |
14.0 |
-1.4 |
0.000 |
0 |
0 |
0 |
0.022 |
| 48 |
61 |
|
[UNX]A:1013 |
1 |
1 |
129 |
f |
[UNX]A:1011 |
x,y,z |
1_555 |
1 |
1 |
129 |
12.9 |
-1.3 |
0.000 |
0 |
0 |
0 |
0.018 |
| 49 |
62 |
|
A |
2 |
1 |
4333 |
◊ |
[UNX]C:1003 |
-y+2/3,x-y+1/3,z+1/3 |
5_555 |
1 |
1 |
129 |
10.3 |
-0.7 |
0.000 |
0 |
0 |
0 |
0.000 |
| 50 |
63 |
|
[UNX]A:1009 |
1 |
1 |
129 |
◊ |
B |
-y,x-y,z |
2_555 |
3 |
1 |
4329 |
9.9 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.000 |
| 51 |
64 |
|
[UNX]A:1012 |
1 |
1 |
129 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
4350 |
6.1 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.007 |
65 |
|
[UNX]C:1002 |
1 |
1 |
129 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
4333 |
2.5 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.007 |
| Average: |
4.3 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.007 |
| 52 |
66 |
|
[UNX]A:1013 |
1 |
1 |
129 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
4350 |
5.3 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.005 |
| 53 |
67 |
|
[UNX]A:1007 |
1 |
1 |
129 |
◊ |
C |
-y+2/3,x-y+1/3,z+1/3 |
5_555 |
1 |
1 |
4350 |
4.4 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.000 |
| 54 |
68 |
|
[UNX]B:1007 |
1 |
1 |
129 |
◊ |
D |
x,y,z |
1_555 |
1 |
1 |
1628 |
1.1 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.000 |
|