## |
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 |
|
B |
126 |
37 |
17052 |
◊ |
B |
-x+1,y,-z+2 |
2_657 |
125 |
37 |
17052 |
1103.0 |
1.3 |
0.731 |
20 |
0 |
0 |
0.000 |
2 |
|
C |
117 |
36 |
17355 |
◊ |
A |
x,y,z |
1_555 |
126 |
36 |
16859 |
1102.1 |
2.5 |
0.792 |
14 |
3 |
0 |
0.000 |
Average: |
1102.6 |
1.9 |
0.762 |
17 |
2 |
0 |
0.000 |
2 |
3 |
|
A |
73 |
23 |
16859 |
x |
A |
-x+1/2,y-1/2,-z+1 |
4_546 |
70 |
20 |
16859 |
688.4 |
1.6 |
0.757 |
8 |
3 |
0 |
0.000 |
3 |
4 |
|
C |
70 |
20 |
17355 |
◊ |
B |
x,y,z |
1_555 |
64 |
21 |
17052 |
601.0 |
3.3 |
0.776 |
5 |
1 |
0 |
0.000 |
4 |
5 |
|
B |
62 |
19 |
17052 |
◊ |
C |
x,y-1,z |
1_545 |
62 |
20 |
17355 |
562.9 |
3.4 |
0.785 |
5 |
1 |
0 |
0.000 |
5 |
6 |
|
C |
63 |
18 |
17355 |
x |
C |
x,y-1,z |
1_545 |
54 |
19 |
17355 |
514.4 |
1.0 |
0.689 |
9 |
1 |
0 |
0.000 |
7 |
|
B |
56 |
17 |
17052 |
x |
B |
x,y-1,z |
1_545 |
51 |
18 |
17052 |
500.1 |
1.5 |
0.724 |
8 |
2 |
0 |
0.000 |
8 |
|
A |
53 |
18 |
16859 |
x |
A |
x,y-1,z |
1_545 |
50 |
17 |
16859 |
405.8 |
0.9 |
0.703 |
7 |
2 |
0 |
0.000 |
Average: |
473.5 |
1.1 |
0.705 |
8 |
2 |
0 |
0.000 |
6 |
9 |
|
C |
15 |
6 |
17355 |
◊ |
B |
x,y,z-1 |
1_554 |
17 |
8 |
17052 |
157.5 |
0.6 |
0.677 |
4 |
4 |
0 |
0.000 |
7 |
10 |
|
B |
15 |
5 |
17052 |
◊ |
A |
-x+1/2,y-1/2,-z+2 |
4_547 |
14 |
5 |
16859 |
135.0 |
2.6 |
0.878 |
6 |
8 |
0 |
0.000 |
8 |
11 |
|
B |
9 |
4 |
17052 |
◊ |
C |
x,y-1,z+1 |
1_546 |
13 |
6 |
17355 |
113.4 |
-0.1 |
0.441 |
1 |
2 |
0 |
0.000 |
9 |
12 |
|
[EOH]C:4 |
3 |
1 |
171 |
f |
C |
x,y,z |
1_555 |
17 |
9 |
17355 |
103.2 |
3.1 |
0.259 |
1 |
0 |
0 |
0.000 |
10 |
13 |
|
[EOH]A:7 |
3 |
1 |
173 |
f |
A |
x,y,z |
1_555 |
21 |
10 |
16859 |
96.8 |
3.2 |
0.294 |
0 |
0 |
0 |
0.000 |
11 |
14 |
|
C |
11 |
4 |
17355 |
x |
A |
x,y-1,z |
1_545 |
11 |
5 |
16859 |
96.8 |
2.0 |
0.764 |
1 |
0 |
0 |
0.000 |
15 |
|
B |
6 |
3 |
17052 |
x |
B |
-x+1,y-1,-z+2 |
2_647 |
3 |
1 |
17052 |
46.1 |
1.0 |
0.674 |
1 |
0 |
0 |
0.000 |
Average: |
71.4 |
1.5 |
0.719 |
1 |
0 |
0 |
0.000 |
12 |
16 |
|
[EOH]C:1234 |
3 |
1 |
171 |
f |
C |
x,y,z |
1_555 |
19 |
9 |
17355 |
95.7 |
2.8 |
0.149 |
0 |
0 |
0 |
0.000 |
13 |
17 |
|
[EOH]A:2 |
3 |
1 |
173 |
◊ |
A |
x,y,z |
1_555 |
23 |
9 |
16859 |
93.6 |
1.9 |
0.130 |
0 |
0 |
0 |
0.000 |
14 |
18 |
|
[EOH]C:5 |
3 |
1 |
172 |
◊ |
C |
x,y,z |
1_555 |
22 |
9 |
17355 |
89.1 |
2.1 |
0.130 |
0 |
0 |
0 |
0.000 |
15 |
19 |
|
[NA]B:15 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
19 |
11 |
17052 |
86.6 |
-12.2 |
0.000 |
0 |
0 |
0 |
0.006 |
16 |
20 |
|
[EOH]B:1234 |
3 |
1 |
172 |
◊ |
B |
x,y,z |
1_555 |
22 |
9 |
17052 |
82.5 |
1.8 |
0.134 |
0 |
0 |
0 |
0.000 |
17 |
21 |
|
[EOH]B:1235 |
3 |
1 |
171 |
f |
B |
x,y,z |
1_555 |
12 |
6 |
17052 |
76.9 |
2.3 |
0.109 |
0 |
0 |
0 |
0.000 |
18 |
22 |
|
[NA]B:14 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
11 |
5 |
17052 |
71.9 |
-10.4 |
0.000 |
0 |
0 |
0 |
0.005 |
19 |
23 |
|
[NA]B:10 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
14 |
7 |
17052 |
70.6 |
-10.9 |
0.000 |
0 |
0 |
0 |
0.220 |
24 |
|
[NA]C:8 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
12 |
6 |
17355 |
67.1 |
-10.5 |
0.000 |
0 |
0 |
0 |
0.220 |
Average: |
68.9 |
-10.7 |
0.000 |
0 |
0 |
0 |
0.220 |
20 |
25 |
|
[NA]B:4 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
9 |
4 |
17052 |
68.4 |
-10.7 |
0.000 |
0 |
0 |
0 |
0.005 |
21 |
26 |
|
[NA]B:6 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
10 |
4 |
17052 |
66.8 |
-10.5 |
0.000 |
0 |
0 |
0 |
0.005 |
22 |
27 |
|
[NA]B:16 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
13 |
7 |
17052 |
66.6 |
-9.7 |
0.000 |
0 |
0 |
0 |
0.005 |
23 |
28 |
|
[NA]B:19 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
10 |
5 |
17052 |
66.2 |
-12.2 |
0.000 |
0 |
0 |
0 |
0.006 |
24 |
29 |
|
[NA]B:18 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
15 |
8 |
17052 |
65.4 |
-7.3 |
0.000 |
0 |
0 |
0 |
0.004 |
25 |
30 |
|
[NA]B:1 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
2 |
2 |
17052 |
62.4 |
-12.5 |
0.000 |
0 |
0 |
0 |
0.006 |
26 |
31 |
|
[NA]B:13 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
20 |
8 |
17052 |
58.8 |
-7.8 |
0.000 |
0 |
0 |
0 |
0.008 |
32 |
|
[NA]B:9 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
13 |
8 |
17052 |
46.1 |
-7.6 |
0.000 |
0 |
0 |
0 |
0.008 |
Average: |
52.5 |
-7.7 |
0.000 |
0 |
0 |
0 |
0.008 |
27 |
33 |
|
[NA]B:5 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
13 |
6 |
17052 |
57.7 |
-8.7 |
0.000 |
0 |
0 |
0 |
0.004 |
28 |
34 |
|
[NA]B:17 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
9 |
6 |
17052 |
56.0 |
-8.1 |
0.000 |
0 |
0 |
0 |
0.004 |
29 |
35 |
|
[CL]B:12 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
11 |
5 |
17052 |
53.6 |
-7.8 |
0.000 |
0 |
0 |
0 |
0.004 |
30 |
36 |
|
[NA]B:2 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
12 |
6 |
17052 |
50.9 |
-8.8 |
0.000 |
0 |
0 |
0 |
0.004 |
31 |
37 |
|
[NA]B:3 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
6 |
3 |
17052 |
49.7 |
-9.6 |
0.000 |
0 |
0 |
0 |
0.005 |
32 |
38 |
|
[NA]B:11 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
15 |
9 |
17052 |
46.5 |
-7.4 |
0.000 |
0 |
0 |
0 |
0.004 |
33 |
39 |
|
A |
4 |
2 |
16859 |
x |
A |
-x+1/2,y-1/2,-z+2 |
4_547 |
5 |
2 |
16859 |
35.3 |
0.7 |
0.776 |
1 |
0 |
0 |
0.000 |
34 |
40 |
|
[CL]B:12 |
1 |
1 |
125 |
f |
[EOH]B:1235 |
x,y,z |
1_555 |
3 |
1 |
171 |
32.7 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.001 |
35 |
41 |
|
[EOH]B:1235 |
3 |
1 |
171 |
f |
[NA]B:17 |
x,y,z |
1_555 |
1 |
1 |
125 |
29.1 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.001 |
36 |
42 |
|
[NA]B:5 |
1 |
1 |
125 |
f |
[NA]B:16 |
x,y,z |
1_555 |
1 |
1 |
125 |
27.0 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.003 |
37 |
43 |
|
[NA]B:2 |
1 |
1 |
125 |
f |
[NA]B:11 |
x,y,z |
1_555 |
1 |
1 |
125 |
22.8 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.002 |
38 |
44 |
|
[NA]B:9 |
1 |
1 |
125 |
f |
[NA]B:13 |
x,y,z |
1_555 |
1 |
1 |
125 |
21.0 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.002 |
39 |
45 |
|
[NA]B:9 |
1 |
1 |
125 |
f |
[NA]B:11 |
x,y,z |
1_555 |
1 |
1 |
125 |
20.6 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.002 |
40 |
46 |
|
[NA]B:5 |
1 |
1 |
125 |
f |
[NA]B:10 |
x,y,z |
1_555 |
1 |
1 |
125 |
16.1 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.002 |
41 |
47 |
|
[CL]B:12 |
1 |
1 |
125 |
f |
[NA]B:17 |
x,y,z |
1_555 |
1 |
1 |
125 |
15.9 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.002 |
42 |
48 |
|
C |
3 |
1 |
17355 |
f |
[EOH]C:5 |
x,y-1,z |
1_545 |
2 |
1 |
172 |
15.4 |
0.3 |
0.636 |
0 |
0 |
0 |
0.000 |
43 |
49 |
|
[NA]B:13 |
1 |
1 |
125 |
f |
[NA]B:11 |
x,y,z |
1_555 |
1 |
1 |
125 |
15.3 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.002 |
44 |
50 |
|
A |
3 |
3 |
16859 |
◊ |
C |
x,y-1,z |
1_545 |
2 |
2 |
17355 |
14.6 |
0.4 |
0.741 |
0 |
0 |
0 |
0.000 |
45 |
51 |
|
B |
3 |
1 |
17052 |
f |
[EOH]B:1234 |
x,y-1,z |
1_545 |
1 |
1 |
172 |
13.6 |
0.5 |
0.817 |
0 |
0 |
0 |
0.000 |
46 |
52 |
|
[NA]B:3 |
1 |
1 |
125 |
f |
[NA]B:13 |
x,y,z |
1_555 |
1 |
1 |
125 |
11.1 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.001 |
47 |
53 |
|
[NA]B:9 |
1 |
1 |
125 |
f |
[NA]B:2 |
x,y,z |
1_555 |
1 |
1 |
125 |
9.4 |
-1.9 |
0.000 |
0 |
0 |
0 |
0.000 |
48 |
54 |
|
A |
2 |
1 |
16859 |
f |
[EOH]A:2 |
x,y-1,z |
1_545 |
2 |
1 |
173 |
8.4 |
0.3 |
0.829 |
0 |
0 |
0 |
0.000 |
49 |
55 |
|
[NA]B:18 |
1 |
1 |
125 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
17355 |
7.2 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.000 |
50 |
56 |
|
[NA]B:5 |
1 |
1 |
125 |
f |
[NA]B:3 |
x,y,z |
1_555 |
1 |
1 |
125 |
7.0 |
-1.4 |
0.000 |
0 |
0 |
0 |
0.000 |
51 |
57 |
|
[NA]B:16 |
1 |
1 |
125 |
◊ |
B |
-x+1,y,-z+2 |
2_657 |
2 |
1 |
17052 |
4.2 |
0.3 |
0.000 |
0 |
0 |
0 |
0.000 |
52 |
58 |
|
[NA]B:9 |
1 |
1 |
125 |
f |
[NA]B:3 |
x,y,z |
1_555 |
1 |
1 |
125 |
4.2 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.000 |
53 |
59 |
|
[NA]B:3 |
1 |
1 |
125 |
f |
[NA]B:10 |
x,y,z |
1_555 |
1 |
1 |
125 |
4.0 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.000 |
54 |
60 |
|
C |
1 |
1 |
17355 |
◊ |
C |
-x+1,y,-z+1 |
2_656 |
1 |
1 |
17355 |
1.9 |
-0.1 |
0.444 |
0 |
0 |
0 |
0.000 |
55 |
61 |
|
[NA]B:3 |
1 |
1 |
125 |
f |
[NA]B:16 |
x,y,z |
1_555 |
1 |
1 |
125 |
0.3 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.000 |
|