| ## |
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 |
|
A |
207 |
39 |
94842 |
◊ |
A |
x,-y,-z |
3_555 |
207 |
39 |
94842 |
1477.5 |
-33.2 |
0.991 |
10 |
0 |
0 |
0.060 |
| 2 |
2 |
|
B |
131 |
14 |
3760 |
◊ |
A |
x,y,z |
1_555 |
146 |
31 |
94842 |
1134.3 |
-24.0 |
0.906 |
18 |
0 |
0 |
0.098 |
| 3 |
3 |
|
A |
125 |
29 |
94842 |
◊ |
A |
-x,y,-z+1/2 |
4_555 |
124 |
29 |
94842 |
900.9 |
-23.2 |
0.945 |
8 |
0 |
0 |
0.043 |
| 4 |
4 |
|
A |
53 |
19 |
94842 |
◊ |
A |
-x,y,-z-1/2 |
4_554 |
53 |
19 |
94842 |
341.7 |
-14.3 |
0.711 |
0 |
0 |
0 |
0.023 |
| 5 |
5 |
|
[SPM]A:702 |
14 |
1 |
453 |
f |
A |
x,y,z |
1_555 |
41 |
9 |
94842 |
265.4 |
-5.7 |
0.227 |
2 |
0 |
0 |
0.021 |
| 6 |
6 |
|
[IRI]A:710 |
6 |
1 |
296 |
f |
A |
x,y,z |
1_555 |
30 |
10 |
94842 |
200.2 |
-2.8 |
0.443 |
11 |
0 |
0 |
0.025 |
| 7 |
7 |
|
[SPM]A:701 |
12 |
1 |
418 |
f |
A |
x,y,z |
1_555 |
26 |
6 |
94842 |
198.5 |
-3.0 |
0.239 |
4 |
0 |
0 |
0.016 |
| 8 |
8 |
|
[IRI]A:709 |
6 |
1 |
294 |
f |
A |
x,y,z |
1_555 |
34 |
11 |
94842 |
192.1 |
-2.8 |
0.538 |
5 |
0 |
0 |
0.016 |
| 9 |
9 |
|
[IRI]A:704 |
6 |
1 |
294 |
f |
A |
x,y,z |
1_555 |
26 |
8 |
94842 |
189.2 |
-1.9 |
0.449 |
12 |
0 |
0 |
0.024 |
| 10 |
10 |
|
[IRI]A:706 |
6 |
1 |
293 |
f |
A |
x,y,z |
1_555 |
29 |
9 |
94842 |
188.8 |
-0.6 |
0.587 |
7 |
0 |
0 |
0.012 |
| 11 |
11 |
|
A |
26 |
7 |
94842 |
x |
A |
-x+1/2,-y+1/2,z-1/2 |
6_554 |
30 |
8 |
94842 |
185.2 |
-4.6 |
0.778 |
1 |
0 |
0 |
0.000 |
| 12 |
12 |
|
[IRI]A:717 |
6 |
1 |
293 |
f |
A |
x,y,z |
1_555 |
28 |
7 |
94842 |
184.9 |
-2.1 |
0.454 |
5 |
0 |
0 |
0.014 |
| 13 |
13 |
|
[IRI]A:720 |
6 |
1 |
272 |
f |
A |
x,y,z |
1_555 |
27 |
10 |
94842 |
183.1 |
-3.5 |
0.446 |
9 |
0 |
0 |
0.024 |
| 14 |
14 |
|
[IRI]A:733 |
6 |
1 |
294 |
f |
A |
x,y,z |
1_555 |
29 |
10 |
94842 |
175.8 |
-3.5 |
0.343 |
5 |
0 |
0 |
0.018 |
| 15 |
15 |
|
[IRI]A:729 |
6 |
1 |
295 |
f |
A |
x,y,z |
1_555 |
32 |
9 |
94842 |
173.2 |
-3.0 |
0.273 |
5 |
0 |
0 |
0.017 |
| 16 |
16 |
|
[IRI]A:718 |
6 |
1 |
293 |
f |
A |
x,y,z |
1_555 |
22 |
9 |
94842 |
170.8 |
-3.2 |
0.356 |
5 |
0 |
0 |
0.017 |
| 17 |
17 |
|
[IRI]A:732 |
6 |
1 |
295 |
f |
A |
x,y,z |
1_555 |
27 |
9 |
94842 |
155.6 |
-2.9 |
0.416 |
6 |
0 |
0 |
0.018 |
| 18 |
18 |
|
A |
23 |
3 |
94842 |
x |
A |
-x,-y,z-1/2 |
2_554 |
22 |
3 |
94842 |
155.1 |
-1.8 |
0.770 |
0 |
0 |
0 |
0.000 |
| 19 |
19 |
|
[IRI]A:735 |
6 |
1 |
293 |
f |
A |
x,y,z |
1_555 |
24 |
9 |
94842 |
153.7 |
-1.5 |
0.280 |
5 |
0 |
0 |
0.012 |
| 20 |
20 |
|
[IRI]A:711 |
6 |
1 |
295 |
f |
A |
x,y,z |
1_555 |
26 |
11 |
94842 |
150.5 |
-2.3 |
0.270 |
8 |
0 |
0 |
0.019 |
| 21 |
21 |
|
[IRI]A:715 |
6 |
1 |
296 |
f |
A |
x,y,z |
1_555 |
21 |
10 |
94842 |
150.3 |
0.3 |
0.304 |
3 |
0 |
0 |
0.003 |
| 22 |
22 |
|
[IRI]A:736 |
6 |
1 |
294 |
f |
A |
x,y,z |
1_555 |
25 |
8 |
94842 |
148.1 |
-2.1 |
0.270 |
8 |
0 |
0 |
0.018 |
| 23 |
23 |
|
[IRI]A:705 |
6 |
1 |
295 |
f |
A |
x,y,z |
1_555 |
25 |
6 |
94842 |
147.0 |
-3.3 |
0.239 |
5 |
0 |
0 |
0.018 |
| 24 |
24 |
|
[IRI]A:739 |
6 |
1 |
294 |
f |
A |
x,y,z |
1_555 |
26 |
9 |
94842 |
143.9 |
-4.6 |
0.188 |
4 |
0 |
0 |
0.020 |
| 25 |
25 |
|
[IRI]A:712 |
6 |
1 |
293 |
f |
A |
x,y,z |
1_555 |
21 |
8 |
94842 |
142.1 |
-1.3 |
0.379 |
3 |
0 |
0 |
0.008 |
| 26 |
26 |
|
[IRI]A:714 |
6 |
1 |
274 |
f |
A |
x,y,z |
1_555 |
20 |
9 |
94842 |
139.7 |
-0.7 |
0.529 |
8 |
0 |
0 |
0.014 |
| 27 |
27 |
|
[IRI]A:716 |
6 |
1 |
273 |
f |
A |
x,y,z |
1_555 |
23 |
8 |
94842 |
138.7 |
-2.1 |
0.355 |
5 |
0 |
0 |
0.014 |
| 28 |
28 |
|
[IRI]A:734 |
6 |
1 |
295 |
f |
A |
x,y,z |
1_555 |
21 |
9 |
94842 |
136.6 |
-0.4 |
0.483 |
4 |
0 |
0 |
0.007 |
| 29 |
29 |
|
[IRI]A:707 |
6 |
1 |
295 |
f |
A |
x,y,z |
1_555 |
22 |
7 |
94842 |
134.1 |
-1.3 |
0.273 |
5 |
0 |
0 |
0.012 |
| 30 |
30 |
|
[IRI]A:728 |
6 |
1 |
274 |
f |
A |
x,y,z |
1_555 |
18 |
8 |
94842 |
132.1 |
-1.0 |
0.268 |
5 |
0 |
0 |
0.011 |
| 31 |
31 |
|
[IRI]A:723 |
6 |
1 |
294 |
f |
A |
x,y,z |
1_555 |
23 |
9 |
94842 |
130.8 |
-2.6 |
0.250 |
6 |
0 |
0 |
0.017 |
| 32 |
32 |
|
A |
20 |
6 |
94842 |
f |
[IRI]A:730 |
-x+1/2,-y+1/2,z-1/2 |
6_554 |
6 |
1 |
296 |
129.5 |
-2.7 |
0.361 |
2 |
0 |
0 |
0.012 |
| 33 |
33 |
|
[IRI]A:727 |
6 |
1 |
295 |
f |
A |
x,y,z |
1_555 |
19 |
7 |
94842 |
123.3 |
-2.2 |
0.207 |
3 |
0 |
0 |
0.012 |
| 34 |
34 |
|
[IRI]A:708 |
6 |
1 |
294 |
f |
A |
x,y,z |
1_555 |
14 |
5 |
94842 |
122.2 |
-4.3 |
0.120 |
4 |
0 |
0 |
0.020 |
| 35 |
35 |
|
[IRI]A:737 |
6 |
1 |
295 |
f |
A |
x,y,z |
1_555 |
25 |
8 |
94842 |
120.7 |
-0.8 |
0.252 |
3 |
0 |
0 |
0.007 |
| 36 |
36 |
|
[IRI]A:725 |
5 |
1 |
294 |
f |
A |
-x,y,-z-1/2 |
4_554 |
19 |
5 |
94842 |
120.2 |
-1.8 |
0.427 |
6 |
0 |
0 |
0.014 |
| 37 |
37 |
|
A |
16 |
7 |
94842 |
cf |
[IRI]A:740 |
-x+1/2,-y+1/2,z-1/2 |
6_554 |
6 |
1 |
295 |
120.0 |
-2.2 |
0.288 |
5 |
0 |
0 |
0.014 |
| 38 |
38 |
|
[IRI]A:738 |
5 |
1 |
293 |
f |
A |
x,y,z |
1_555 |
15 |
6 |
94842 |
114.1 |
-2.6 |
0.265 |
7 |
0 |
0 |
0.019 |
| 39 |
39 |
|
[IRI]A:719 |
6 |
1 |
271 |
f |
A |
x,y,z |
1_555 |
17 |
6 |
94842 |
114.1 |
-1.5 |
0.348 |
1 |
0 |
0 |
0.006 |
| 40 |
40 |
|
[IRI]A:722 |
6 |
1 |
294 |
f |
A |
x,y,z |
1_555 |
16 |
6 |
94842 |
111.5 |
-2.2 |
0.286 |
5 |
0 |
0 |
0.014 |
| 41 |
41 |
|
[IRI]A:703 |
5 |
1 |
270 |
f |
A |
x,y,z |
1_555 |
18 |
9 |
94842 |
110.8 |
-1.3 |
0.302 |
4 |
0 |
0 |
0.010 |
| 42 |
42 |
|
[IRI]A:721 |
6 |
1 |
294 |
f |
A |
x,y,z |
1_555 |
17 |
6 |
94842 |
109.1 |
-0.5 |
0.447 |
3 |
0 |
0 |
0.006 |
| 43 |
43 |
|
[IRI]A:724 |
6 |
1 |
294 |
◊ |
A |
-x,y,-z-1/2 |
4_554 |
15 |
4 |
94842 |
106.0 |
-1.8 |
0.300 |
6 |
0 |
0 |
0.015 |
| 44 |
44 |
|
[IRI]A:726 |
5 |
1 |
294 |
f |
A |
x,y,z |
1_555 |
19 |
2 |
94842 |
86.4 |
1.4 |
0.643 |
1 |
0 |
0 |
0.000 |
| 45 |
45 |
|
[IRI]A:731 |
5 |
1 |
293 |
◊ |
A |
x,y,z |
1_555 |
9 |
3 |
94842 |
78.5 |
-2.0 |
0.229 |
2 |
0 |
0 |
0.009 |
| 46 |
46 |
|
[NA]A:824 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
18 |
8 |
94842 |
76.4 |
-11.1 |
0.000 |
0 |
0 |
0 |
0.036 |
| 47 |
47 |
|
[NA]A:836 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
15 |
5 |
94842 |
74.0 |
-11.5 |
0.000 |
0 |
0 |
0 |
0.037 |
| 48 |
48 |
|
[NA]A:822 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
15 |
6 |
94842 |
72.6 |
-11.6 |
0.000 |
0 |
0 |
0 |
0.038 |
| 49 |
49 |
|
[NA]A:825 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
11 |
4 |
94842 |
69.1 |
-10.8 |
0.000 |
0 |
0 |
0 |
0.035 |
| 50 |
50 |
|
[NA]A:831 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
10 |
4 |
94842 |
67.8 |
-9.6 |
0.000 |
0 |
0 |
0 |
0.031 |
| 51 |
51 |
|
[NA]A:832 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
11 |
3 |
94842 |
65.6 |
-10.3 |
0.000 |
0 |
0 |
0 |
0.033 |
| 52 |
52 |
|
[IRI]A:713 |
4 |
1 |
293 |
f |
A |
x,y,z |
1_555 |
10 |
3 |
94842 |
64.8 |
-2.4 |
0.142 |
5 |
0 |
0 |
0.015 |
| 53 |
53 |
|
[IRI]A:731 |
3 |
1 |
293 |
cf |
A |
-x,y,-z+1/2 |
4_555 |
12 |
2 |
94842 |
62.8 |
-0.8 |
0.294 |
2 |
0 |
0 |
0.005 |
| 54 |
54 |
|
[NA]A:827 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
3 |
2 |
94842 |
62.5 |
-12.4 |
0.000 |
0 |
0 |
0 |
0.040 |
| 55 |
55 |
|
[IRI]A:724 |
5 |
1 |
294 |
f |
A |
x,y,z |
1_555 |
7 |
3 |
94842 |
60.9 |
-2.5 |
0.085 |
2 |
0 |
0 |
0.011 |
| 56 |
56 |
|
[NA]A:830 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
10 |
3 |
94842 |
59.8 |
-7.3 |
0.000 |
0 |
0 |
0 |
0.028 |
57 |
|
[NA]A:833 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
1 |
1 |
94842 |
17.0 |
-1.4 |
0.000 |
0 |
0 |
0 |
0.028 |
| Average: |
38.4 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.028 |
| 57 |
58 |
|
[NA]A:828 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
10 |
4 |
94842 |
56.6 |
-7.7 |
0.000 |
0 |
0 |
0 |
0.025 |
| 58 |
59 |
|
[IRI]A:713 |
4 |
1 |
293 |
f |
[IRI]A:705 |
x,y,z |
1_555 |
3 |
1 |
295 |
55.6 |
1.2 |
0.153 |
0 |
0 |
0 |
0.000 |
| 59 |
60 |
|
[NA]A:826 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
11 |
3 |
94842 |
55.6 |
-7.0 |
0.000 |
0 |
0 |
0 |
0.023 |
| 60 |
61 |
|
[IRI]A:725 |
3 |
1 |
294 |
◊ |
A |
x,y,z |
1_555 |
8 |
2 |
94842 |
51.6 |
-0.7 |
0.276 |
2 |
0 |
0 |
0.005 |
| 61 |
62 |
|
[NA]A:834 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
9 |
3 |
94842 |
48.8 |
-6.0 |
0.000 |
0 |
0 |
0 |
0.019 |
| 62 |
63 |
|
[IRI]A:740 |
3 |
1 |
295 |
◊ |
A |
x,y,z |
1_555 |
6 |
2 |
94842 |
46.1 |
-2.1 |
0.512 |
2 |
0 |
0 |
0.000 |
| 63 |
64 |
|
[IRI]A:737 |
3 |
1 |
295 |
f |
[IRI]A:736 |
x,y,z |
1_555 |
4 |
1 |
294 |
45.8 |
0.9 |
0.153 |
0 |
0 |
0 |
0.000 |
| 64 |
65 |
|
[IRI]A:725 |
4 |
1 |
294 |
◊ |
[IRI]A:724 |
x,y,z |
1_555 |
3 |
1 |
294 |
45.0 |
0.7 |
0.153 |
0 |
0 |
0 |
0.000 |
| 65 |
66 |
|
[NA]A:835 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
7 |
6 |
94842 |
43.2 |
-5.5 |
0.000 |
0 |
0 |
0 |
0.018 |
| 66 |
67 |
|
[NA]A:823 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
5 |
4 |
94842 |
33.3 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.012 |
| 67 |
68 |
|
[NA]A:829 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
7 |
4 |
94842 |
30.1 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.011 |
| 68 |
69 |
|
[NA]A:837 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
4 |
2 |
94842 |
26.1 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.012 |
| 69 |
70 |
|
[IRI]A:715 |
2 |
1 |
296 |
f |
[IRI]A:706 |
x,y,z |
1_555 |
3 |
1 |
293 |
24.3 |
0.1 |
0.354 |
0 |
0 |
0 |
0.000 |
| 70 |
71 |
|
[IRI]A:738 |
2 |
1 |
293 |
◊ |
A |
-x,y,-z-1/2 |
4_554 |
3 |
2 |
94842 |
23.4 |
-0.1 |
0.341 |
0 |
0 |
0 |
0.000 |
| 71 |
72 |
|
[IRI]A:708 |
1 |
1 |
294 |
◊ |
A |
-x,y,-z+1/2 |
4_555 |
5 |
2 |
94842 |
21.7 |
-0.2 |
0.537 |
0 |
0 |
0 |
0.000 |
| 72 |
73 |
|
[IRI]A:707 |
1 |
1 |
295 |
◊ |
A |
x,-y,-z |
3_555 |
5 |
2 |
94842 |
18.8 |
-0.9 |
0.696 |
0 |
0 |
0 |
0.003 |
| 73 |
74 |
|
[IRI]A:722 |
2 |
1 |
294 |
f |
[IRI]A:721 |
x,y,z |
1_555 |
3 |
1 |
294 |
17.8 |
0.1 |
0.354 |
0 |
0 |
0 |
0.000 |
| 74 |
75 |
|
[IRI]A:730 |
2 |
1 |
296 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
94842 |
15.3 |
-0.5 |
0.586 |
0 |
0 |
0 |
0.000 |
| 75 |
76 |
|
[NA]A:837 |
1 |
1 |
125 |
◊ |
A |
-x,y,-z+1/2 |
4_555 |
3 |
2 |
94842 |
14.6 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.007 |
| 76 |
77 |
|
[IRI]A:712 |
3 |
1 |
293 |
f |
[IRI]A:711 |
x,y,z |
1_555 |
2 |
1 |
295 |
14.2 |
0.1 |
0.500 |
0 |
0 |
0 |
0.000 |
| 77 |
78 |
|
[SPM]A:701 |
3 |
1 |
418 |
◊ |
A |
-x+1/2,-y+1/2,z-1/2 |
6_554 |
3 |
1 |
94842 |
12.6 |
-0.2 |
0.330 |
0 |
0 |
0 |
0.000 |
| 78 |
79 |
|
[IRI]A:734 |
1 |
1 |
295 |
f |
[IRI]A:718 |
x,y,z |
1_555 |
2 |
1 |
293 |
11.4 |
0.1 |
0.500 |
0 |
0 |
0 |
0.000 |
| 79 |
80 |
|
[NA]A:833 |
1 |
1 |
125 |
f |
[NA]A:830 |
x,y,z |
1_555 |
1 |
1 |
125 |
10.9 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.007 |
| 80 |
81 |
|
[IRI]A:738 |
1 |
1 |
293 |
f |
[IRI]A:728 |
x,y,z |
1_555 |
2 |
1 |
274 |
8.3 |
0.2 |
0.354 |
0 |
0 |
0 |
0.000 |
| 81 |
82 |
|
[NA]A:824 |
1 |
1 |
125 |
◊ |
[IRI]A:724 |
-x,y,-z-1/2 |
4_554 |
1 |
1 |
294 |
7.4 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.002 |
| 82 |
83 |
|
[NA]A:835 |
1 |
1 |
125 |
f |
[IRI]A:716 |
x,y,z |
1_555 |
2 |
1 |
273 |
4.9 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.001 |
| 83 |
84 |
|
[IRI]A:727 |
1 |
1 |
295 |
◊ |
A |
-x+1/2,-y+1/2,z-1/2 |
6_554 |
1 |
1 |
94842 |
4.7 |
-0.3 |
0.477 |
0 |
0 |
0 |
0.000 |
|