## |
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 |
115 |
31 |
21198 |
◊ |
A |
x,y,z |
1_555 |
112 |
31 |
21345 |
1112.9 |
-13.5 |
0.163 |
14 |
3 |
0 |
0.061 |
2 |
2 |
|
A |
114 |
40 |
21345 |
◊ |
A |
y+1/3,x-1/3,-z+2/3 |
16_545 |
112 |
40 |
21345 |
1018.6 |
2.5 |
0.915 |
18 |
16 |
0 |
0.000 |
3 |
3 |
|
[HEC]A:1001 |
43 |
1 |
849 |
cf |
A |
x,y,z |
1_555 |
81 |
32 |
21345 |
625.8 |
-26.3 |
0.102 |
5 |
0 |
0 |
0.167 |
4 |
|
[HEC]B:1001 |
43 |
1 |
852 |
cf |
B |
x,y,z |
1_555 |
83 |
32 |
21198 |
591.0 |
-24.5 |
0.131 |
5 |
0 |
0 |
0.167 |
Average: |
608.4 |
-25.4 |
0.117 |
5 |
0 |
0 |
0.167 |
4 |
5 |
|
[HEC]B:1002 |
43 |
1 |
850 |
cf |
B |
x,y,z |
1_555 |
86 |
37 |
21198 |
601.9 |
-25.5 |
0.127 |
7 |
0 |
0 |
0.173 |
6 |
|
[HEC]A:1002 |
43 |
1 |
853 |
cf |
A |
x,y,z |
1_555 |
83 |
35 |
21345 |
599.3 |
-25.6 |
0.100 |
6 |
0 |
0 |
0.173 |
Average: |
600.6 |
-25.5 |
0.114 |
7 |
0 |
0 |
0.173 |
5 |
7 |
|
[HEC]B:1003 |
43 |
1 |
849 |
cf |
B |
x,y,z |
1_555 |
68 |
27 |
21198 |
579.3 |
-21.2 |
0.303 |
4 |
0 |
0 |
0.139 |
6 |
8 |
|
[HEC]B:1004 |
43 |
1 |
846 |
cf |
B |
x,y,z |
1_555 |
73 |
35 |
21198 |
576.0 |
-24.0 |
0.139 |
3 |
0 |
0 |
0.153 |
9 |
|
[HEC]A:1004 |
43 |
1 |
836 |
cf |
A |
x,y,z |
1_555 |
76 |
35 |
21345 |
566.7 |
-23.4 |
0.166 |
3 |
0 |
0 |
0.153 |
Average: |
571.3 |
-23.7 |
0.152 |
3 |
0 |
0 |
0.153 |
7 |
10 |
|
[HEC]A:1003 |
43 |
1 |
841 |
cf |
A |
x,y,z |
1_555 |
65 |
29 |
21345 |
575.1 |
-20.3 |
0.355 |
4 |
0 |
0 |
0.067 |
8 |
11 |
|
B |
59 |
21 |
21198 |
◊ |
A |
x-y+1/3,-y+2/3,-z+2/3 |
17_555 |
56 |
17 |
21345 |
526.8 |
-2.4 |
0.543 |
5 |
2 |
0 |
0.000 |
9 |
12 |
|
B |
54 |
16 |
21198 |
◊ |
B |
x-y+1/3,-y+2/3,-z+2/3 |
17_555 |
54 |
16 |
21198 |
512.6 |
6.4 |
0.980 |
6 |
0 |
0 |
0.000 |
10 |
13 |
|
B |
36 |
14 |
21198 |
◊ |
B |
-x+2/3,-x+y+1/3,-z+1/3 |
12_555 |
35 |
14 |
21198 |
405.9 |
-6.5 |
0.082 |
0 |
0 |
0 |
0.020 |
11 |
14 |
|
A |
35 |
11 |
21345 |
x |
A |
-y,x-y,z |
2_555 |
33 |
11 |
21345 |
317.3 |
0.9 |
0.773 |
8 |
4 |
0 |
0.000 |
12 |
15 |
|
[PGO]B:1011 |
5 |
1 |
213 |
f |
B |
x,y,z |
1_555 |
23 |
11 |
21198 |
151.9 |
3.8 |
0.472 |
2 |
0 |
0 |
0.000 |
13 |
16 |
|
[PGE]A:1026 |
10 |
1 |
339 |
◊ |
A |
y+1/3,x-1/3,-z+2/3 |
16_545 |
23 |
10 |
21345 |
134.6 |
3.1 |
0.230 |
0 |
0 |
0 |
0.000 |
14 |
17 |
|
[EDO]A:1018 |
4 |
1 |
187 |
f |
A |
x,y,z |
1_555 |
22 |
11 |
21345 |
134.3 |
2.9 |
0.400 |
0 |
0 |
0 |
0.000 |
15 |
18 |
|
A |
14 |
6 |
21345 |
◊ |
B |
-x+1/3,-x+y-1/3,-z+2/3 |
18_545 |
17 |
5 |
21198 |
131.0 |
-1.9 |
0.231 |
0 |
0 |
0 |
0.000 |
16 |
19 |
|
[EDO]B:1012 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
19 |
7 |
21198 |
123.6 |
3.7 |
0.499 |
4 |
0 |
0 |
0.000 |
17 |
20 |
|
[EDO]A:1015 |
4 |
1 |
188 |
f |
A |
x,y,z |
1_555 |
22 |
13 |
21345 |
112.2 |
2.8 |
0.486 |
2 |
0 |
0 |
0.000 |
18 |
21 |
|
[THJ]B:1006 |
5 |
1 |
208 |
f |
B |
x,y,z |
1_555 |
18 |
10 |
21198 |
111.7 |
-1.2 |
0.620 |
7 |
0 |
0 |
0.026 |
19 |
22 |
|
[THJ]A:1008 |
5 |
1 |
209 |
f |
A |
x,y,z |
1_555 |
18 |
10 |
21345 |
107.3 |
-1.0 |
0.626 |
7 |
0 |
0 |
0.012 |
20 |
23 |
|
[PGO]B:1010 |
5 |
1 |
208 |
◊ |
B |
x,y,z |
1_555 |
14 |
7 |
21198 |
107.3 |
3.4 |
0.389 |
1 |
0 |
0 |
0.000 |
21 |
24 |
|
[EDO]A:1021 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
16 |
8 |
21345 |
103.9 |
3.0 |
0.483 |
3 |
0 |
0 |
0.000 |
22 |
25 |
|
[EDO]A:1025 |
4 |
1 |
189 |
◊ |
A |
x,y,z |
1_555 |
22 |
9 |
21345 |
103.1 |
2.3 |
0.447 |
1 |
0 |
0 |
0.000 |
23 |
26 |
|
[EDO]A:1019 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
14 |
6 |
21345 |
95.5 |
3.0 |
0.501 |
3 |
0 |
0 |
0.000 |
24 |
27 |
|
[EDO]A:1017 |
4 |
1 |
187 |
f |
A |
x,y,z |
1_555 |
17 |
7 |
21345 |
95.4 |
1.9 |
0.261 |
5 |
0 |
0 |
0.000 |
25 |
28 |
|
[EDO]A:1022 |
4 |
1 |
186 |
◊ |
A |
x,y,z |
1_555 |
14 |
5 |
21345 |
95.2 |
1.9 |
0.348 |
1 |
0 |
0 |
0.000 |
26 |
29 |
|
[EDO]A:1016 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
16 |
8 |
21345 |
88.0 |
2.3 |
0.293 |
1 |
0 |
0 |
0.000 |
27 |
30 |
|
[PGO]A:1007 |
5 |
1 |
209 |
f |
A |
x,y,z |
1_555 |
12 |
5 |
21345 |
84.5 |
2.6 |
0.161 |
2 |
0 |
0 |
0.000 |
28 |
31 |
|
[EDO]A:1023 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
12 |
5 |
21345 |
79.7 |
2.4 |
0.283 |
1 |
0 |
0 |
0.000 |
29 |
32 |
|
[CL]A:1005 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
15 |
6 |
21345 |
76.7 |
-11.2 |
0.000 |
0 |
0 |
0 |
0.068 |
33 |
|
[CL]B:1005 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
15 |
6 |
21198 |
73.2 |
-11.2 |
0.000 |
0 |
0 |
0 |
0.068 |
Average: |
74.9 |
-11.2 |
0.000 |
0 |
0 |
0 |
0.068 |
30 |
34 |
|
[PGE]A:1026 |
7 |
1 |
339 |
f |
[PGE]A:1026 |
y+1/3,x-1/3,-z+2/3 |
16_545 |
7 |
1 |
339 |
74.7 |
4.7 |
0.115 |
0 |
0 |
0 |
0.000 |
31 |
35 |
|
[CL]A:1010 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
17 |
6 |
21345 |
73.3 |
-9.6 |
0.000 |
0 |
0 |
0 |
0.057 |
36 |
|
[CL]B:1008 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
14 |
6 |
21198 |
71.8 |
-9.3 |
0.000 |
0 |
0 |
0 |
0.057 |
Average: |
72.6 |
-9.4 |
0.000 |
0 |
0 |
0 |
0.057 |
32 |
37 |
|
[PGO]A:1014 |
5 |
1 |
212 |
f |
[PGO]A:1014 |
y+1/3,x-1/3,-z+2/3 |
16_545 |
5 |
1 |
212 |
72.8 |
4.4 |
0.078 |
0 |
0 |
0 |
0.000 |
33 |
38 |
|
[CL]B:1009 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
11 |
6 |
21198 |
72.4 |
-9.4 |
0.000 |
0 |
0 |
0 |
0.057 |
34 |
39 |
|
[PGE]A:1026 |
7 |
1 |
339 |
◊ |
A |
x,y,z |
1_555 |
10 |
5 |
21345 |
71.8 |
0.7 |
0.116 |
1 |
0 |
0 |
0.000 |
35 |
40 |
|
[CL]A:1011 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
11 |
7 |
21345 |
69.8 |
-9.3 |
0.000 |
0 |
0 |
0 |
0.028 |
36 |
41 |
|
[PGO]A:1014 |
5 |
1 |
212 |
◊ |
A |
x,y,z |
1_555 |
10 |
6 |
21345 |
68.7 |
1.9 |
0.884 |
2 |
0 |
0 |
0.000 |
37 |
42 |
|
[EDO]A:1024 |
4 |
1 |
188 |
◊ |
A |
x,y,z |
1_555 |
7 |
4 |
21345 |
66.2 |
2.6 |
0.330 |
0 |
0 |
0 |
0.000 |
38 |
43 |
|
[CL]A:1012 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
12 |
5 |
21345 |
64.9 |
-8.1 |
0.000 |
0 |
0 |
0 |
0.025 |
39 |
44 |
|
[EDO]A:1024 |
3 |
1 |
188 |
f |
A |
y+1/3,x-1/3,-z+2/3 |
16_545 |
12 |
2 |
21345 |
64.6 |
2.0 |
0.300 |
0 |
0 |
0 |
0.000 |
40 |
45 |
|
[EDO]A:1020 |
4 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
10 |
6 |
21345 |
63.9 |
1.9 |
0.851 |
2 |
0 |
0 |
0.000 |
41 |
46 |
|
[CL]B:1007 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
8 |
5 |
21198 |
60.9 |
-6.2 |
0.000 |
0 |
0 |
0 |
0.038 |
42 |
47 |
|
[THJ]A:1008 |
4 |
1 |
209 |
f |
[HEC]A:1003 |
x,y,z |
1_555 |
19 |
1 |
841 |
60.1 |
-3.9 |
0.494 |
0 |
0 |
0 |
0.021 |
48 |
|
[THJ]B:1006 |
3 |
1 |
208 |
f |
[HEC]B:1003 |
x,y,z |
1_555 |
20 |
1 |
849 |
51.1 |
-3.1 |
0.522 |
0 |
0 |
0 |
0.021 |
Average: |
55.6 |
-3.5 |
0.508 |
0 |
0 |
0 |
0.021 |
43 |
49 |
|
A |
8 |
3 |
21345 |
f |
[PGO]B:1010 |
-x+1/3,-x+y-1/3,-z+2/3 |
18_545 |
3 |
1 |
208 |
55.2 |
0.8 |
0.244 |
0 |
0 |
0 |
0.000 |
44 |
50 |
|
[CL]A:1013 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
11 |
4 |
21345 |
54.9 |
-6.4 |
0.000 |
0 |
0 |
0 |
0.019 |
45 |
51 |
|
[CL]A:1009 |
1 |
1 |
125 |
f |
A |
y+1/3,x-1/3,-z+2/3 |
16_545 |
13 |
5 |
21345 |
54.8 |
-6.6 |
0.000 |
0 |
0 |
0 |
0.020 |
46 |
52 |
|
[EDO]A:1017 |
3 |
1 |
187 |
◊ |
B |
x,y,z |
1_555 |
9 |
5 |
21198 |
53.8 |
1.6 |
0.271 |
0 |
0 |
0 |
0.000 |
47 |
53 |
|
A |
9 |
3 |
21345 |
f |
[EDO]A:1023 |
-y,x-y,z |
2_555 |
3 |
1 |
185 |
47.8 |
0.9 |
0.711 |
1 |
0 |
0 |
0.000 |
48 |
54 |
|
[CL]A:1006 |
1 |
1 |
125 |
x |
A |
x,y,z |
1_555 |
11 |
6 |
21345 |
47.4 |
-6.3 |
0.000 |
0 |
0 |
0 |
0.000 |
49 |
55 |
|
[HEC]B:1001 |
3 |
1 |
852 |
◊ |
B |
-x+2/3,-x+y+1/3,-z+1/3 |
12_555 |
9 |
3 |
21198 |
46.1 |
-1.1 |
0.553 |
0 |
0 |
0 |
0.007 |
50 |
56 |
|
[PGO]A:1014 |
3 |
1 |
212 |
◊ |
A |
y+1/3,x-1/3,-z+2/3 |
16_545 |
7 |
4 |
21345 |
44.2 |
1.4 |
0.406 |
1 |
0 |
0 |
0.000 |
51 |
57 |
|
[EDO]A:1022 |
4 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
4 |
2 |
21198 |
42.4 |
1.0 |
0.565 |
0 |
0 |
0 |
0.000 |
52 |
58 |
|
[CL]A:1009 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
4 |
2 |
21345 |
40.5 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.000 |
53 |
59 |
|
[HEC]B:1004 |
5 |
1 |
846 |
f |
[HEC]B:1003 |
x,y,z |
1_555 |
3 |
1 |
849 |
37.3 |
-1.7 |
0.719 |
0 |
0 |
0 |
0.010 |
54 |
60 |
|
[HEC]A:1002 |
3 |
1 |
853 |
f |
[HEC]A:1001 |
x,y,z |
1_555 |
3 |
1 |
849 |
36.1 |
-3.2 |
0.358 |
0 |
0 |
0 |
0.020 |
61 |
|
[HEC]B:1002 |
3 |
1 |
850 |
f |
[HEC]B:1001 |
x,y,z |
1_555 |
3 |
1 |
852 |
35.6 |
-3.3 |
0.339 |
0 |
0 |
0 |
0.020 |
Average: |
35.9 |
-3.3 |
0.348 |
0 |
0 |
0 |
0.020 |
55 |
62 |
|
[HEC]A:1004 |
5 |
1 |
836 |
f |
[HEC]A:1003 |
x,y,z |
1_555 |
3 |
1 |
841 |
35.4 |
-1.5 |
0.749 |
0 |
0 |
0 |
0.005 |
56 |
63 |
|
[CL]B:1007 |
1 |
1 |
125 |
◊ |
B |
-x+2/3,-x+y+1/3,-z+1/3 |
12_555 |
4 |
2 |
21198 |
33.8 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.024 |
57 |
64 |
|
[EDO]A:1021 |
3 |
1 |
185 |
f |
[CL]A:1010 |
x,y,z |
1_555 |
1 |
1 |
125 |
33.0 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.008 |
58 |
65 |
|
[HEC]B:1004 |
2 |
1 |
846 |
f |
[HEC]B:1002 |
x,y,z |
1_555 |
2 |
1 |
850 |
30.5 |
-1.0 |
0.561 |
0 |
0 |
0 |
0.006 |
66 |
|
[HEC]A:1004 |
1 |
1 |
836 |
f |
[HEC]A:1002 |
x,y,z |
1_555 |
2 |
1 |
853 |
30.1 |
-1.0 |
0.387 |
0 |
0 |
0 |
0.006 |
Average: |
30.3 |
-1.0 |
0.474 |
0 |
0 |
0 |
0.006 |
59 |
67 |
|
[CL]B:1009 |
1 |
1 |
125 |
f |
[CL]B:1008 |
x,y,z |
1_555 |
1 |
1 |
125 |
24.1 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.029 |
60 |
68 |
|
[EDO]B:1012 |
2 |
1 |
185 |
f |
A |
x-y+1/3,-y+2/3,-z+2/3 |
17_555 |
3 |
1 |
21345 |
19.6 |
0.6 |
0.803 |
0 |
0 |
0 |
0.000 |
61 |
69 |
|
[EDO]A:1025 |
1 |
1 |
189 |
f |
A |
-y,x-y,z |
2_555 |
5 |
1 |
21345 |
17.9 |
0.2 |
0.778 |
0 |
0 |
0 |
0.000 |
62 |
70 |
|
[PGE]A:1026 |
2 |
1 |
339 |
fx |
[CL]A:1006 |
x,y,z |
1_555 |
1 |
1 |
125 |
15.0 |
-1.4 |
0.000 |
0 |
0 |
0 |
0.000 |
63 |
71 |
|
B |
2 |
2 |
21198 |
◊ |
A |
-y,x-y,z |
2_555 |
2 |
1 |
21345 |
14.3 |
0.1 |
0.720 |
0 |
0 |
0 |
0.000 |
64 |
72 |
|
[CL]B:1005 |
1 |
1 |
125 |
f |
[HEC]B:1004 |
x,y,z |
1_555 |
1 |
1 |
846 |
11.0 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.010 |
73 |
|
[CL]A:1005 |
1 |
1 |
125 |
f |
[HEC]A:1004 |
x,y,z |
1_555 |
1 |
1 |
836 |
9.4 |
-1.5 |
0.000 |
0 |
0 |
0 |
0.010 |
Average: |
10.2 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.010 |
65 |
74 |
|
[CL]B:1007 |
1 |
1 |
125 |
f |
[HEC]B:1001 |
x,y,z |
1_555 |
2 |
1 |
852 |
9.6 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.007 |
66 |
75 |
|
B |
1 |
1 |
21198 |
◊ |
B |
y-1/3,x+1/3,-z+1/3 |
10_455 |
1 |
1 |
21198 |
8.6 |
-0.3 |
0.243 |
0 |
0 |
0 |
0.000 |
67 |
76 |
|
[EDO]A:1025 |
1 |
1 |
189 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
21198 |
7.6 |
0.2 |
0.908 |
0 |
0 |
0 |
0.000 |
68 |
77 |
|
[PGO]A:1007 |
2 |
1 |
209 |
f |
[HEC]A:1002 |
x,y,z |
1_555 |
1 |
1 |
853 |
6.1 |
-0.2 |
0.647 |
0 |
0 |
0 |
0.000 |
69 |
78 |
|
[HEC]B:1001 |
1 |
1 |
852 |
◊ |
[HEC]B:1001 |
-x+2/3,-x+y+1/3,-z+1/3 |
12_555 |
1 |
1 |
852 |
4.0 |
-0.1 |
0.814 |
0 |
0 |
0 |
0.000 |
70 |
79 |
|
[PGO]A:1014 |
1 |
1 |
212 |
fx |
[CL]A:1006 |
x,y,z |
1_555 |
1 |
1 |
125 |
2.6 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.000 |
|