## |
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 |
221 |
59 |
15426 |
◊ |
A |
x,y,z |
1_555 |
237 |
61 |
15365 |
2133.3 |
-23.4 |
0.257 |
27 |
5 |
0 |
0.752 |
2 |
|
C |
224 |
59 |
15373 |
◊ |
B |
x,y,z |
1_555 |
248 |
61 |
15426 |
2132.0 |
-23.4 |
0.251 |
28 |
4 |
0 |
0.752 |
3 |
|
E |
220 |
59 |
15204 |
◊ |
D |
x,y,z |
1_555 |
241 |
61 |
15400 |
2129.2 |
-24.3 |
0.199 |
28 |
4 |
0 |
0.752 |
4 |
|
C |
250 |
62 |
15373 |
◊ |
A |
x,y,z |
1_555 |
225 |
58 |
15365 |
2126.6 |
-24.0 |
0.249 |
29 |
4 |
0 |
0.752 |
5 |
|
F |
218 |
58 |
15268 |
◊ |
E |
x,y,z |
1_555 |
246 |
62 |
15204 |
2114.1 |
-23.9 |
0.223 |
28 |
4 |
0 |
0.752 |
6 |
|
F |
242 |
62 |
15268 |
◊ |
D |
x,y,z |
1_555 |
217 |
58 |
15400 |
2102.4 |
-25.2 |
0.180 |
27 |
4 |
0 |
0.752 |
Average: |
2122.9 |
-24.0 |
0.226 |
28 |
4 |
0 |
0.752 |
2 |
7 |
|
D |
83 |
22 |
15400 |
◊ |
A |
x,y,z |
1_555 |
82 |
22 |
15365 |
783.8 |
-11.1 |
0.186 |
10 |
4 |
0 |
0.436 |
8 |
|
F |
83 |
22 |
15268 |
◊ |
B |
x,y,z |
1_555 |
84 |
22 |
15426 |
783.6 |
-11.7 |
0.166 |
10 |
4 |
0 |
0.436 |
9 |
|
E |
82 |
22 |
15204 |
◊ |
C |
x,y,z |
1_555 |
83 |
22 |
15373 |
779.3 |
-11.7 |
0.152 |
10 |
4 |
0 |
0.436 |
Average: |
782.3 |
-11.5 |
0.168 |
10 |
4 |
0 |
0.436 |
3 |
10 |
|
[COA]E:401 |
42 |
1 |
894 |
f |
E |
x,y,z |
1_555 |
58 |
19 |
15204 |
483.8 |
2.7 |
0.706 |
8 |
0 |
0 |
0.056 |
11 |
|
[COA]B:401 |
42 |
1 |
899 |
f |
B |
x,y,z |
1_555 |
52 |
19 |
15426 |
478.8 |
3.4 |
0.742 |
10 |
0 |
0 |
0.056 |
12 |
|
[COA]D:401 |
42 |
1 |
891 |
f |
D |
x,y,z |
1_555 |
55 |
19 |
15400 |
476.6 |
3.3 |
0.723 |
10 |
0 |
0 |
0.056 |
13 |
|
[COA]A:401 |
41 |
1 |
892 |
f |
A |
x,y,z |
1_555 |
56 |
19 |
15365 |
474.6 |
2.2 |
0.642 |
7 |
0 |
0 |
0.056 |
14 |
|
[COA]C:401 |
42 |
1 |
890 |
f |
C |
x,y,z |
1_555 |
53 |
19 |
15373 |
469.5 |
2.9 |
0.680 |
7 |
0 |
0 |
0.056 |
15 |
|
[COA]F:401 |
41 |
1 |
890 |
f |
F |
x,y,z |
1_555 |
55 |
19 |
15268 |
465.9 |
1.1 |
0.491 |
5 |
0 |
0 |
0.056 |
Average: |
474.9 |
2.6 |
0.664 |
8 |
0 |
0 |
0.056 |
4 |
16 |
|
D |
45 |
9 |
15400 |
◊ |
C |
x,y,z |
1_555 |
42 |
9 |
15373 |
377.9 |
-1.1 |
0.681 |
3 |
0 |
0 |
0.027 |
17 |
|
E |
41 |
8 |
15204 |
◊ |
B |
x,y,z |
1_555 |
40 |
8 |
15426 |
372.2 |
-1.7 |
0.622 |
5 |
0 |
0 |
0.027 |
18 |
|
F |
40 |
7 |
15268 |
◊ |
A |
x,y,z |
1_555 |
38 |
7 |
15365 |
341.7 |
-2.1 |
0.603 |
3 |
0 |
0 |
0.027 |
Average: |
363.9 |
-1.6 |
0.635 |
4 |
0 |
0 |
0.027 |
5 |
19 |
|
C |
42 |
10 |
15373 |
◊ |
E |
-y-1,x-y-1,z+1/3 |
3_445 |
37 |
11 |
15204 |
320.1 |
-3.1 |
0.487 |
1 |
0 |
0 |
0.000 |
6 |
20 |
|
F |
32 |
9 |
15268 |
◊ |
D |
x-y,x,z+1/6 |
2_555 |
25 |
9 |
15400 |
263.4 |
0.7 |
0.815 |
3 |
4 |
0 |
0.000 |
21 |
|
B |
23 |
7 |
15426 |
◊ |
A |
x-y,x,z+1/6 |
2_555 |
29 |
8 |
15365 |
244.5 |
0.1 |
0.752 |
2 |
4 |
0 |
0.000 |
Average: |
253.9 |
0.4 |
0.784 |
3 |
4 |
0 |
0.000 |
7 |
22 |
|
[COA]E:401 |
11 |
1 |
894 |
◊ |
D |
x,y,z |
1_555 |
14 |
6 |
15400 |
139.2 |
0.5 |
0.380 |
1 |
0 |
0 |
0.005 |
23 |
|
[COA]C:401 |
12 |
1 |
890 |
◊ |
B |
x,y,z |
1_555 |
13 |
5 |
15426 |
138.4 |
0.3 |
0.344 |
1 |
0 |
0 |
0.005 |
24 |
|
[COA]B:401 |
11 |
1 |
899 |
◊ |
A |
x,y,z |
1_555 |
13 |
5 |
15365 |
137.5 |
0.4 |
0.367 |
1 |
0 |
0 |
0.005 |
25 |
|
[COA]D:401 |
13 |
1 |
891 |
◊ |
F |
x,y,z |
1_555 |
13 |
5 |
15268 |
137.5 |
0.3 |
0.339 |
1 |
0 |
0 |
0.005 |
26 |
|
[COA]F:401 |
11 |
1 |
890 |
◊ |
E |
x,y,z |
1_555 |
13 |
5 |
15204 |
136.5 |
-0.0 |
0.342 |
1 |
0 |
0 |
0.005 |
27 |
|
[COA]A:401 |
12 |
1 |
892 |
◊ |
C |
x,y,z |
1_555 |
14 |
5 |
15373 |
135.5 |
0.0 |
0.337 |
1 |
0 |
0 |
0.005 |
Average: |
137.4 |
0.2 |
0.352 |
1 |
0 |
0 |
0.005 |
8 |
28 |
|
D |
16 |
7 |
15400 |
◊ |
C |
x,y,z-1 |
1_554 |
13 |
3 |
15373 |
134.3 |
0.7 |
0.780 |
1 |
0 |
0 |
0.000 |
29 |
|
E |
12 |
4 |
15204 |
◊ |
B |
x,y,z-1 |
1_554 |
11 |
4 |
15426 |
74.3 |
-0.2 |
0.639 |
0 |
0 |
0 |
0.000 |
Average: |
104.3 |
0.3 |
0.710 |
1 |
0 |
0 |
0.000 |
9 |
30 |
|
[OXL]B:402 |
6 |
1 |
200 |
f |
B |
x,y,z |
1_555 |
15 |
9 |
15426 |
89.0 |
0.7 |
0.399 |
3 |
0 |
0 |
0.018 |
31 |
|
[OXL]C:402 |
6 |
1 |
200 |
f |
C |
x,y,z |
1_555 |
17 |
10 |
15373 |
87.6 |
0.6 |
0.403 |
3 |
0 |
0 |
0.018 |
Average: |
88.3 |
0.7 |
0.401 |
3 |
0 |
0 |
0.018 |
10 |
32 |
|
[OXL]A:402 |
6 |
1 |
201 |
f |
A |
x,y,z |
1_555 |
17 |
10 |
15365 |
89.0 |
1.1 |
0.614 |
3 |
0 |
0 |
0.007 |
11 |
33 |
|
[OXL]F:402 |
6 |
1 |
200 |
f |
F |
x,y,z |
1_555 |
17 |
9 |
15268 |
88.9 |
0.7 |
0.422 |
3 |
0 |
0 |
0.017 |
34 |
|
[OXL]D:402 |
6 |
1 |
200 |
f |
D |
x,y,z |
1_555 |
18 |
10 |
15400 |
88.7 |
0.7 |
0.427 |
3 |
0 |
0 |
0.017 |
Average: |
88.8 |
0.7 |
0.424 |
3 |
0 |
0 |
0.017 |
12 |
35 |
|
[OXL]E:402 |
6 |
1 |
200 |
f |
E |
x,y,z |
1_555 |
14 |
8 |
15204 |
87.7 |
0.7 |
0.413 |
3 |
0 |
0 |
0.016 |
13 |
36 |
|
E |
6 |
2 |
15204 |
◊ |
B |
-x,-y-1,z-1/2 |
4_544 |
7 |
2 |
15426 |
40.2 |
0.1 |
0.694 |
0 |
0 |
0 |
0.000 |
14 |
37 |
|
D |
4 |
1 |
15400 |
◊ |
B |
x,y,z-1 |
1_554 |
4 |
1 |
15426 |
38.6 |
-0.8 |
0.321 |
0 |
0 |
0 |
0.000 |
15 |
38 |
|
[MG]C:403 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
10 |
8 |
15373 |
37.1 |
-5.5 |
0.000 |
0 |
0 |
0 |
0.285 |
39 |
|
[MG]D:403 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
11 |
9 |
15400 |
37.0 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.285 |
40 |
|
[MG]A:403 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
9 |
7 |
15365 |
36.4 |
-5.5 |
0.000 |
0 |
0 |
0 |
0.285 |
41 |
|
[MG]B:403 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
10 |
8 |
15426 |
36.3 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.285 |
42 |
|
[MG]F:403 |
1 |
1 |
98 |
f |
F |
x,y,z |
1_555 |
10 |
7 |
15268 |
36.2 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.285 |
43 |
|
[MG]E:403 |
1 |
1 |
98 |
f |
E |
x,y,z |
1_555 |
10 |
7 |
15204 |
35.7 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.285 |
Average: |
36.5 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.285 |
16 |
44 |
|
[MG]D:403 |
1 |
1 |
98 |
f |
[OXL]D:402 |
x,y,z |
1_555 |
4 |
1 |
200 |
27.3 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.088 |
45 |
|
[MG]E:403 |
1 |
1 |
98 |
f |
[OXL]E:402 |
x,y,z |
1_555 |
4 |
1 |
200 |
26.9 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.088 |
46 |
|
[MG]F:403 |
1 |
1 |
98 |
f |
[OXL]F:402 |
x,y,z |
1_555 |
4 |
1 |
200 |
26.8 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.088 |
Average: |
27.0 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.088 |
17 |
47 |
|
[MG]B:403 |
1 |
1 |
98 |
f |
[OXL]B:402 |
x,y,z |
1_555 |
4 |
1 |
200 |
27.0 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.078 |
48 |
|
[MG]C:403 |
1 |
1 |
98 |
f |
[OXL]C:402 |
x,y,z |
1_555 |
4 |
1 |
200 |
26.7 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.078 |
49 |
|
[MG]A:403 |
1 |
1 |
98 |
f |
[OXL]A:402 |
x,y,z |
1_555 |
4 |
1 |
201 |
26.7 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.078 |
Average: |
26.8 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.078 |
18 |
50 |
|
[OXL]A:402 |
3 |
1 |
201 |
f |
[COA]A:401 |
x,y,z |
1_555 |
2 |
1 |
892 |
25.4 |
-1.3 |
0.128 |
1 |
0 |
0 |
0.043 |
19 |
51 |
|
[OXL]C:402 |
4 |
1 |
200 |
◊ |
B |
x,y,z |
1_555 |
4 |
3 |
15426 |
25.3 |
0.3 |
0.440 |
0 |
0 |
0 |
0.000 |
52 |
|
[OXL]B:402 |
4 |
1 |
200 |
◊ |
A |
x,y,z |
1_555 |
2 |
2 |
15365 |
22.7 |
0.3 |
0.271 |
0 |
0 |
0 |
0.000 |
Average: |
24.0 |
0.3 |
0.355 |
0 |
0 |
0 |
0.000 |
20 |
53 |
|
[OXL]F:402 |
3 |
1 |
200 |
f |
[COA]F:401 |
x,y,z |
1_555 |
2 |
1 |
890 |
25.2 |
-0.7 |
0.278 |
1 |
0 |
0 |
0.029 |
54 |
|
[OXL]D:402 |
3 |
1 |
200 |
f |
[COA]D:401 |
x,y,z |
1_555 |
2 |
1 |
891 |
24.1 |
-0.7 |
0.274 |
1 |
0 |
0 |
0.029 |
Average: |
24.7 |
-0.7 |
0.276 |
1 |
0 |
0 |
0.029 |
21 |
55 |
|
[OXL]C:402 |
3 |
1 |
200 |
f |
[COA]C:401 |
x,y,z |
1_555 |
2 |
1 |
890 |
25.2 |
-0.6 |
0.292 |
1 |
0 |
0 |
0.026 |
56 |
|
[OXL]B:402 |
2 |
1 |
200 |
f |
[COA]B:401 |
x,y,z |
1_555 |
2 |
1 |
899 |
24.3 |
-0.6 |
0.247 |
1 |
0 |
0 |
0.026 |
Average: |
24.7 |
-0.6 |
0.269 |
1 |
0 |
0 |
0.026 |
22 |
57 |
|
[OXL]E:402 |
2 |
1 |
200 |
f |
[COA]E:401 |
x,y,z |
1_555 |
2 |
1 |
894 |
25.0 |
-0.6 |
0.242 |
1 |
0 |
0 |
0.027 |
23 |
58 |
|
[OXL]F:402 |
4 |
1 |
200 |
◊ |
E |
x,y,z |
1_555 |
5 |
3 |
15204 |
24.8 |
0.3 |
0.440 |
0 |
0 |
0 |
0.000 |
59 |
|
[OXL]D:402 |
4 |
1 |
200 |
◊ |
F |
x,y,z |
1_555 |
2 |
2 |
15268 |
23.2 |
0.3 |
0.274 |
0 |
0 |
0 |
0.000 |
Average: |
24.0 |
0.3 |
0.357 |
0 |
0 |
0 |
0.000 |
24 |
60 |
|
[OXL]A:402 |
4 |
1 |
201 |
◊ |
C |
x,y,z |
1_555 |
4 |
3 |
15373 |
24.7 |
-0.0 |
0.249 |
0 |
0 |
0 |
0.000 |
25 |
61 |
|
[OXL]E:402 |
4 |
1 |
200 |
◊ |
D |
x,y,z |
1_555 |
2 |
2 |
15400 |
23.7 |
-0.1 |
0.210 |
0 |
0 |
0 |
0.000 |
26 |
62 |
|
C |
4 |
1 |
15373 |
x |
C |
-y-1,x-y-1,z+1/3 |
3_445 |
1 |
1 |
15373 |
10.8 |
0.4 |
0.769 |
0 |
0 |
0 |
0.000 |
27 |
63 |
|
F |
3 |
3 |
15268 |
◊ |
A |
x-y,x,z+1/6 |
2_555 |
3 |
3 |
15365 |
9.6 |
0.5 |
0.820 |
0 |
0 |
0 |
0.000 |
28 |
64 |
|
[MG]F:403 |
1 |
1 |
98 |
◊ |
E |
x,y,z |
1_555 |
1 |
1 |
15204 |
9.6 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.022 |
65 |
|
[MG]B:403 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
15365 |
9.4 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.022 |
66 |
|
[MG]E:403 |
1 |
1 |
98 |
◊ |
D |
x,y,z |
1_555 |
1 |
1 |
15400 |
9.3 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.022 |
67 |
|
[MG]D:403 |
1 |
1 |
98 |
◊ |
F |
x,y,z |
1_555 |
1 |
1 |
15268 |
9.0 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.022 |
68 |
|
[MG]A:403 |
1 |
1 |
98 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
15373 |
9.0 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.022 |
69 |
|
[MG]C:403 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
15426 |
8.9 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.022 |
Average: |
9.2 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.022 |
29 |
70 |
|
B |
1 |
1 |
15426 |
◊ |
C |
x-y,x,z+1/6 |
2_555 |
1 |
1 |
15373 |
1.5 |
-0.0 |
0.600 |
0 |
0 |
0 |
0.000 |
71 |
|
E |
1 |
1 |
15204 |
◊ |
D |
x-y,x,z+1/6 |
2_555 |
1 |
1 |
15400 |
0.5 |
-0.0 |
0.633 |
0 |
0 |
0 |
0.000 |
Average: |
1.0 |
-0.0 |
0.616 |
0 |
0 |
0 |
0.000 |
30 |
72 |
|
[COA]F:401 |
2 |
1 |
890 |
◊ |
D |
x-y,x,z+1/6 |
2_555 |
2 |
2 |
15400 |
1.4 |
-0.0 |
0.489 |
0 |
0 |
0 |
0.000 |
|