## |
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 |
51 |
17 |
29959 |
x |
B |
x,y-1,z |
1_545 |
59 |
17 |
29959 |
508.3 |
-4.6 |
0.147 |
1 |
0 |
0 |
0.000 |
2 |
|
A |
47 |
16 |
29853 |
x |
A |
x,y-1,z |
1_545 |
49 |
15 |
29853 |
446.7 |
-5.5 |
0.161 |
2 |
1 |
0 |
0.000 |
Average: |
477.5 |
-5.0 |
0.154 |
2 |
1 |
0 |
0.000 |
2 |
3 |
|
[4NY]B:910 |
31 |
1 |
658 |
f |
B |
x,y,z |
1_555 |
68 |
29 |
29959 |
481.2 |
-5.9 |
0.221 |
0 |
0 |
0 |
0.006 |
4 |
|
[4NY]A:910 |
31 |
1 |
658 |
f |
A |
x,y,z |
1_555 |
70 |
29 |
29853 |
481.0 |
-5.4 |
0.240 |
0 |
0 |
0 |
0.006 |
Average: |
481.1 |
-5.7 |
0.230 |
0 |
0 |
0 |
0.006 |
3 |
5 |
|
B |
50 |
17 |
29959 |
◊ |
A |
x,y,z |
1_555 |
37 |
14 |
29853 |
388.9 |
-1.0 |
0.614 |
3 |
1 |
0 |
0.000 |
6 |
|
A |
44 |
13 |
29853 |
◊ |
B |
x,y,z-1 |
1_554 |
34 |
13 |
29959 |
359.3 |
-1.3 |
0.595 |
4 |
2 |
0 |
0.000 |
Average: |
374.1 |
-1.1 |
0.604 |
4 |
2 |
0 |
0.000 |
4 |
7 |
|
B |
37 |
12 |
29959 |
◊ |
A |
x-1,y,z |
1_455 |
37 |
12 |
29853 |
328.8 |
-2.6 |
0.428 |
4 |
3 |
0 |
0.000 |
8 |
|
A |
26 |
10 |
29853 |
◊ |
B |
x-1,y,z-1 |
1_454 |
29 |
12 |
29959 |
258.3 |
-2.9 |
0.296 |
2 |
3 |
0 |
0.000 |
Average: |
293.5 |
-2.8 |
0.362 |
3 |
3 |
0 |
0.000 |
5 |
9 |
|
[NAG]B:901 |
13 |
1 |
362 |
cf |
B |
x,y,z |
1_555 |
28 |
12 |
29959 |
210.9 |
5.3 |
0.525 |
1 |
0 |
0 |
0.000 |
10 |
|
[NAG]A:901 |
13 |
1 |
362 |
cf |
A |
x,y,z |
1_555 |
29 |
12 |
29853 |
209.4 |
5.3 |
0.544 |
1 |
0 |
0 |
0.000 |
Average: |
210.2 |
5.3 |
0.535 |
1 |
0 |
0 |
0.000 |
6 |
11 |
|
B |
22 |
6 |
29959 |
x |
B |
x-1,y,z |
1_455 |
23 |
6 |
29959 |
198.0 |
-0.1 |
0.543 |
2 |
0 |
0 |
0.000 |
12 |
|
A |
13 |
6 |
29853 |
x |
A |
x-1,y,z |
1_455 |
12 |
4 |
29853 |
107.9 |
-1.6 |
0.286 |
0 |
0 |
0 |
0.000 |
Average: |
153.0 |
-0.8 |
0.415 |
1 |
0 |
0 |
0.000 |
7 |
13 |
|
[GOL]B:909 |
6 |
1 |
216 |
f |
B |
x,y,z |
1_555 |
16 |
9 |
29959 |
116.7 |
-1.0 |
0.349 |
5 |
0 |
0 |
0.003 |
8 |
14 |
|
[GOL]A:909 |
6 |
1 |
212 |
f |
A |
x,y,z |
1_555 |
14 |
9 |
29853 |
115.0 |
-1.1 |
0.288 |
5 |
0 |
0 |
0.003 |
9 |
15 |
|
[SCN]A:911 |
3 |
1 |
177 |
f |
A |
x,y,z |
1_555 |
19 |
9 |
29853 |
108.7 |
-3.6 |
0.473 |
0 |
0 |
0 |
0.003 |
10 |
16 |
|
[SCN]B:911 |
3 |
1 |
177 |
f |
B |
x,y,z |
1_555 |
18 |
9 |
29959 |
107.6 |
-3.5 |
0.477 |
1 |
0 |
0 |
0.004 |
11 |
17 |
|
[SCN]A:912 |
3 |
1 |
179 |
f |
A |
x,y,z |
1_555 |
19 |
6 |
29853 |
107.1 |
-3.5 |
0.450 |
1 |
0 |
0 |
0.004 |
12 |
18 |
|
[SCN]A:915 |
3 |
1 |
177 |
f |
A |
x,y,z |
1_555 |
16 |
9 |
29853 |
105.3 |
-1.6 |
0.589 |
2 |
0 |
0 |
0.002 |
13 |
19 |
|
[SCN]B:914 |
3 |
1 |
178 |
f |
B |
x,y,z |
1_555 |
15 |
9 |
29959 |
104.6 |
-1.7 |
0.588 |
2 |
0 |
0 |
0.002 |
14 |
20 |
|
[SCN]A:916 |
3 |
1 |
177 |
f |
A |
x,y,z |
1_555 |
17 |
8 |
29853 |
102.4 |
-2.9 |
0.625 |
0 |
0 |
0 |
0.003 |
15 |
21 |
|
[SCN]B:912 |
3 |
1 |
179 |
f |
B |
x,y,z |
1_555 |
18 |
7 |
29959 |
102.3 |
-3.9 |
0.445 |
0 |
0 |
0 |
0.004 |
16 |
22 |
|
[SCN]A:917 |
3 |
1 |
178 |
f |
A |
x,y,z |
1_555 |
16 |
11 |
29853 |
94.8 |
-3.8 |
0.448 |
0 |
0 |
0 |
0.003 |
17 |
23 |
|
[SCN]B:913 |
3 |
1 |
178 |
f |
B |
x,y,z |
1_555 |
16 |
11 |
29959 |
93.8 |
-3.5 |
0.445 |
0 |
0 |
0 |
0.003 |
18 |
24 |
|
[NAG]A:902 |
8 |
1 |
362 |
f |
A |
x,y,z |
1_555 |
12 |
6 |
29853 |
90.8 |
1.5 |
0.280 |
0 |
0 |
0 |
0.000 |
25 |
|
[NAG]B:902 |
8 |
1 |
362 |
f |
B |
x,y,z |
1_555 |
12 |
6 |
29959 |
90.6 |
1.3 |
0.237 |
0 |
0 |
0 |
0.000 |
Average: |
90.7 |
1.4 |
0.258 |
0 |
0 |
0 |
0.000 |
19 |
26 |
|
[SCN]A:914 |
3 |
1 |
178 |
f |
A |
x,y,z |
1_555 |
16 |
6 |
29853 |
88.2 |
-3.7 |
0.403 |
0 |
0 |
0 |
0.003 |
20 |
27 |
|
[SCN]B:915 |
3 |
1 |
178 |
f |
B |
x,y,z |
1_555 |
16 |
6 |
29959 |
86.5 |
-3.9 |
0.403 |
0 |
0 |
0 |
0.004 |
21 |
28 |
|
[SCN]A:913 |
3 |
1 |
178 |
f |
A |
x,y,z |
1_555 |
16 |
5 |
29853 |
85.9 |
-2.7 |
0.509 |
0 |
0 |
0 |
0.003 |
22 |
29 |
|
[NAG]B:902 |
9 |
1 |
362 |
cf |
[NAG]B:901 |
x,y,z |
1_555 |
6 |
1 |
362 |
74.0 |
1.8 |
0.097 |
0 |
0 |
0 |
0.000 |
30 |
|
[NAG]A:902 |
9 |
1 |
362 |
cf |
[NAG]A:901 |
x,y,z |
1_555 |
7 |
1 |
362 |
73.5 |
1.8 |
0.096 |
0 |
0 |
0 |
0.000 |
Average: |
73.7 |
1.8 |
0.097 |
0 |
0 |
0 |
0.000 |
23 |
31 |
|
[BMA]B:903 |
8 |
1 |
293 |
cf |
[NAG]B:902 |
x,y,z |
1_555 |
6 |
1 |
362 |
65.3 |
1.1 |
0.100 |
1 |
0 |
0 |
0.000 |
24 |
32 |
|
[NA]A:908 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
14 |
7 |
29853 |
64.0 |
-9.9 |
0.000 |
0 |
0 |
0 |
0.010 |
33 |
|
[NA]B:906 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
12 |
7 |
29959 |
63.7 |
-10.0 |
0.000 |
0 |
0 |
0 |
0.010 |
Average: |
63.8 |
-10.0 |
0.000 |
0 |
0 |
0 |
0.010 |
25 |
34 |
|
[NA]A:907 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
12 |
6 |
29853 |
63.8 |
-9.8 |
0.000 |
0 |
0 |
0 |
0.009 |
35 |
|
[NA]B:908 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
12 |
6 |
29959 |
63.4 |
-9.6 |
0.000 |
0 |
0 |
0 |
0.009 |
Average: |
63.6 |
-9.7 |
0.000 |
0 |
0 |
0 |
0.009 |
26 |
36 |
|
[BMA]A:903 |
6 |
1 |
294 |
cf |
[NAG]A:902 |
x,y,z |
1_555 |
6 |
1 |
362 |
61.9 |
1.1 |
0.114 |
1 |
0 |
0 |
0.000 |
27 |
37 |
|
[CA]A:906 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
10 |
6 |
29853 |
43.6 |
-12.8 |
0.000 |
0 |
0 |
0 |
0.012 |
38 |
|
[CA]B:907 |
1 |
1 |
85 |
f |
B |
x,y,z |
1_555 |
11 |
6 |
29959 |
43.5 |
-12.8 |
0.000 |
0 |
0 |
0 |
0.012 |
Average: |
43.5 |
-12.8 |
0.000 |
0 |
0 |
0 |
0.012 |
28 |
39 |
|
A |
4 |
2 |
29853 |
◊ |
[SCN]B:913 |
x,y,z-1 |
1_554 |
3 |
1 |
178 |
41.6 |
0.2 |
0.818 |
0 |
0 |
0 |
0.000 |
29 |
40 |
|
[SCN]A:917 |
3 |
1 |
178 |
◊ |
B |
x,y,z |
1_555 |
4 |
2 |
29959 |
36.9 |
0.3 |
0.779 |
0 |
0 |
0 |
0.000 |
30 |
41 |
|
[ZN]A:905 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
5 |
4 |
29853 |
36.2 |
-25.0 |
0.000 |
0 |
0 |
0 |
0.024 |
42 |
|
[ZN]B:905 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
5 |
4 |
29959 |
35.5 |
-25.0 |
0.000 |
0 |
0 |
0 |
0.024 |
Average: |
35.8 |
-25.0 |
0.000 |
0 |
0 |
0 |
0.024 |
31 |
43 |
|
[GOL]A:909 |
3 |
1 |
212 |
cf |
[ZN]A:905 |
x,y,z |
1_555 |
1 |
1 |
98 |
30.1 |
-11.5 |
0.000 |
0 |
0 |
0 |
0.011 |
44 |
|
[GOL]B:909 |
3 |
1 |
216 |
cf |
[ZN]B:905 |
x,y,z |
1_555 |
1 |
1 |
98 |
29.8 |
-11.6 |
0.000 |
0 |
0 |
0 |
0.011 |
Average: |
29.9 |
-11.5 |
0.000 |
0 |
0 |
0 |
0.011 |
32 |
45 |
|
[GOL]B:909 |
2 |
1 |
216 |
f |
[ZN]B:904 |
x,y,z |
1_555 |
1 |
1 |
98 |
18.6 |
-8.6 |
0.000 |
0 |
0 |
0 |
0.008 |
46 |
|
[GOL]A:909 |
3 |
1 |
212 |
f |
[ZN]A:904 |
x,y,z |
1_555 |
1 |
1 |
98 |
17.7 |
-7.8 |
0.000 |
0 |
0 |
0 |
0.008 |
Average: |
18.1 |
-8.2 |
0.000 |
0 |
0 |
0 |
0.008 |
33 |
47 |
|
[ZN]A:905 |
1 |
1 |
98 |
f |
[ZN]A:904 |
x,y,z |
1_555 |
1 |
1 |
98 |
6.5 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.005 |
34 |
48 |
|
[ZN]B:905 |
1 |
1 |
98 |
f |
[ZN]B:904 |
x,y,z |
1_555 |
1 |
1 |
98 |
6.5 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.005 |
35 |
49 |
|
[4NY]A:910 |
2 |
1 |
658 |
f |
[ZN]A:904 |
x,y,z |
1_555 |
1 |
1 |
98 |
6.1 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.002 |
50 |
|
[4NY]B:910 |
2 |
1 |
658 |
f |
[ZN]B:904 |
x,y,z |
1_555 |
1 |
1 |
98 |
5.7 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.002 |
Average: |
5.9 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.002 |
36 |
51 |
|
B |
1 |
1 |
29959 |
◊ |
A |
x,y-1,z |
1_545 |
1 |
1 |
29853 |
3.9 |
0.1 |
0.516 |
0 |
0 |
0 |
0.000 |
37 |
52 |
|
[SCN]B:914 |
1 |
1 |
178 |
f |
[GOL]B:909 |
x,y,z |
1_555 |
1 |
1 |
216 |
2.6 |
0.1 |
0.577 |
0 |
0 |
0 |
0.000 |
38 |
53 |
|
A |
1 |
1 |
29853 |
◊ |
[BMA]B:903 |
x,y,z-1 |
1_554 |
1 |
1 |
293 |
1.8 |
-0.0 |
0.271 |
0 |
0 |
0 |
0.000 |
39 |
54 |
|
[SCN]A:915 |
1 |
1 |
177 |
f |
[GOL]A:909 |
x,y,z |
1_555 |
1 |
1 |
212 |
1.7 |
0.0 |
0.577 |
0 |
0 |
0 |
0.000 |
40 |
55 |
|
A |
1 |
1 |
29853 |
◊ |
[NAG]B:902 |
x,y,z-1 |
1_554 |
1 |
1 |
362 |
0.7 |
-0.0 |
0.271 |
0 |
0 |
0 |
0.000 |
41 |
56 |
|
[BMA]A:903 |
1 |
1 |
294 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
29959 |
0.6 |
-0.0 |
0.307 |
0 |
0 |
0 |
0.000 |
|