| ## |
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 |
81 |
23 |
6271 |
◊ |
A |
x,y,z |
1_555 |
83 |
25 |
6468 |
721.6 |
-4.4 |
0.614 |
20 |
0 |
0 |
0.060 |
2 |
|
D |
81 |
24 |
6425 |
◊ |
C |
x,y,z |
1_555 |
81 |
22 |
6278 |
708.8 |
-3.5 |
0.623 |
19 |
0 |
0 |
0.060 |
| Average: |
715.2 |
-4.0 |
0.619 |
20 |
0 |
0 |
0.060 |
| 2 |
3 |
|
D |
59 |
19 |
6425 |
◊ |
C |
-x,y-1/2,-z+1 |
2_546 |
50 |
15 |
6278 |
486.8 |
-0.5 |
0.705 |
6 |
4 |
0 |
0.018 |
4 |
|
B |
51 |
15 |
6271 |
◊ |
A |
-x+1,y-1/2,-z+1 |
2_646 |
58 |
19 |
6468 |
481.4 |
-0.7 |
0.732 |
5 |
4 |
0 |
0.018 |
| Average: |
484.1 |
-0.6 |
0.719 |
6 |
4 |
0 |
0.018 |
| 3 |
5 |
|
D |
47 |
17 |
6425 |
◊ |
B |
x,y,z |
1_555 |
47 |
17 |
6271 |
454.5 |
-10.9 |
0.022 |
4 |
0 |
0 |
0.062 |
6 |
|
C |
45 |
17 |
6278 |
◊ |
A |
x,y,z |
1_555 |
40 |
16 |
6468 |
423.2 |
-9.7 |
0.028 |
3 |
0 |
0 |
0.062 |
| Average: |
438.8 |
-10.3 |
0.025 |
4 |
0 |
0 |
0.062 |
| 4 |
7 |
|
D |
45 |
12 |
6425 |
◊ |
A |
x,y,z |
1_555 |
45 |
12 |
6468 |
392.8 |
-7.5 |
0.128 |
6 |
0 |
0 |
0.054 |
8 |
|
C |
42 |
12 |
6278 |
◊ |
B |
x,y,z |
1_555 |
44 |
12 |
6271 |
384.1 |
-7.0 |
0.171 |
7 |
0 |
0 |
0.054 |
| Average: |
388.4 |
-7.2 |
0.149 |
7 |
0 |
0 |
0.054 |
| 5 |
9 |
|
B |
30 |
13 |
6271 |
◊ |
A |
-x+1,y-1/2,-z |
2_645 |
25 |
9 |
6468 |
251.3 |
-2.2 |
0.417 |
2 |
0 |
0 |
0.000 |
10 |
|
D |
22 |
7 |
6425 |
◊ |
C |
-x,y-1/2,-z |
2_545 |
31 |
12 |
6278 |
245.6 |
-0.5 |
0.682 |
6 |
2 |
0 |
0.000 |
| Average: |
248.4 |
-1.3 |
0.550 |
4 |
1 |
0 |
0.000 |
| 6 |
11 |
|
B |
20 |
6 |
6271 |
◊ |
A |
x,y,z-1 |
1_554 |
22 |
6 |
6468 |
182.9 |
0.7 |
0.803 |
0 |
0 |
0 |
0.000 |
12 |
|
C |
13 |
4 |
6278 |
◊ |
D |
x,y,z-1 |
1_554 |
20 |
6 |
6425 |
146.2 |
-0.2 |
0.631 |
0 |
0 |
0 |
0.000 |
| Average: |
164.6 |
0.2 |
0.717 |
0 |
0 |
0 |
0.000 |
| 7 |
13 |
|
[GOL]A:133 |
6 |
1 |
212 |
f |
A |
x,y,z |
1_555 |
22 |
11 |
6468 |
126.9 |
-0.7 |
0.552 |
1 |
0 |
0 |
0.006 |
| 8 |
14 |
|
[ACT]C:132 |
4 |
1 |
183 |
f |
C |
x,y,z |
1_555 |
23 |
13 |
6278 |
114.2 |
-1.1 |
0.613 |
1 |
0 |
0 |
0.007 |
| 9 |
15 |
|
[ACT]B:131 |
4 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
22 |
12 |
6271 |
113.8 |
-1.0 |
0.633 |
0 |
0 |
0 |
0.005 |
| 10 |
16 |
|
[ACT]D:131 |
4 |
1 |
183 |
f |
D |
x,y,z |
1_555 |
24 |
12 |
6425 |
112.9 |
-0.9 |
0.609 |
0 |
0 |
0 |
0.005 |
| 11 |
17 |
|
[GOL]D:134 |
6 |
1 |
217 |
f |
D |
x,y,z |
1_555 |
12 |
6 |
6425 |
91.7 |
0.6 |
0.702 |
3 |
0 |
0 |
0.004 |
| 12 |
18 |
|
[ACT]C:131 |
4 |
1 |
183 |
f |
C |
x,y,z |
1_555 |
16 |
8 |
6278 |
90.1 |
-0.5 |
0.699 |
0 |
0 |
0 |
0.002 |
| 13 |
19 |
|
[ACT]A:134 |
4 |
1 |
182 |
f |
A |
x,y,z |
1_555 |
11 |
5 |
6468 |
83.2 |
0.3 |
0.804 |
2 |
0 |
0 |
0.003 |
| 14 |
20 |
|
[ACT]A:132 |
4 |
1 |
182 |
f |
A |
x,y,z |
1_555 |
9 |
5 |
6468 |
76.6 |
-0.2 |
0.730 |
3 |
0 |
0 |
0.008 |
| 15 |
21 |
|
[GOL]B:132 |
6 |
1 |
217 |
f |
B |
x,y,z |
1_555 |
14 |
6 |
6271 |
76.1 |
0.1 |
0.651 |
5 |
0 |
0 |
0.011 |
| 16 |
22 |
|
[ACT]D:132 |
4 |
1 |
182 |
◊ |
C |
x,y,z |
1_555 |
10 |
4 |
6278 |
74.7 |
-0.0 |
0.736 |
1 |
0 |
0 |
0.002 |
| 17 |
23 |
|
[GOL]D:133 |
6 |
1 |
216 |
f |
D |
x,y,z |
1_555 |
14 |
6 |
6425 |
73.7 |
-0.2 |
0.614 |
6 |
0 |
0 |
0.015 |
| 18 |
24 |
|
[ACT]A:132 |
4 |
1 |
182 |
◊ |
B |
x,y,z |
1_555 |
10 |
4 |
6271 |
73.3 |
-0.3 |
0.703 |
2 |
0 |
0 |
0.006 |
| 19 |
25 |
|
[GOL]D:133 |
6 |
1 |
216 |
◊ |
A |
x,y,z |
1_555 |
15 |
6 |
6468 |
73.0 |
-0.9 |
0.452 |
4 |
0 |
0 |
0.014 |
| 20 |
26 |
|
[ACT]D:132 |
4 |
1 |
182 |
f |
D |
x,y,z |
1_555 |
10 |
5 |
6425 |
71.7 |
-0.1 |
0.700 |
1 |
0 |
0 |
0.003 |
| 21 |
27 |
|
[GOL]B:132 |
6 |
1 |
217 |
◊ |
C |
x,y,z |
1_555 |
13 |
6 |
6278 |
71.2 |
-0.6 |
0.478 |
2 |
0 |
0 |
0.007 |
| 22 |
28 |
|
[ACT]C:131 |
4 |
1 |
183 |
◊ |
D |
x,y,z |
1_555 |
8 |
4 |
6425 |
59.6 |
0.1 |
0.739 |
0 |
0 |
0 |
0.000 |
| 23 |
29 |
|
[ZN]C:129 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
7 |
4 |
6278 |
49.7 |
-37.3 |
0.000 |
0 |
0 |
0 |
0.346 |
30 |
|
[ZN]B:129 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
7 |
4 |
6271 |
49.6 |
-37.1 |
0.000 |
0 |
0 |
0 |
0.346 |
31 |
|
[ZN]D:129 |
1 |
1 |
98 |
cf |
D |
x,y,z |
1_555 |
5 |
3 |
6425 |
37.5 |
-23.4 |
0.000 |
0 |
0 |
0 |
0.346 |
32 |
|
[ZN]A:130 |
1 |
1 |
98 |
cf |
A |
x,y,z |
1_555 |
4 |
3 |
6468 |
37.4 |
-22.9 |
0.000 |
0 |
0 |
0 |
0.346 |
| Average: |
43.6 |
-30.2 |
0.000 |
0 |
0 |
0 |
0.346 |
| 24 |
33 |
|
[ZN]C:128 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
7 |
3 |
6278 |
49.5 |
-30.9 |
0.000 |
0 |
0 |
0 |
0.312 |
34 |
|
[ZN]A:129 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
8 |
3 |
6468 |
49.1 |
-30.2 |
0.000 |
0 |
0 |
0 |
0.312 |
35 |
|
[ZN]B:128 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
6 |
3 |
6271 |
48.7 |
-30.8 |
0.000 |
0 |
0 |
0 |
0.312 |
36 |
|
[ZN]D:128 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
8 |
3 |
6425 |
48.6 |
-28.8 |
0.000 |
0 |
0 |
0 |
0.312 |
| Average: |
49.0 |
-30.2 |
0.000 |
0 |
0 |
0 |
0.312 |
| 25 |
37 |
|
[ZN]C:130 |
1 |
1 |
98 |
cf |
C |
x,y,z |
1_555 |
5 |
3 |
6278 |
44.5 |
-31.3 |
0.000 |
0 |
0 |
0 |
0.331 |
38 |
|
[ZN]D:130 |
1 |
1 |
98 |
cf |
D |
x,y,z |
1_555 |
6 |
4 |
6425 |
44.0 |
-31.4 |
0.000 |
0 |
0 |
0 |
0.331 |
39 |
|
[ZN]B:130 |
1 |
1 |
98 |
cf |
B |
x,y,z |
1_555 |
5 |
3 |
6271 |
43.9 |
-31.1 |
0.000 |
0 |
0 |
0 |
0.331 |
40 |
|
[ZN]A:131 |
1 |
1 |
98 |
cf |
A |
x,y,z |
1_555 |
6 |
4 |
6468 |
43.6 |
-31.3 |
0.000 |
0 |
0 |
0 |
0.331 |
| Average: |
44.0 |
-31.3 |
0.000 |
0 |
0 |
0 |
0.331 |
| 26 |
41 |
|
B |
6 |
2 |
6271 |
◊ |
[ZN]A:130 |
-x+1,y-1/2,-z+1 |
2_646 |
1 |
1 |
98 |
35.1 |
-16.1 |
0.000 |
0 |
0 |
0 |
0.077 |
42 |
|
[ZN]D:129 |
1 |
1 |
98 |
◊ |
C |
-x,y-1/2,-z+1 |
2_546 |
6 |
2 |
6278 |
34.4 |
-15.5 |
0.000 |
0 |
0 |
0 |
0.077 |
| Average: |
34.8 |
-15.8 |
0.000 |
0 |
0 |
0 |
0.077 |
| 27 |
43 |
|
[ZN]B:130 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
5 |
2 |
6468 |
18.9 |
-8.3 |
0.000 |
0 |
0 |
0 |
0.074 |
44 |
|
[ZN]C:130 |
1 |
1 |
98 |
◊ |
D |
x,y,z |
1_555 |
5 |
2 |
6425 |
17.9 |
-8.1 |
0.000 |
0 |
0 |
0 |
0.074 |
45 |
|
[ZN]D:130 |
1 |
1 |
98 |
◊ |
C |
x,y,z |
1_555 |
4 |
2 |
6278 |
17.8 |
-8.0 |
0.000 |
0 |
0 |
0 |
0.074 |
46 |
|
[ZN]A:131 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
4 |
2 |
6271 |
17.4 |
-8.0 |
0.000 |
0 |
0 |
0 |
0.074 |
| Average: |
18.0 |
-8.1 |
0.000 |
0 |
0 |
0 |
0.074 |
| 28 |
47 |
|
[GOL]B:132 |
3 |
1 |
217 |
◊ |
A |
x,y,z |
1_555 |
6 |
3 |
6468 |
18.1 |
0.2 |
0.621 |
0 |
0 |
0 |
0.000 |
| 29 |
48 |
|
[GOL]D:133 |
3 |
1 |
216 |
◊ |
C |
x,y,z |
1_555 |
6 |
3 |
6278 |
13.5 |
-0.1 |
0.546 |
0 |
0 |
0 |
0.000 |
| 30 |
49 |
|
[GOL]D:133 |
3 |
1 |
216 |
◊ |
B |
x,y,z |
1_555 |
3 |
2 |
6271 |
10.9 |
-0.1 |
0.542 |
0 |
0 |
0 |
0.000 |
| 31 |
50 |
|
[ACT]C:132 |
2 |
1 |
183 |
◊ |
D |
x,y,z |
1_555 |
2 |
2 |
6425 |
8.9 |
0.1 |
0.717 |
0 |
0 |
0 |
0.000 |
| 32 |
51 |
|
[GOL]B:132 |
2 |
1 |
217 |
◊ |
D |
x,y,z |
1_555 |
2 |
1 |
6425 |
5.5 |
-0.2 |
0.456 |
0 |
0 |
0 |
0.000 |
| 33 |
52 |
|
[GOL]A:133 |
1 |
1 |
212 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
6271 |
4.8 |
0.1 |
0.622 |
0 |
0 |
0 |
0.000 |
| 34 |
53 |
|
[ACT]D:131 |
1 |
1 |
183 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
6278 |
4.0 |
0.1 |
0.618 |
0 |
0 |
0 |
0.000 |
|