## |
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 |
|
F |
99 |
30 |
12516 |
◊ |
E |
x,y,z |
1_555 |
95 |
28 |
12874 |
928.3 |
-1.8 |
0.559 |
11 |
5 |
0 |
0.012 |
2 |
|
B |
98 |
30 |
12542 |
◊ |
A |
x,y,z |
1_555 |
98 |
29 |
12718 |
915.7 |
-2.6 |
0.494 |
12 |
5 |
0 |
0.012 |
3 |
|
D |
89 |
30 |
12615 |
◊ |
C |
x,y,z |
1_555 |
90 |
29 |
12557 |
815.6 |
-5.4 |
0.338 |
8 |
3 |
0 |
0.012 |
Average: |
886.5 |
-3.3 |
0.464 |
10 |
4 |
0 |
0.012 |
2 |
4 |
|
E |
41 |
16 |
12874 |
x |
E |
x,y,z-1 |
1_554 |
33 |
13 |
12874 |
332.8 |
-0.6 |
0.546 |
2 |
0 |
0 |
0.000 |
5 |
|
F |
34 |
13 |
12516 |
x |
F |
x,y,z-1 |
1_554 |
35 |
12 |
12516 |
302.0 |
-1.5 |
0.484 |
1 |
0 |
0 |
0.000 |
6 |
|
B |
36 |
13 |
12542 |
x |
B |
x,y,z-1 |
1_554 |
33 |
12 |
12542 |
291.2 |
-2.6 |
0.365 |
0 |
0 |
0 |
0.000 |
7 |
|
D |
32 |
13 |
12615 |
x |
D |
x,y,z-1 |
1_554 |
34 |
14 |
12615 |
275.2 |
-2.6 |
0.364 |
1 |
0 |
0 |
0.000 |
8 |
|
A |
32 |
14 |
12718 |
x |
A |
x,y,z-1 |
1_554 |
27 |
10 |
12718 |
258.0 |
-1.9 |
0.409 |
2 |
0 |
0 |
0.000 |
9 |
|
C |
30 |
12 |
12557 |
x |
C |
x,y,z-1 |
1_554 |
29 |
12 |
12557 |
237.3 |
-1.1 |
0.497 |
1 |
0 |
0 |
0.000 |
Average: |
282.7 |
-1.7 |
0.444 |
1 |
0 |
0 |
0.000 |
3 |
10 |
|
B |
39 |
16 |
12542 |
◊ |
E |
-x,y-1/2,-z+1 |
2_546 |
32 |
11 |
12874 |
310.2 |
0.7 |
0.522 |
7 |
5 |
0 |
0.016 |
11 |
|
A |
27 |
10 |
12718 |
◊ |
F |
-x+1,y-1/2,-z+1 |
2_646 |
34 |
13 |
12516 |
279.7 |
0.7 |
0.478 |
8 |
3 |
0 |
0.016 |
Average: |
294.9 |
0.7 |
0.500 |
8 |
4 |
0 |
0.016 |
4 |
12 |
|
C |
25 |
8 |
12557 |
◊ |
F |
-x+1,y-1/2,-z+1 |
2_646 |
32 |
12 |
12516 |
306.9 |
-4.5 |
0.146 |
2 |
3 |
0 |
0.052 |
13 |
|
B |
32 |
12 |
12542 |
◊ |
D |
-x,y-1/2,-z+1 |
2_546 |
24 |
8 |
12615 |
291.0 |
-4.2 |
0.178 |
2 |
3 |
0 |
0.052 |
Average: |
299.0 |
-4.4 |
0.162 |
2 |
3 |
0 |
0.052 |
5 |
14 |
|
C |
26 |
9 |
12557 |
◊ |
A |
x,y,z |
1_555 |
31 |
11 |
12718 |
306.5 |
1.0 |
0.682 |
6 |
6 |
0 |
0.034 |
15 |
|
E |
31 |
11 |
12874 |
◊ |
D |
x,y,z |
1_555 |
22 |
7 |
12615 |
270.4 |
-0.2 |
0.570 |
5 |
6 |
0 |
0.034 |
Average: |
288.5 |
0.4 |
0.626 |
6 |
6 |
0 |
0.034 |
6 |
16 |
|
[8SO]C:802 |
26 |
1 |
640 |
f |
D |
x,y,z |
1_555 |
37 |
13 |
12615 |
279.4 |
-3.0 |
0.390 |
2 |
0 |
0 |
0.073 |
17 |
|
[8SO]A:902 |
25 |
1 |
632 |
f |
A |
x,y,z |
1_555 |
38 |
13 |
12718 |
269.6 |
-3.0 |
0.379 |
2 |
0 |
0 |
0.073 |
18 |
|
[8SO]E:902 |
24 |
1 |
626 |
f |
F |
x,y,z |
1_555 |
36 |
13 |
12516 |
261.1 |
-2.7 |
0.400 |
2 |
0 |
0 |
0.073 |
Average: |
270.0 |
-2.9 |
0.390 |
2 |
0 |
0 |
0.073 |
7 |
19 |
|
[8SO]C:802 |
26 |
1 |
640 |
◊ |
C |
x,y,z |
1_555 |
40 |
14 |
12557 |
279.0 |
-2.9 |
0.415 |
2 |
0 |
0 |
0.005 |
20 |
|
[8SO]A:902 |
26 |
1 |
632 |
◊ |
B |
x,y,z |
1_555 |
41 |
15 |
12542 |
271.8 |
-3.0 |
0.394 |
2 |
0 |
0 |
0.005 |
21 |
|
[8SO]E:902 |
26 |
1 |
626 |
◊ |
E |
x,y,z |
1_555 |
44 |
15 |
12874 |
271.8 |
-3.0 |
0.392 |
2 |
0 |
0 |
0.005 |
Average: |
274.2 |
-3.0 |
0.401 |
2 |
0 |
0 |
0.005 |
8 |
22 |
|
B |
17 |
5 |
12542 |
◊ |
E |
x,y-1,z |
1_545 |
24 |
9 |
12874 |
212.3 |
-4.2 |
0.064 |
2 |
0 |
0 |
0.000 |
23 |
|
A |
24 |
9 |
12718 |
◊ |
F |
x,y-1,z |
1_545 |
16 |
5 |
12516 |
208.5 |
-4.0 |
0.052 |
0 |
0 |
0 |
0.000 |
Average: |
210.4 |
-4.1 |
0.058 |
1 |
0 |
0 |
0.000 |
9 |
24 |
|
[GOL]A:905 |
6 |
1 |
214 |
f |
A |
x,y,z |
1_555 |
20 |
8 |
12718 |
121.8 |
-0.3 |
0.600 |
3 |
0 |
0 |
0.030 |
25 |
|
[GOL]E:905 |
6 |
1 |
216 |
f |
E |
x,y,z |
1_555 |
21 |
8 |
12874 |
120.8 |
-0.1 |
0.634 |
3 |
0 |
0 |
0.030 |
Average: |
121.3 |
-0.2 |
0.617 |
3 |
0 |
0 |
0.030 |
10 |
26 |
|
D |
12 |
4 |
12615 |
◊ |
E |
-x,y-1/2,-z+1 |
2_546 |
11 |
3 |
12874 |
108.0 |
1.0 |
0.748 |
1 |
3 |
0 |
0.002 |
27 |
|
A |
10 |
3 |
12718 |
◊ |
C |
-x+1,y-1/2,-z+1 |
2_646 |
10 |
4 |
12557 |
104.2 |
1.1 |
0.777 |
2 |
3 |
0 |
0.002 |
Average: |
106.1 |
1.1 |
0.763 |
2 |
3 |
0 |
0.002 |
11 |
28 |
|
[ACT]C:805 |
4 |
1 |
183 |
f |
C |
x,y,z |
1_555 |
15 |
7 |
12557 |
100.7 |
-0.7 |
0.591 |
2 |
0 |
0 |
0.018 |
29 |
|
[ACT]D:904 |
4 |
1 |
183 |
f |
D |
x,y,z |
1_555 |
15 |
7 |
12615 |
100.4 |
-0.7 |
0.589 |
2 |
0 |
0 |
0.018 |
Average: |
100.5 |
-0.7 |
0.590 |
2 |
0 |
0 |
0.018 |
12 |
30 |
|
[ACT]C:806 |
4 |
1 |
182 |
◊ |
C |
x,y,z |
1_555 |
15 |
6 |
12557 |
88.7 |
0.7 |
0.784 |
1 |
0 |
0 |
0.000 |
13 |
31 |
|
[ACT]C:806 |
4 |
1 |
182 |
f |
D |
x,y,z |
1_555 |
13 |
6 |
12615 |
83.1 |
0.9 |
0.791 |
2 |
0 |
0 |
0.000 |
14 |
32 |
|
C |
12 |
5 |
12557 |
◊ |
B |
x,y,z |
1_555 |
5 |
2 |
12542 |
73.9 |
1.1 |
0.750 |
2 |
0 |
0 |
0.000 |
33 |
|
F |
7 |
2 |
12516 |
◊ |
D |
x,y,z |
1_555 |
8 |
3 |
12615 |
73.7 |
1.0 |
0.741 |
2 |
0 |
0 |
0.000 |
Average: |
73.8 |
1.1 |
0.745 |
2 |
0 |
0 |
0.000 |
15 |
34 |
|
[ACT]E:904 |
4 |
1 |
182 |
◊ |
E |
x,y,z |
1_555 |
10 |
4 |
12874 |
72.8 |
-0.6 |
0.600 |
0 |
0 |
0 |
0.012 |
35 |
|
[ACT]A:904 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
12 |
5 |
12718 |
71.4 |
-0.4 |
0.621 |
0 |
0 |
0 |
0.012 |
Average: |
72.1 |
-0.5 |
0.610 |
0 |
0 |
0 |
0.012 |
16 |
36 |
|
[ACT]A:904 |
4 |
1 |
184 |
◊ |
F |
-x+1,y-1/2,-z+1 |
2_646 |
7 |
3 |
12516 |
61.0 |
-0.2 |
0.587 |
0 |
0 |
0 |
0.004 |
37 |
|
B |
7 |
3 |
12542 |
◊ |
[ACT]E:904 |
-x,y-1/2,-z+1 |
2_546 |
4 |
1 |
182 |
58.9 |
-0.2 |
0.569 |
0 |
0 |
0 |
0.004 |
Average: |
60.0 |
-0.2 |
0.578 |
0 |
0 |
0 |
0.004 |
17 |
38 |
|
[ZN]F:902 |
1 |
1 |
98 |
f |
F |
x,y,z |
1_555 |
11 |
6 |
12516 |
52.1 |
-35.5 |
0.000 |
0 |
0 |
0 |
0.579 |
39 |
|
[ZN]B:902 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
10 |
5 |
12542 |
51.3 |
-34.6 |
0.000 |
0 |
0 |
0 |
0.579 |
40 |
|
[ZN]C:804 |
1 |
1 |
98 |
cf |
C |
x,y,z |
1_555 |
11 |
6 |
12557 |
41.7 |
-26.3 |
0.000 |
0 |
0 |
0 |
0.579 |
41 |
|
[ZN]D:903 |
1 |
1 |
98 |
cf |
D |
x,y,z |
1_555 |
11 |
6 |
12615 |
40.7 |
-25.9 |
0.000 |
0 |
0 |
0 |
0.579 |
42 |
|
[ZN]D:905 |
1 |
1 |
98 |
f |
E |
x,y,z |
1_555 |
9 |
5 |
12874 |
39.5 |
-23.0 |
0.000 |
0 |
0 |
0 |
0.579 |
43 |
|
[ZN]A:906 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
8 |
5 |
12718 |
39.4 |
-22.8 |
0.000 |
0 |
0 |
0 |
0.579 |
Average: |
44.1 |
-28.0 |
0.000 |
0 |
0 |
0 |
0.579 |
18 |
44 |
|
[ZN]D:902 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
7 |
3 |
12615 |
38.8 |
-22.3 |
0.000 |
0 |
0 |
0 |
0.245 |
45 |
|
[ZN]C:803 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
7 |
3 |
12557 |
38.0 |
-21.4 |
0.000 |
0 |
0 |
0 |
0.245 |
Average: |
38.4 |
-21.9 |
0.000 |
0 |
0 |
0 |
0.245 |
19 |
46 |
|
[GOL]E:905 |
4 |
1 |
216 |
◊ |
[8SO]E:902 |
x,y,z |
1_555 |
3 |
1 |
626 |
36.7 |
-0.0 |
0.567 |
0 |
0 |
0 |
0.000 |
20 |
47 |
|
[ZN]D:905 |
1 |
1 |
98 |
c |
D |
x,y,z |
1_555 |
7 |
3 |
12615 |
36.1 |
-16.4 |
0.000 |
0 |
0 |
0 |
0.168 |
48 |
|
[ZN]A:906 |
1 |
1 |
98 |
c |
C |
x,y,z |
1_555 |
7 |
3 |
12557 |
35.8 |
-16.1 |
0.000 |
0 |
0 |
0 |
0.168 |
Average: |
36.0 |
-16.3 |
0.000 |
0 |
0 |
0 |
0.168 |
21 |
49 |
|
[ZN]C:803 |
1 |
1 |
98 |
◊ |
F |
-x+1,y-1/2,-z+1 |
2_646 |
7 |
3 |
12516 |
35.6 |
-18.0 |
0.000 |
0 |
0 |
0 |
0.284 |
50 |
|
B |
6 |
3 |
12542 |
◊ |
[ZN]D:902 |
-x,y-1/2,-z+1 |
2_546 |
1 |
1 |
98 |
34.0 |
-16.7 |
0.000 |
0 |
0 |
0 |
0.284 |
51 |
|
[ZN]E:903 |
1 |
1 |
98 |
◊ |
E |
x,y,z |
1_555 |
6 |
3 |
12874 |
31.5 |
-13.9 |
0.000 |
0 |
0 |
0 |
0.284 |
52 |
|
[ZN]A:903 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
6 |
3 |
12718 |
31.2 |
-14.0 |
0.000 |
0 |
0 |
0 |
0.284 |
Average: |
33.0 |
-15.6 |
0.000 |
0 |
0 |
0 |
0.284 |
22 |
53 |
|
B |
6 |
3 |
12542 |
◊ |
[ZN]E:903 |
-x,y-1/2,-z+1 |
2_546 |
1 |
1 |
98 |
32.3 |
-14.8 |
0.000 |
0 |
0 |
0 |
0.248 |
54 |
|
[ZN]A:903 |
1 |
1 |
98 |
◊ |
F |
-x+1,y-1/2,-z+1 |
2_646 |
6 |
3 |
12516 |
31.7 |
-14.5 |
0.000 |
0 |
0 |
0 |
0.248 |
Average: |
32.0 |
-14.7 |
0.000 |
0 |
0 |
0 |
0.248 |
23 |
55 |
|
[ZN]D:903 |
1 |
1 |
98 |
c |
E |
-x,y-1/2,-z+1 |
2_546 |
3 |
1 |
12874 |
31.4 |
-12.8 |
0.000 |
0 |
0 |
0 |
0.141 |
56 |
|
A |
3 |
1 |
12718 |
◊ |
[ZN]C:804 |
-x+1,y-1/2,-z+1 |
2_646 |
1 |
1 |
98 |
30.3 |
-12.4 |
0.000 |
0 |
0 |
0 |
0.141 |
Average: |
30.9 |
-12.6 |
0.000 |
0 |
0 |
0 |
0.141 |
24 |
57 |
|
[GOL]A:905 |
4 |
1 |
214 |
f |
[8SO]A:902 |
x,y,z |
1_555 |
4 |
1 |
632 |
31.1 |
0.2 |
0.610 |
0 |
0 |
0 |
0.000 |
25 |
58 |
|
[ACT]A:904 |
3 |
1 |
184 |
cf |
[ZN]A:903 |
x,y,z |
1_555 |
1 |
1 |
98 |
27.9 |
-10.3 |
0.000 |
0 |
0 |
0 |
0.205 |
59 |
|
[ACT]E:904 |
3 |
1 |
182 |
cf |
[ZN]E:903 |
x,y,z |
1_555 |
1 |
1 |
98 |
27.0 |
-10.0 |
0.000 |
0 |
0 |
0 |
0.205 |
Average: |
27.4 |
-10.2 |
0.000 |
0 |
0 |
0 |
0.205 |
26 |
60 |
|
[GOL]A:905 |
2 |
1 |
214 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
12542 |
21.6 |
-0.1 |
0.486 |
0 |
0 |
0 |
0.000 |
61 |
|
[GOL]E:905 |
2 |
1 |
216 |
◊ |
F |
x,y,z |
1_555 |
2 |
1 |
12516 |
21.4 |
-0.0 |
0.441 |
0 |
0 |
0 |
0.000 |
Average: |
21.5 |
-0.0 |
0.463 |
0 |
0 |
0 |
0.000 |
|