| ## |
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 |
|
D |
642 |
157 |
33585 |
◊ |
A |
x,y,z |
1_555 |
632 |
157 |
33799 |
5777.9 |
-35.2 |
0.360 |
96 |
44 |
0 |
0.495 |
2 |
|
C |
638 |
154 |
33826 |
◊ |
B |
x,y,z |
1_555 |
632 |
156 |
33664 |
5741.6 |
-30.4 |
0.518 |
93 |
45 |
0 |
0.495 |
| Average: |
5759.8 |
-32.8 |
0.439 |
95 |
45 |
0 |
0.495 |
| 2 |
3 |
|
D |
598 |
139 |
33585 |
◊ |
B |
x,y,z |
1_555 |
603 |
139 |
33664 |
5542.9 |
-57.6 |
0.036 |
71 |
4 |
0 |
0.526 |
4 |
|
C |
602 |
138 |
33826 |
◊ |
A |
x,y,z |
1_555 |
603 |
140 |
33799 |
5527.6 |
-59.8 |
0.019 |
69 |
1 |
0 |
0.526 |
| Average: |
5535.2 |
-58.7 |
0.028 |
70 |
3 |
0 |
0.526 |
| 3 |
5 |
|
B |
229 |
66 |
33664 |
◊ |
A |
x,y,z |
1_555 |
229 |
66 |
33799 |
2010.2 |
-11.1 |
0.502 |
36 |
6 |
0 |
0.264 |
6 |
|
D |
225 |
64 |
33585 |
◊ |
C |
x,y,z |
1_555 |
226 |
65 |
33826 |
2006.0 |
-12.6 |
0.409 |
35 |
8 |
0 |
0.264 |
| Average: |
2008.1 |
-11.8 |
0.456 |
36 |
7 |
0 |
0.264 |
| 4 |
7 |
|
A |
60 |
19 |
33799 |
◊ |
B |
-x,y-1/2,-z |
2_545 |
57 |
20 |
33664 |
490.1 |
-1.1 |
0.701 |
3 |
6 |
0 |
0.000 |
| 5 |
8 |
|
[HDD]D:760 |
42 |
1 |
819 |
cf |
D |
x,y,z |
1_555 |
94 |
30 |
33585 |
374.4 |
-11.1 |
0.607 |
5 |
0 |
0 |
0.234 |
9 |
|
[HDD]A:760 |
42 |
1 |
818 |
cf |
A |
x,y,z |
1_555 |
94 |
29 |
33799 |
369.9 |
-11.0 |
0.603 |
4 |
0 |
0 |
0.234 |
10 |
|
[HDD]B:760 |
42 |
1 |
810 |
cf |
B |
x,y,z |
1_555 |
94 |
29 |
33664 |
369.1 |
-10.7 |
0.587 |
5 |
0 |
0 |
0.234 |
11 |
|
[HDD]C:760 |
42 |
1 |
802 |
f |
C |
x,y,z |
1_555 |
93 |
29 |
33826 |
361.2 |
-9.0 |
0.665 |
5 |
0 |
0 |
0.234 |
| Average: |
368.7 |
-10.5 |
0.615 |
5 |
0 |
0 |
0.234 |
| 6 |
12 |
|
[HDE]B:761 |
42 |
1 |
801 |
cf |
B |
x,y,z |
1_555 |
94 |
29 |
33664 |
366.6 |
-10.7 |
0.583 |
4 |
0 |
0 |
0.229 |
13 |
|
[HDE]C:761 |
42 |
1 |
796 |
cf |
C |
x,y,z |
1_555 |
89 |
27 |
33826 |
364.5 |
-12.5 |
0.421 |
4 |
0 |
0 |
0.229 |
14 |
|
[HDE]A:761 |
42 |
1 |
800 |
cf |
A |
x,y,z |
1_555 |
92 |
29 |
33799 |
362.3 |
-9.2 |
0.680 |
5 |
0 |
0 |
0.229 |
15 |
|
[HDE]D:761 |
42 |
1 |
797 |
cf |
D |
x,y,z |
1_555 |
94 |
29 |
33585 |
360.4 |
-9.4 |
0.663 |
4 |
0 |
0 |
0.229 |
| Average: |
363.5 |
-10.4 |
0.587 |
4 |
0 |
0 |
0.229 |
| 7 |
16 |
|
C |
29 |
8 |
33826 |
◊ |
B |
-x,y-1/2,-z |
2_545 |
26 |
12 |
33664 |
264.5 |
0.3 |
0.633 |
2 |
1 |
0 |
0.000 |
| 8 |
17 |
|
[HDE]D:761 |
41 |
1 |
797 |
f |
[HDD]D:760 |
x,y,z |
1_555 |
42 |
1 |
819 |
242.2 |
-9.7 |
0.998 |
0 |
0 |
0 |
0.177 |
18 |
|
[HDE]A:761 |
41 |
1 |
800 |
f |
[HDD]A:760 |
x,y,z |
1_555 |
42 |
1 |
818 |
241.9 |
-9.9 |
0.996 |
0 |
0 |
0 |
0.177 |
19 |
|
[HDE]B:761 |
40 |
1 |
801 |
f |
[HDD]B:760 |
x,y,z |
1_555 |
42 |
1 |
810 |
240.5 |
-9.6 |
0.998 |
0 |
0 |
0 |
0.177 |
20 |
|
[HDE]C:761 |
40 |
1 |
796 |
f |
[HDD]C:760 |
x,y,z |
1_555 |
42 |
1 |
802 |
237.2 |
-9.5 |
0.996 |
0 |
0 |
0 |
0.177 |
| Average: |
240.5 |
-9.6 |
0.997 |
0 |
0 |
0 |
0.177 |
| 9 |
21 |
|
A |
30 |
7 |
33799 |
◊ |
D |
x-1,y,z |
1_455 |
28 |
8 |
33585 |
238.1 |
-1.1 |
0.554 |
0 |
0 |
0 |
0.000 |
| 10 |
22 |
|
C |
19 |
9 |
33826 |
◊ |
A |
x,y,z-1 |
1_554 |
17 |
8 |
33799 |
206.0 |
-1.1 |
0.502 |
1 |
1 |
0 |
0.000 |
| 11 |
23 |
|
A |
24 |
10 |
33799 |
◊ |
D |
-x+1,y-1/2,-z+1 |
2_646 |
22 |
9 |
33585 |
196.3 |
0.1 |
0.690 |
2 |
2 |
0 |
0.000 |
| 12 |
24 |
|
C |
9 |
3 |
33826 |
◊ |
D |
-x+1,y-1/2,-z |
2_645 |
12 |
5 |
33585 |
83.4 |
2.0 |
0.911 |
1 |
1 |
0 |
0.000 |
| 13 |
25 |
|
[HDD]D:760 |
8 |
1 |
819 |
◊ |
A |
x,y,z |
1_555 |
10 |
3 |
33799 |
55.2 |
-1.5 |
0.469 |
0 |
0 |
0 |
0.017 |
26 |
|
[HDD]B:760 |
7 |
1 |
810 |
◊ |
C |
x,y,z |
1_555 |
10 |
3 |
33826 |
54.4 |
-1.4 |
0.457 |
0 |
0 |
0 |
0.017 |
27 |
|
[HDD]C:760 |
8 |
1 |
802 |
◊ |
B |
x,y,z |
1_555 |
10 |
3 |
33664 |
53.4 |
-1.4 |
0.491 |
0 |
0 |
0 |
0.017 |
28 |
|
[HDD]A:760 |
6 |
1 |
818 |
◊ |
D |
x,y,z |
1_555 |
9 |
3 |
33585 |
53.1 |
-1.4 |
0.411 |
0 |
0 |
0 |
0.017 |
| Average: |
54.0 |
-1.4 |
0.457 |
0 |
0 |
0 |
0.017 |
| 14 |
29 |
|
C |
7 |
4 |
33826 |
◊ |
D |
-x,y-1/2,-z |
2_545 |
8 |
4 |
33585 |
49.9 |
0.9 |
0.839 |
2 |
0 |
0 |
0.000 |
| 15 |
30 |
|
[HDE]A:761 |
7 |
1 |
800 |
◊ |
D |
x,y,z |
1_555 |
9 |
3 |
33585 |
49.8 |
-1.3 |
0.473 |
0 |
0 |
0 |
0.014 |
31 |
|
[HDE]C:761 |
6 |
1 |
796 |
◊ |
B |
x,y,z |
1_555 |
8 |
3 |
33664 |
47.3 |
-1.1 |
0.487 |
0 |
0 |
0 |
0.014 |
32 |
|
[HDE]B:761 |
6 |
1 |
801 |
◊ |
C |
x,y,z |
1_555 |
8 |
3 |
33826 |
45.7 |
-1.1 |
0.486 |
0 |
0 |
0 |
0.014 |
33 |
|
[HDE]D:761 |
7 |
1 |
797 |
◊ |
A |
x,y,z |
1_555 |
9 |
3 |
33799 |
45.4 |
-1.1 |
0.520 |
0 |
0 |
0 |
0.014 |
| Average: |
47.0 |
-1.2 |
0.491 |
0 |
0 |
0 |
0.014 |
| 16 |
34 |
|
[H2S]C:754 |
1 |
1 |
133 |
f |
C |
x,y,z |
1_555 |
14 |
8 |
33826 |
42.5 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.057 |
35 |
|
[H2S]B:754 |
1 |
1 |
133 |
f |
B |
x,y,z |
1_555 |
12 |
7 |
33664 |
41.7 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.057 |
36 |
|
[H2S]D:754 |
1 |
1 |
133 |
f |
D |
x,y,z |
1_555 |
15 |
8 |
33585 |
41.6 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.057 |
37 |
|
[H2S]A:754 |
1 |
1 |
133 |
f |
A |
x,y,z |
1_555 |
12 |
7 |
33799 |
39.9 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.057 |
| Average: |
41.4 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.057 |
| 17 |
38 |
|
[H2S]A:754 |
1 |
1 |
133 |
f |
[HDD]A:760 |
x,y,z |
1_555 |
3 |
1 |
818 |
29.0 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.030 |
39 |
|
[H2S]C:754 |
1 |
1 |
133 |
f |
[HDD]C:760 |
x,y,z |
1_555 |
3 |
1 |
802 |
28.1 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.030 |
40 |
|
[H2S]B:754 |
1 |
1 |
133 |
f |
[HDD]B:760 |
x,y,z |
1_555 |
3 |
1 |
810 |
27.5 |
-1.5 |
0.000 |
0 |
0 |
0 |
0.030 |
41 |
|
[H2S]D:754 |
1 |
1 |
133 |
f |
[HDD]D:760 |
x,y,z |
1_555 |
3 |
1 |
819 |
27.0 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.030 |
| Average: |
27.9 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.030 |
| 18 |
42 |
|
[H2S]B:754 |
1 |
1 |
133 |
f |
[HDE]B:761 |
x,y,z |
1_555 |
2 |
1 |
801 |
27.1 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.029 |
43 |
|
[H2S]D:754 |
1 |
1 |
133 |
f |
[HDE]D:761 |
x,y,z |
1_555 |
2 |
1 |
797 |
26.7 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.029 |
44 |
|
[H2S]C:754 |
1 |
1 |
133 |
f |
[HDE]C:761 |
x,y,z |
1_555 |
2 |
1 |
796 |
25.9 |
-1.5 |
0.000 |
0 |
0 |
0 |
0.029 |
45 |
|
[H2S]A:754 |
1 |
1 |
133 |
f |
[HDE]A:761 |
x,y,z |
1_555 |
2 |
1 |
800 |
25.3 |
-1.5 |
0.000 |
0 |
0 |
0 |
0.029 |
| Average: |
26.3 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.029 |
| 19 |
46 |
|
C |
2 |
1 |
33826 |
◊ |
A |
-x,y-1/2,-z |
2_545 |
2 |
1 |
33799 |
25.8 |
0.7 |
0.900 |
1 |
1 |
0 |
0.000 |
| 20 |
47 |
|
B |
3 |
1 |
33664 |
◊ |
D |
x-1,y,z |
1_455 |
4 |
2 |
33585 |
23.3 |
0.6 |
0.847 |
0 |
0 |
0 |
0.000 |
| 21 |
48 |
|
C |
6 |
3 |
33826 |
◊ |
D |
x,y,z-1 |
1_554 |
3 |
2 |
33585 |
23.2 |
0.6 |
0.794 |
0 |
0 |
0 |
0.000 |
| 22 |
49 |
|
B |
2 |
2 |
33664 |
◊ |
C |
x-1,y,z |
1_455 |
3 |
2 |
33826 |
15.2 |
0.5 |
0.840 |
0 |
0 |
0 |
0.000 |
| 23 |
50 |
|
A |
1 |
1 |
33799 |
◊ |
C |
x-1,y,z |
1_455 |
1 |
1 |
33826 |
13.8 |
0.4 |
0.891 |
0 |
0 |
0 |
0.000 |
| 24 |
51 |
|
B |
1 |
1 |
33664 |
◊ |
A |
x,y,z-1 |
1_554 |
2 |
1 |
33799 |
3.7 |
-0.0 |
0.496 |
0 |
0 |
0 |
0.000 |
| 25 |
52 |
|
B |
1 |
1 |
33664 |
◊ |
D |
x-1,y,z-1 |
1_454 |
1 |
1 |
33585 |
0.4 |
0.0 |
0.632 |
0 |
0 |
0 |
0.000 |
|