| ## |
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 |
|
C |
182 |
48 |
12841 |
◊ |
B |
x,y,z |
1_555 |
187 |
49 |
13095 |
1774.0 |
-22.9 |
0.018 |
22 |
6 |
0 |
0.350 |
2 |
|
D |
179 |
47 |
12955 |
◊ |
A |
x,y,z |
1_555 |
188 |
48 |
13095 |
1758.3 |
-22.4 |
0.017 |
19 |
7 |
0 |
0.350 |
3 |
|
H |
180 |
48 |
13003 |
◊ |
E |
x,y,z |
1_555 |
180 |
47 |
12924 |
1738.3 |
-21.3 |
0.019 |
19 |
6 |
0 |
0.350 |
4 |
|
G |
181 |
48 |
13199 |
◊ |
F |
x,y,z |
1_555 |
182 |
47 |
12872 |
1731.6 |
-20.4 |
0.023 |
22 |
6 |
0 |
0.350 |
| Average: |
1750.5 |
-21.7 |
0.019 |
21 |
6 |
0 |
0.350 |
| 2 |
5 |
|
F |
193 |
46 |
12872 |
◊ |
E |
x,y,z |
1_555 |
195 |
47 |
12924 |
1712.2 |
-13.7 |
0.147 |
31 |
20 |
0 |
0.347 |
6 |
|
D |
191 |
46 |
12955 |
◊ |
C |
x,y,z |
1_555 |
189 |
45 |
12841 |
1708.3 |
-13.9 |
0.154 |
32 |
19 |
0 |
0.347 |
7 |
|
B |
183 |
44 |
13095 |
◊ |
A |
x,y,z |
1_555 |
191 |
45 |
13095 |
1707.7 |
-14.3 |
0.141 |
33 |
20 |
0 |
0.347 |
8 |
|
H |
191 |
44 |
13003 |
◊ |
G |
x,y,z |
1_555 |
187 |
46 |
13199 |
1704.5 |
-14.3 |
0.119 |
30 |
20 |
0 |
0.347 |
| Average: |
1708.2 |
-14.1 |
0.140 |
32 |
20 |
0 |
0.347 |
| 3 |
9 |
|
[NDP]G:301 |
45 |
1 |
889 |
f |
G |
x,y,z |
1_555 |
90 |
35 |
13199 |
570.4 |
-4.4 |
0.396 |
15 |
0 |
0 |
0.272 |
10 |
|
[NDP]A:301 |
45 |
1 |
877 |
f |
A |
x,y,z |
1_555 |
87 |
34 |
13095 |
565.4 |
-4.1 |
0.410 |
17 |
0 |
0 |
0.272 |
11 |
|
[NDP]C:301 |
47 |
1 |
883 |
f |
C |
x,y,z |
1_555 |
84 |
35 |
12841 |
565.1 |
-4.9 |
0.351 |
20 |
0 |
0 |
0.272 |
12 |
|
[NDP]D:301 |
45 |
1 |
880 |
f |
D |
x,y,z |
1_555 |
87 |
35 |
12955 |
564.0 |
-4.7 |
0.415 |
17 |
0 |
0 |
0.272 |
13 |
|
[NDP]H:301 |
46 |
1 |
885 |
f |
H |
x,y,z |
1_555 |
90 |
37 |
13003 |
563.7 |
-4.3 |
0.423 |
15 |
0 |
0 |
0.272 |
14 |
|
[NDP]F:301 |
47 |
1 |
870 |
f |
F |
x,y,z |
1_555 |
87 |
35 |
12872 |
562.7 |
-4.3 |
0.383 |
17 |
0 |
0 |
0.272 |
15 |
|
[NDP]E:301 |
45 |
1 |
864 |
f |
E |
x,y,z |
1_555 |
89 |
35 |
12924 |
562.2 |
-4.3 |
0.385 |
15 |
0 |
0 |
0.272 |
16 |
|
[NDP]B:301 |
45 |
1 |
880 |
f |
B |
x,y,z |
1_555 |
86 |
35 |
13095 |
559.5 |
-4.1 |
0.448 |
16 |
0 |
0 |
0.272 |
| Average: |
564.1 |
-4.4 |
0.402 |
17 |
0 |
0 |
0.272 |
| 4 |
17 |
|
[KAL]B:302 |
38 |
1 |
829 |
f |
B |
x,y,z |
1_555 |
77 |
25 |
13095 |
554.3 |
-12.4 |
0.291 |
5 |
0 |
0 |
0.351 |
18 |
|
[KAL]D:302 |
36 |
1 |
813 |
f |
D |
x,y,z |
1_555 |
74 |
25 |
12955 |
553.2 |
-12.3 |
0.275 |
6 |
0 |
0 |
0.351 |
19 |
|
[KAL]E:302 |
36 |
1 |
822 |
f |
E |
x,y,z |
1_555 |
72 |
23 |
12924 |
547.6 |
-13.5 |
0.196 |
5 |
0 |
0 |
0.351 |
20 |
|
[KAL]A:302 |
37 |
1 |
825 |
f |
A |
x,y,z |
1_555 |
73 |
24 |
13095 |
547.3 |
-13.5 |
0.200 |
6 |
0 |
0 |
0.351 |
21 |
|
[KAL]C:302 |
37 |
1 |
816 |
f |
C |
x,y,z |
1_555 |
78 |
25 |
12841 |
543.8 |
-14.0 |
0.188 |
8 |
0 |
0 |
0.351 |
22 |
|
[KAL]H:302 |
37 |
1 |
822 |
f |
H |
x,y,z |
1_555 |
81 |
28 |
13003 |
538.6 |
-12.8 |
0.244 |
7 |
0 |
0 |
0.351 |
23 |
|
[KAL]F:302 |
38 |
1 |
819 |
f |
F |
x,y,z |
1_555 |
75 |
25 |
12872 |
536.9 |
-13.7 |
0.206 |
5 |
0 |
0 |
0.351 |
24 |
|
[KAL]G:302 |
37 |
1 |
824 |
f |
G |
x,y,z |
1_555 |
73 |
25 |
13199 |
535.1 |
-13.6 |
0.219 |
6 |
0 |
0 |
0.351 |
| Average: |
544.6 |
-13.2 |
0.227 |
6 |
0 |
0 |
0.351 |
| 5 |
25 |
|
H |
56 |
13 |
13003 |
◊ |
F |
x,y,z |
1_555 |
54 |
13 |
12872 |
529.4 |
-3.1 |
0.364 |
5 |
2 |
0 |
0.042 |
26 |
|
G |
53 |
14 |
13199 |
◊ |
E |
x,y,z |
1_555 |
56 |
14 |
12924 |
522.4 |
-3.3 |
0.344 |
4 |
1 |
0 |
0.042 |
27 |
|
C |
53 |
13 |
12841 |
◊ |
A |
x,y,z |
1_555 |
54 |
13 |
13095 |
513.3 |
-3.5 |
0.339 |
4 |
0 |
0 |
0.042 |
28 |
|
D |
51 |
12 |
12955 |
◊ |
B |
x,y,z |
1_555 |
53 |
13 |
13095 |
510.1 |
-3.6 |
0.329 |
5 |
0 |
0 |
0.042 |
| Average: |
518.8 |
-3.4 |
0.344 |
5 |
1 |
0 |
0.042 |
| 6 |
29 |
|
E |
50 |
14 |
12924 |
◊ |
B |
-x-1/2,-y,z-1/2 |
2_454 |
39 |
10 |
13095 |
412.1 |
0.9 |
0.684 |
12 |
1 |
0 |
0.000 |
| 7 |
30 |
|
G |
36 |
11 |
13199 |
◊ |
D |
x,y,z |
1_555 |
43 |
15 |
12955 |
357.9 |
0.3 |
0.607 |
5 |
1 |
0 |
0.000 |
31 |
|
F |
32 |
10 |
12872 |
◊ |
A |
x,y,z |
1_555 |
29 |
7 |
13095 |
277.9 |
1.0 |
0.701 |
4 |
2 |
0 |
0.000 |
| Average: |
317.9 |
0.6 |
0.654 |
5 |
2 |
0 |
0.000 |
| 8 |
32 |
|
F |
32 |
12 |
12872 |
◊ |
E |
x-1/2,-y+1/2,-z-1 |
4_454 |
47 |
15 |
12924 |
337.3 |
3.6 |
0.814 |
1 |
6 |
0 |
0.000 |
33 |
|
B |
37 |
12 |
13095 |
◊ |
D |
-x,y-1/2,-z-1/2 |
3_544 |
30 |
10 |
12955 |
321.7 |
5.6 |
0.900 |
2 |
5 |
0 |
0.000 |
| Average: |
329.5 |
4.6 |
0.857 |
2 |
6 |
0 |
0.000 |
| 9 |
34 |
|
G |
32 |
9 |
13199 |
◊ |
A |
x,y,z |
1_555 |
32 |
9 |
13095 |
277.7 |
2.9 |
0.837 |
1 |
0 |
0 |
0.000 |
| 10 |
35 |
|
H |
34 |
11 |
13003 |
◊ |
E |
x-1,y,z |
1_455 |
24 |
9 |
12924 |
254.1 |
1.1 |
0.681 |
1 |
0 |
0 |
0.003 |
36 |
|
C |
21 |
8 |
12841 |
◊ |
B |
x-1,y,z |
1_455 |
23 |
7 |
13095 |
209.9 |
-0.2 |
0.593 |
1 |
0 |
0 |
0.003 |
| Average: |
232.0 |
0.5 |
0.637 |
1 |
0 |
0 |
0.003 |
| 11 |
37 |
|
F |
26 |
8 |
12872 |
x |
F |
x-1/2,-y+1/2,-z-1 |
4_454 |
23 |
8 |
12872 |
247.8 |
1.1 |
0.678 |
3 |
3 |
0 |
0.000 |
| 12 |
38 |
|
H |
28 |
11 |
13003 |
◊ |
G |
x-1/2,-y-1/2,-z-1 |
4_444 |
26 |
10 |
13199 |
245.7 |
0.7 |
0.584 |
1 |
1 |
0 |
0.000 |
| 13 |
39 |
|
H |
32 |
9 |
13003 |
◊ |
C |
-x-1/2,-y,z-1/2 |
2_454 |
26 |
8 |
12841 |
224.6 |
0.4 |
0.641 |
2 |
0 |
0 |
0.000 |
| 14 |
40 |
|
[KAL]H:302 |
14 |
1 |
822 |
f |
[NDP]H:301 |
x,y,z |
1_555 |
25 |
1 |
885 |
164.4 |
-3.5 |
0.587 |
2 |
0 |
0 |
0.085 |
41 |
|
[KAL]G:302 |
14 |
1 |
824 |
f |
[NDP]G:301 |
x,y,z |
1_555 |
21 |
1 |
889 |
162.6 |
-3.5 |
0.577 |
0 |
0 |
0 |
0.085 |
42 |
|
[KAL]B:302 |
16 |
1 |
829 |
f |
[NDP]B:301 |
x,y,z |
1_555 |
24 |
1 |
880 |
162.0 |
-3.1 |
0.621 |
0 |
0 |
0 |
0.085 |
43 |
|
[KAL]A:302 |
14 |
1 |
825 |
f |
[NDP]A:301 |
x,y,z |
1_555 |
22 |
1 |
877 |
162.0 |
-3.4 |
0.578 |
0 |
0 |
0 |
0.085 |
44 |
|
[KAL]C:302 |
15 |
1 |
816 |
f |
[NDP]C:301 |
x,y,z |
1_555 |
22 |
1 |
883 |
158.3 |
-2.2 |
0.670 |
0 |
0 |
0 |
0.085 |
45 |
|
[KAL]F:302 |
15 |
1 |
819 |
f |
[NDP]F:301 |
x,y,z |
1_555 |
25 |
1 |
870 |
157.3 |
-2.9 |
0.639 |
0 |
0 |
0 |
0.085 |
46 |
|
[KAL]E:302 |
15 |
1 |
822 |
f |
[NDP]E:301 |
x,y,z |
1_555 |
20 |
1 |
864 |
156.2 |
-2.2 |
0.675 |
0 |
0 |
0 |
0.085 |
47 |
|
[KAL]D:302 |
15 |
1 |
813 |
f |
[NDP]D:301 |
x,y,z |
1_555 |
22 |
1 |
880 |
152.9 |
-3.8 |
0.580 |
0 |
0 |
0 |
0.085 |
| Average: |
159.5 |
-3.1 |
0.616 |
0 |
0 |
0 |
0.085 |
| 15 |
48 |
|
A |
14 |
7 |
13095 |
◊ |
D |
-x-1,y-1/2,-z-1/2 |
3_444 |
16 |
5 |
12955 |
135.6 |
1.9 |
0.809 |
1 |
3 |
0 |
0.000 |
| 16 |
49 |
|
E |
12 |
6 |
12924 |
◊ |
C |
-x-1/2,-y,z-1/2 |
2_454 |
13 |
6 |
12841 |
130.0 |
1.4 |
0.787 |
0 |
0 |
0 |
0.000 |
| 17 |
50 |
|
A |
16 |
5 |
13095 |
◊ |
C |
-x-1,y-1/2,-z-1/2 |
3_444 |
20 |
7 |
12841 |
125.9 |
0.6 |
0.678 |
0 |
2 |
0 |
0.000 |
| 18 |
51 |
|
H |
17 |
7 |
13003 |
◊ |
F |
x-1/2,-y+1/2,-z-1 |
4_454 |
9 |
3 |
12872 |
125.8 |
1.8 |
0.766 |
2 |
2 |
0 |
0.000 |
| 19 |
52 |
|
A |
13 |
4 |
13095 |
◊ |
D |
-x,y-1/2,-z-1/2 |
3_544 |
13 |
3 |
12955 |
122.3 |
0.0 |
0.589 |
1 |
0 |
0 |
0.000 |
| 20 |
53 |
|
G |
12 |
4 |
13199 |
◊ |
C |
-x-1,y-1/2,-z-1/2 |
3_444 |
18 |
6 |
12841 |
92.4 |
1.4 |
0.724 |
1 |
1 |
0 |
0.000 |
| 21 |
54 |
|
C |
11 |
5 |
12841 |
◊ |
D |
-x-1,y-1/2,-z-1/2 |
3_444 |
9 |
3 |
12955 |
85.8 |
2.1 |
0.869 |
1 |
1 |
0 |
0.000 |
| 22 |
55 |
|
B |
4 |
2 |
13095 |
◊ |
D |
-x-1,y-1/2,-z-1/2 |
3_444 |
6 |
3 |
12955 |
33.3 |
0.5 |
0.738 |
0 |
0 |
0 |
0.000 |
| 23 |
56 |
|
F |
4 |
1 |
12872 |
◊ |
D |
x,y,z |
1_555 |
6 |
3 |
12955 |
33.0 |
0.5 |
0.734 |
0 |
0 |
0 |
0.000 |
| 24 |
57 |
|
D |
1 |
1 |
12955 |
◊ |
E |
x-1/2,-y+1/2,-z-1 |
4_454 |
3 |
1 |
12924 |
9.7 |
0.0 |
0.637 |
0 |
0 |
0 |
0.000 |
| 25 |
58 |
|
[KAL]H:302 |
1 |
1 |
822 |
◊ |
E |
x-1,y,z |
1_455 |
2 |
1 |
12924 |
9.3 |
0.2 |
0.629 |
0 |
0 |
0 |
0.000 |
59 |
|
C |
1 |
1 |
12841 |
◊ |
[KAL]B:302 |
x-1,y,z |
1_455 |
3 |
1 |
829 |
5.8 |
-0.0 |
0.509 |
0 |
0 |
0 |
0.000 |
| Average: |
7.5 |
0.1 |
0.569 |
0 |
0 |
0 |
0.000 |
| 26 |
60 |
|
H |
1 |
1 |
13003 |
◊ |
B |
-x-1/2,-y,z-1/2 |
2_454 |
1 |
1 |
13095 |
8.0 |
0.2 |
0.833 |
0 |
0 |
0 |
0.000 |
| 27 |
61 |
|
C |
1 |
1 |
12841 |
◊ |
[KAL]D:302 |
-x-1,y-1/2,-z-1/2 |
3_444 |
1 |
1 |
813 |
5.1 |
0.4 |
0.858 |
0 |
0 |
0 |
0.000 |
| 28 |
62 |
|
H |
1 |
1 |
13003 |
◊ |
[KAL]F:302 |
x-1/2,-y+1/2,-z-1 |
4_454 |
1 |
1 |
819 |
2.0 |
-0.0 |
0.704 |
0 |
0 |
0 |
0.000 |
|