| ## |
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 |
54 |
14 |
10342 |
◊ |
A |
x,y,z |
1_555 |
55 |
14 |
10875 |
582.8 |
-3.6 |
0.322 |
8 |
14 |
0 |
0.456 |
2 |
|
D |
54 |
14 |
10253 |
◊ |
B |
x,y,z |
1_555 |
53 |
14 |
10896 |
572.1 |
-4.2 |
0.297 |
8 |
12 |
0 |
0.456 |
| Average: |
577.4 |
-3.9 |
0.309 |
8 |
13 |
0 |
0.456 |
| 2 |
3 |
|
F |
38 |
5 |
825 |
◊ |
B |
x,y,z |
1_555 |
57 |
21 |
10896 |
450.8 |
-12.5 |
0.363 |
9 |
0 |
0 |
1.000 |
4 |
|
E |
38 |
5 |
822 |
◊ |
A |
x,y,z |
1_555 |
55 |
21 |
10875 |
449.0 |
-12.6 |
0.322 |
9 |
0 |
0 |
1.000 |
5 |
|
H |
37 |
5 |
819 |
◊ |
D |
x,y,z |
1_555 |
61 |
21 |
10253 |
444.4 |
-12.7 |
0.308 |
9 |
0 |
0 |
1.000 |
6 |
|
G |
37 |
5 |
819 |
◊ |
C |
x,y,z |
1_555 |
62 |
21 |
10342 |
444.4 |
-12.7 |
0.311 |
9 |
0 |
0 |
1.000 |
| Average: |
447.1 |
-12.6 |
0.326 |
9 |
0 |
0 |
1.000 |
| 3 |
7 |
|
B |
52 |
14 |
10896 |
◊ |
A |
x,y,z |
1_555 |
50 |
14 |
10875 |
427.0 |
-0.8 |
0.560 |
9 |
4 |
0 |
0.265 |
8 |
|
D |
49 |
14 |
10253 |
◊ |
C |
x,y,z |
1_555 |
52 |
14 |
10342 |
423.1 |
-0.9 |
0.506 |
9 |
4 |
0 |
0.265 |
| Average: |
425.0 |
-0.9 |
0.533 |
9 |
4 |
0 |
0.265 |
| 4 |
9 |
|
B |
34 |
12 |
10896 |
◊ |
C |
-y+2/3,x-y+1/3,z+1/3 |
5_555 |
40 |
12 |
10342 |
350.0 |
1.8 |
0.669 |
3 |
5 |
0 |
0.000 |
| 5 |
10 |
|
C |
32 |
8 |
10342 |
◊ |
B |
x,y,z |
1_555 |
37 |
10 |
10896 |
319.4 |
-5.8 |
0.109 |
0 |
2 |
0 |
0.317 |
11 |
|
D |
36 |
9 |
10253 |
◊ |
A |
x,y,z |
1_555 |
33 |
10 |
10875 |
301.5 |
-6.2 |
0.085 |
1 |
2 |
0 |
0.317 |
| Average: |
310.5 |
-6.0 |
0.097 |
1 |
2 |
0 |
0.317 |
| 6 |
12 |
|
B |
30 |
7 |
10896 |
◊ |
C |
-x+y-1/3,-x+1/3,z+1/3 |
6_455 |
34 |
10 |
10342 |
304.9 |
-1.3 |
0.457 |
3 |
0 |
0 |
0.000 |
| 7 |
13 |
|
B |
37 |
11 |
10896 |
◊ |
A |
-y+2/3,x-y+1/3,z+1/3 |
5_555 |
31 |
9 |
10875 |
303.4 |
-1.9 |
0.381 |
2 |
0 |
0 |
0.000 |
| 8 |
14 |
|
[PG4]A:198 |
11 |
1 |
372 |
◊ |
A |
x,y,z |
1_555 |
28 |
8 |
10875 |
187.0 |
5.3 |
0.329 |
0 |
0 |
0 |
0.000 |
| 9 |
15 |
|
D |
20 |
8 |
10253 |
x |
D |
-y,x-y,z |
2_555 |
20 |
7 |
10253 |
162.4 |
-0.2 |
0.380 |
1 |
2 |
0 |
0.000 |
| 10 |
16 |
|
A |
13 |
4 |
10875 |
x |
A |
-y+2/3,x-y+1/3,z+1/3 |
5_555 |
21 |
5 |
10875 |
154.6 |
2.1 |
0.788 |
1 |
5 |
0 |
0.000 |
| 11 |
17 |
|
D |
20 |
4 |
10253 |
◊ |
C |
-x+y-1/3,-x+1/3,z+1/3 |
6_455 |
21 |
5 |
10342 |
149.1 |
0.5 |
0.606 |
2 |
0 |
0 |
0.000 |
| 12 |
18 |
|
D |
11 |
4 |
10253 |
◊ |
A |
-y,x-y,z |
2_555 |
19 |
5 |
10875 |
130.4 |
0.8 |
0.669 |
0 |
0 |
0 |
0.000 |
| 13 |
19 |
|
B |
13 |
5 |
10896 |
◊ |
D |
-x+y-1/3,-x+1/3,z+1/3 |
6_455 |
16 |
4 |
10253 |
126.1 |
2.4 |
0.801 |
0 |
4 |
0 |
0.000 |
| 14 |
20 |
|
[IMD]B:196 |
5 |
1 |
196 |
◊ |
C |
x,y,z |
1_555 |
14 |
5 |
10342 |
91.5 |
2.2 |
0.193 |
0 |
0 |
0 |
0.000 |
| 15 |
21 |
|
[IMD]A:196 |
5 |
1 |
199 |
◊ |
A |
x,y,z |
1_555 |
15 |
5 |
10875 |
91.0 |
2.2 |
0.201 |
0 |
0 |
0 |
0.000 |
| 16 |
22 |
|
[IMD]C:196 |
5 |
1 |
197 |
◊ |
B |
x,y,z |
1_555 |
16 |
5 |
10896 |
89.4 |
2.2 |
0.186 |
0 |
0 |
0 |
0.000 |
| 17 |
23 |
|
[IMD]A:197 |
5 |
1 |
198 |
◊ |
D |
x,y,z |
1_555 |
16 |
6 |
10253 |
86.7 |
2.0 |
0.172 |
0 |
0 |
0 |
0.000 |
| 18 |
24 |
|
[SET]H:9 |
7 |
1 |
245 |
cf |
H |
x,y,z |
1_555 |
11 |
2 |
819 |
79.8 |
0.2 |
0.577 |
1 |
0 |
0 |
0.022 |
| 19 |
25 |
|
[N7P]H:3 |
7 |
1 |
303 |
◊ |
D |
x,y,z |
1_555 |
13 |
7 |
10253 |
77.6 |
1.9 |
0.042 |
1 |
0 |
0 |
0.000 |
26 |
|
[N7P]F:3 |
6 |
1 |
303 |
◊ |
B |
x,y,z |
1_555 |
10 |
5 |
10896 |
77.1 |
0.9 |
0.057 |
0 |
0 |
0 |
0.000 |
27 |
|
[N7P]E:3 |
6 |
1 |
301 |
◊ |
A |
x,y,z |
1_555 |
9 |
5 |
10875 |
72.6 |
0.9 |
0.057 |
0 |
0 |
0 |
0.000 |
| Average: |
75.8 |
1.2 |
0.052 |
0 |
0 |
0 |
0.000 |
| 20 |
28 |
|
[N7P]G:3 |
6 |
1 |
303 |
◊ |
C |
x,y,z |
1_555 |
15 |
8 |
10342 |
76.5 |
2.1 |
0.121 |
0 |
0 |
0 |
0.000 |
| 21 |
29 |
|
[SET]F:9 |
5 |
1 |
243 |
cf |
F |
x,y,z |
1_555 |
11 |
2 |
825 |
72.8 |
-0.1 |
0.578 |
0 |
0 |
0 |
0.005 |
| 22 |
30 |
|
[SET]E:9 |
6 |
1 |
244 |
cf |
E |
x,y,z |
1_555 |
10 |
2 |
822 |
72.5 |
-0.2 |
0.537 |
0 |
0 |
0 |
0.014 |
| 23 |
31 |
|
[SET]G:9 |
5 |
1 |
241 |
cf |
G |
x,y,z |
1_555 |
11 |
2 |
819 |
72.4 |
-0.2 |
0.590 |
0 |
0 |
0 |
0.013 |
| 24 |
32 |
|
[N7P]G:3 |
6 |
1 |
303 |
cf |
G |
x,y,z |
1_555 |
9 |
3 |
819 |
64.7 |
1.9 |
0.096 |
0 |
0 |
0 |
0.000 |
| 25 |
33 |
|
[N7P]E:3 |
5 |
1 |
301 |
cf |
E |
x,y,z |
1_555 |
7 |
3 |
822 |
64.0 |
2.0 |
0.192 |
0 |
0 |
0 |
0.000 |
34 |
|
[N7P]H:3 |
5 |
1 |
303 |
cf |
H |
x,y,z |
1_555 |
7 |
3 |
819 |
62.2 |
1.8 |
0.195 |
0 |
0 |
0 |
0.000 |
35 |
|
[N7P]F:3 |
5 |
1 |
303 |
cf |
F |
x,y,z |
1_555 |
7 |
3 |
825 |
62.2 |
1.8 |
0.162 |
0 |
0 |
0 |
0.000 |
| Average: |
62.8 |
1.9 |
0.183 |
0 |
0 |
0 |
0.000 |
| 26 |
36 |
|
[N7P]G:3 |
3 |
1 |
303 |
◊ |
B |
x,y,z |
1_555 |
9 |
2 |
10896 |
63.2 |
2.7 |
0.614 |
0 |
0 |
0 |
0.000 |
| 27 |
37 |
|
[IMD]B:196 |
5 |
1 |
196 |
◊ |
B |
x,y,z |
1_555 |
7 |
1 |
10896 |
57.3 |
0.7 |
0.054 |
0 |
0 |
0 |
0.000 |
| 28 |
38 |
|
[IMD]C:196 |
5 |
1 |
197 |
◊ |
C |
x,y,z |
1_555 |
7 |
1 |
10342 |
57.1 |
0.5 |
0.041 |
0 |
0 |
0 |
0.000 |
| 29 |
39 |
|
[N7P]H:3 |
5 |
1 |
303 |
◊ |
A |
x,y,z |
1_555 |
6 |
2 |
10875 |
57.1 |
2.7 |
0.226 |
0 |
0 |
0 |
0.000 |
40 |
|
[N7P]E:3 |
3 |
1 |
301 |
◊ |
D |
x,y,z |
1_555 |
7 |
2 |
10253 |
55.7 |
2.4 |
0.526 |
0 |
0 |
0 |
0.000 |
41 |
|
[N7P]F:3 |
3 |
1 |
303 |
◊ |
C |
x,y,z |
1_555 |
6 |
2 |
10342 |
54.7 |
2.5 |
0.554 |
0 |
0 |
0 |
0.000 |
| Average: |
55.8 |
2.5 |
0.436 |
0 |
0 |
0 |
0.000 |
| 30 |
42 |
|
[IMD]A:197 |
5 |
1 |
198 |
◊ |
A |
x,y,z |
1_555 |
7 |
1 |
10875 |
56.9 |
0.6 |
0.053 |
0 |
0 |
0 |
0.000 |
| 31 |
43 |
|
[IMD]A:196 |
5 |
1 |
199 |
◊ |
D |
x,y,z |
1_555 |
7 |
1 |
10253 |
53.6 |
0.7 |
0.044 |
0 |
0 |
0 |
0.000 |
| 32 |
44 |
|
C |
5 |
3 |
10342 |
x |
C |
-y+1,x-y+1,z |
2_665 |
6 |
2 |
10342 |
52.2 |
1.2 |
0.743 |
0 |
3 |
0 |
0.000 |
| 33 |
45 |
|
[SET]E:9 |
3 |
1 |
244 |
◊ |
C |
x,y,z |
1_555 |
5 |
2 |
10342 |
29.5 |
0.1 |
0.440 |
0 |
0 |
0 |
0.000 |
| 34 |
46 |
|
[SET]G:9 |
2 |
1 |
241 |
◊ |
A |
x,y,z |
1_555 |
4 |
2 |
10875 |
29.3 |
-0.0 |
0.470 |
0 |
0 |
0 |
0.000 |
| 35 |
47 |
|
[PG4]A:198 |
3 |
1 |
372 |
f |
A |
-y+2/3,x-y+1/3,z+1/3 |
5_555 |
4 |
1 |
10875 |
28.2 |
1.6 |
0.456 |
0 |
0 |
0 |
0.000 |
| 36 |
48 |
|
[SET]F:9 |
2 |
1 |
243 |
◊ |
D |
x,y,z |
1_555 |
5 |
2 |
10253 |
27.1 |
0.1 |
0.502 |
0 |
0 |
0 |
0.000 |
| 37 |
49 |
|
[IMD]C:196 |
2 |
1 |
197 |
f |
G |
x,y,z |
1_555 |
4 |
1 |
819 |
26.3 |
0.5 |
0.325 |
0 |
0 |
0 |
0.000 |
| 38 |
50 |
|
[SET]H:9 |
2 |
1 |
245 |
◊ |
B |
x,y,z |
1_555 |
5 |
2 |
10896 |
21.9 |
0.1 |
0.478 |
0 |
0 |
0 |
0.000 |
| 39 |
51 |
|
[IMD]A:196 |
2 |
1 |
199 |
f |
H |
x,y,z |
1_555 |
3 |
1 |
819 |
21.1 |
0.4 |
0.311 |
0 |
0 |
0 |
0.000 |
| 40 |
52 |
|
[SET]G:9 |
2 |
1 |
241 |
◊ |
C |
x,y,z |
1_555 |
3 |
2 |
10342 |
20.1 |
-0.1 |
0.360 |
0 |
0 |
0 |
0.007 |
| 41 |
53 |
|
[IMD]A:197 |
2 |
1 |
198 |
f |
E |
x,y,z |
1_555 |
4 |
1 |
822 |
19.9 |
0.4 |
0.334 |
0 |
0 |
0 |
0.000 |
| 42 |
54 |
|
[SET]F:9 |
2 |
1 |
243 |
◊ |
B |
x,y,z |
1_555 |
3 |
2 |
10896 |
18.6 |
-0.1 |
0.366 |
0 |
0 |
0 |
0.006 |
| 43 |
55 |
|
[SET]H:9 |
2 |
1 |
245 |
◊ |
D |
x,y,z |
1_555 |
4 |
3 |
10253 |
16.2 |
-0.1 |
0.384 |
0 |
0 |
0 |
0.005 |
| 44 |
56 |
|
[IMD]B:196 |
2 |
1 |
196 |
f |
F |
x,y,z |
1_555 |
3 |
1 |
825 |
15.0 |
0.3 |
0.325 |
0 |
0 |
0 |
0.000 |
| 45 |
57 |
|
[SET]E:9 |
1 |
1 |
244 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
10875 |
10.2 |
-0.0 |
0.394 |
0 |
0 |
0 |
0.003 |
| 46 |
58 |
|
H |
2 |
1 |
819 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
10875 |
6.6 |
0.0 |
0.732 |
0 |
0 |
0 |
0.000 |
59 |
|
G |
2 |
1 |
819 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
10896 |
5.2 |
-0.0 |
0.678 |
0 |
0 |
0 |
0.000 |
60 |
|
E |
2 |
1 |
822 |
◊ |
D |
x,y,z |
1_555 |
1 |
1 |
10253 |
2.6 |
-0.0 |
0.683 |
0 |
0 |
0 |
0.000 |
61 |
|
F |
2 |
1 |
825 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
10342 |
2.0 |
0.0 |
0.733 |
0 |
0 |
0 |
0.000 |
| Average: |
4.1 |
-0.0 |
0.707 |
0 |
0 |
0 |
0.000 |
|