| ## |
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 |
114 |
28 |
18619 |
◊ |
A |
x,y,z |
1_555 |
107 |
31 |
7524 |
1150.8 |
-27.8 |
0.002 |
4 |
0 |
1 |
1.000 |
2 |
|
D |
113 |
29 |
19014 |
◊ |
B |
x,y,z |
1_555 |
110 |
33 |
7667 |
1150.1 |
-28.6 |
0.003 |
5 |
0 |
1 |
1.000 |
| Average: |
1150.4 |
-28.2 |
0.002 |
5 |
0 |
1 |
1.000 |
| 2 |
3 |
|
B |
59 |
15 |
7667 |
◊ |
A |
x-1/2,-y-1/2,-z+1 |
4_446 |
65 |
18 |
7524 |
549.7 |
0.7 |
0.922 |
5 |
2 |
0 |
0.000 |
| 3 |
4 |
|
D |
44 |
17 |
19014 |
◊ |
C |
x-1/2,-y-1/2,-z |
4_445 |
46 |
18 |
18619 |
485.5 |
-4.1 |
0.365 |
1 |
1 |
0 |
0.000 |
| 4 |
5 |
|
A |
45 |
14 |
7524 |
◊ |
D |
-x,y-1/2,-z+1/2 |
3_545 |
41 |
10 |
19014 |
482.0 |
-8.2 |
0.152 |
0 |
1 |
0 |
0.182 |
| 5 |
6 |
|
C |
34 |
13 |
18619 |
◊ |
B |
-x,y-1/2,-z+1/2 |
3_545 |
31 |
11 |
7667 |
351.8 |
-7.0 |
0.112 |
0 |
1 |
0 |
0.154 |
| 6 |
7 |
|
[FTT]D:610 |
17 |
1 |
496 |
◊ |
D |
x,y,z |
1_555 |
35 |
16 |
19014 |
274.7 |
0.4 |
0.111 |
0 |
0 |
0 |
0.000 |
8 |
|
[FTT]C:610 |
17 |
1 |
493 |
◊ |
C |
x,y,z |
1_555 |
36 |
17 |
18619 |
261.9 |
1.8 |
0.148 |
0 |
0 |
0 |
0.000 |
| Average: |
268.3 |
1.1 |
0.130 |
0 |
0 |
0 |
0.000 |
| 7 |
9 |
|
[DAO]D:609 |
13 |
1 |
428 |
◊ |
D |
x,y,z |
1_555 |
45 |
22 |
19014 |
273.8 |
4.7 |
0.316 |
1 |
0 |
0 |
0.000 |
10 |
|
[DAO]C:609 |
13 |
1 |
425 |
◊ |
C |
x,y,z |
1_555 |
50 |
22 |
18619 |
272.0 |
4.6 |
0.358 |
1 |
0 |
0 |
0.000 |
| Average: |
272.9 |
4.6 |
0.337 |
1 |
0 |
0 |
0.000 |
| 8 |
11 |
|
[FTT]B:202 |
15 |
1 |
507 |
f |
B |
x,y,z |
1_555 |
34 |
12 |
7667 |
249.1 |
-0.8 |
0.128 |
1 |
0 |
0 |
0.149 |
12 |
|
[FTT]A:202 |
15 |
1 |
509 |
f |
A |
x,y,z |
1_555 |
34 |
12 |
7524 |
232.1 |
-1.4 |
0.108 |
1 |
0 |
0 |
0.149 |
| Average: |
240.6 |
-1.1 |
0.118 |
1 |
0 |
0 |
0.149 |
| 9 |
13 |
|
C |
16 |
4 |
18619 |
x |
C |
-x,y-1/2,-z+1/2 |
3_545 |
27 |
8 |
18619 |
211.0 |
-2.6 |
0.272 |
1 |
0 |
0 |
0.000 |
| 10 |
14 |
|
A |
23 |
5 |
7524 |
◊ |
B |
-x,y-1/2,-z+1/2 |
3_545 |
20 |
4 |
7667 |
180.7 |
-4.0 |
0.326 |
0 |
0 |
0 |
0.087 |
| 11 |
15 |
|
[FTT]D:611 |
14 |
1 |
502 |
◊ |
D |
x,y,z |
1_555 |
24 |
10 |
19014 |
180.2 |
1.5 |
0.163 |
0 |
0 |
0 |
0.000 |
| 12 |
16 |
|
[FTT]C:611 |
14 |
1 |
504 |
◊ |
C |
x,y,z |
1_555 |
24 |
11 |
18619 |
180.2 |
1.4 |
0.150 |
0 |
0 |
0 |
0.000 |
| 13 |
17 |
|
C |
12 |
5 |
18619 |
◊ |
D |
-x,y-1/2,-z+1/2 |
3_545 |
17 |
5 |
19014 |
138.8 |
-0.6 |
0.464 |
1 |
2 |
0 |
0.029 |
| 14 |
18 |
|
A |
16 |
5 |
7524 |
◊ |
C |
-x,y-1/2,-z+1/2 |
3_545 |
16 |
5 |
18619 |
135.5 |
0.7 |
0.754 |
0 |
1 |
0 |
0.000 |
| 15 |
19 |
|
[FTT]D:611 |
11 |
1 |
502 |
f |
B |
x,y,z |
1_555 |
15 |
7 |
7667 |
123.7 |
-2.5 |
0.050 |
0 |
0 |
0 |
0.173 |
| 16 |
20 |
|
[NAG]D:604 |
12 |
1 |
364 |
cf |
D |
x,y,z |
1_555 |
15 |
5 |
19014 |
117.6 |
2.8 |
0.331 |
0 |
0 |
0 |
0.000 |
| 17 |
21 |
|
[FTT]C:611 |
10 |
1 |
504 |
f |
A |
x,y,z |
1_555 |
14 |
6 |
7524 |
117.1 |
-2.5 |
0.051 |
0 |
0 |
0 |
0.199 |
| 18 |
22 |
|
[NAG]D:606 |
11 |
1 |
364 |
cf |
D |
x,y,z |
1_555 |
16 |
7 |
19014 |
115.0 |
2.6 |
0.354 |
0 |
0 |
0 |
0.000 |
| 19 |
23 |
|
[NAG]C:604 |
11 |
1 |
363 |
cf |
C |
x,y,z |
1_555 |
15 |
5 |
18619 |
114.9 |
2.8 |
0.339 |
0 |
0 |
0 |
0.000 |
| 20 |
24 |
|
[NAG]C:606 |
11 |
1 |
359 |
cf |
C |
x,y,z |
1_555 |
15 |
7 |
18619 |
114.0 |
2.6 |
0.343 |
0 |
0 |
0 |
0.000 |
| 21 |
25 |
|
D |
8 |
3 |
19014 |
x |
D |
-x-1,y-1/2,-z+1/2 |
3_445 |
18 |
7 |
19014 |
106.1 |
0.8 |
0.783 |
0 |
0 |
0 |
0.000 |
| 22 |
26 |
|
D |
12 |
5 |
19014 |
◊ |
C |
x-1,y,z |
1_455 |
11 |
4 |
18619 |
91.6 |
0.8 |
0.712 |
0 |
0 |
0 |
0.000 |
| 23 |
27 |
|
D |
12 |
4 |
19014 |
◊ |
A |
x-1/2,-y-1/2,-z+1 |
4_446 |
9 |
3 |
7524 |
90.7 |
-1.2 |
0.430 |
0 |
0 |
0 |
0.000 |
28 |
|
B |
7 |
2 |
7667 |
◊ |
C |
x-1/2,-y-1/2,-z+1 |
4_446 |
12 |
4 |
18619 |
85.8 |
-0.6 |
0.500 |
0 |
0 |
0 |
0.000 |
| Average: |
88.2 |
-0.9 |
0.465 |
0 |
0 |
0 |
0.000 |
| 24 |
29 |
|
[NAG]C:608 |
9 |
1 |
359 |
cf |
C |
x,y,z |
1_555 |
11 |
4 |
18619 |
86.6 |
1.6 |
0.264 |
0 |
0 |
0 |
0.000 |
| 25 |
30 |
|
[FTT]A:202 |
10 |
1 |
509 |
◊ |
D |
-x,y-1/2,-z+1/2 |
3_545 |
10 |
3 |
19014 |
82.4 |
0.5 |
0.144 |
0 |
0 |
0 |
0.000 |
| 26 |
31 |
|
C |
7 |
3 |
18619 |
◊ |
[FTT]B:202 |
-x,y-1/2,-z+1/2 |
3_545 |
8 |
1 |
507 |
82.2 |
1.0 |
0.134 |
0 |
0 |
0 |
0.000 |
| 27 |
32 |
|
[NAG]C:607 |
10 |
1 |
356 |
cf |
[NAG]C:606 |
x,y,z |
1_555 |
9 |
1 |
359 |
80.8 |
2.2 |
0.061 |
1 |
0 |
0 |
0.000 |
| 28 |
33 |
|
[NAG]C:605 |
10 |
1 |
354 |
cf |
[NAG]C:604 |
x,y,z |
1_555 |
6 |
1 |
363 |
77.5 |
2.2 |
0.078 |
0 |
0 |
0 |
0.000 |
| 29 |
34 |
|
[FTT]C:611 |
7 |
1 |
504 |
f |
[FTT]C:610 |
x,y,z |
1_555 |
8 |
1 |
493 |
76.2 |
3.1 |
0.184 |
0 |
0 |
0 |
0.000 |
| 30 |
35 |
|
[NAG]D:605 |
9 |
1 |
364 |
cf |
[NAG]D:604 |
x,y,z |
1_555 |
6 |
1 |
364 |
76.0 |
1.6 |
0.104 |
0 |
0 |
0 |
0.000 |
| 31 |
36 |
|
[FTT]D:611 |
6 |
1 |
502 |
f |
[FTT]D:610 |
x,y,z |
1_555 |
10 |
1 |
496 |
71.1 |
3.2 |
0.194 |
0 |
0 |
0 |
0.000 |
| 32 |
37 |
|
[NAG]D:608 |
8 |
1 |
352 |
cf |
D |
x,y,z |
1_555 |
8 |
4 |
19014 |
71.0 |
2.2 |
0.428 |
0 |
0 |
0 |
0.000 |
| 33 |
38 |
|
[NAG]D:607 |
7 |
1 |
364 |
f |
D |
x,y,z |
1_555 |
11 |
5 |
19014 |
68.2 |
1.0 |
0.326 |
0 |
0 |
0 |
0.000 |
| 34 |
39 |
|
B |
8 |
3 |
7667 |
◊ |
[NAG]A:201 |
x-1/2,-y-1/2,-z+1 |
4_446 |
9 |
1 |
364 |
66.3 |
1.9 |
0.369 |
0 |
0 |
0 |
0.000 |
| 35 |
40 |
|
[NAG]D:607 |
9 |
1 |
364 |
cf |
[NAG]D:606 |
x,y,z |
1_555 |
7 |
1 |
364 |
64.6 |
1.2 |
0.072 |
0 |
0 |
0 |
0.000 |
| 36 |
41 |
|
[NAG]A:201 |
10 |
1 |
364 |
cf |
A |
x,y,z |
1_555 |
5 |
1 |
7524 |
63.0 |
1.6 |
0.270 |
0 |
0 |
0 |
0.000 |
| 37 |
42 |
|
[NAG]B:201 |
5 |
1 |
364 |
◊ |
A |
x-1/2,-y-1/2,-z+1 |
4_446 |
7 |
3 |
7524 |
61.6 |
1.9 |
0.567 |
0 |
0 |
0 |
0.000 |
| 38 |
43 |
|
[NAG]B:201 |
8 |
1 |
364 |
cf |
B |
x,y,z |
1_555 |
5 |
1 |
7667 |
60.9 |
1.9 |
0.353 |
0 |
0 |
0 |
0.000 |
| 39 |
44 |
|
[NAG]C:607 |
8 |
1 |
356 |
f |
C |
x,y,z |
1_555 |
9 |
3 |
18619 |
60.0 |
1.0 |
0.211 |
0 |
0 |
0 |
0.000 |
| 40 |
45 |
|
D |
8 |
4 |
19014 |
◊ |
B |
-x-1,y-1/2,-z+1/2 |
3_445 |
8 |
3 |
7667 |
57.7 |
0.3 |
0.691 |
0 |
0 |
0 |
0.000 |
| 41 |
46 |
|
[FTT]D:610 |
4 |
1 |
496 |
f |
B |
x,y,z |
1_555 |
6 |
3 |
7667 |
55.2 |
-1.4 |
0.130 |
0 |
0 |
0 |
0.121 |
47 |
|
[FTT]C:610 |
4 |
1 |
493 |
f |
A |
x,y,z |
1_555 |
5 |
2 |
7524 |
52.7 |
-1.5 |
0.104 |
0 |
0 |
0 |
0.121 |
| Average: |
54.0 |
-1.5 |
0.117 |
0 |
0 |
0 |
0.121 |
| 42 |
48 |
|
[DAO]C:609 |
4 |
1 |
425 |
cf |
[FTT]C:610 |
x,y,z |
1_555 |
4 |
1 |
493 |
53.8 |
2.8 |
0.323 |
0 |
0 |
0 |
0.000 |
49 |
|
[DAO]D:609 |
3 |
1 |
428 |
cf |
[FTT]D:610 |
x,y,z |
1_555 |
4 |
1 |
496 |
52.6 |
2.6 |
0.354 |
0 |
0 |
0 |
0.000 |
| Average: |
53.2 |
2.7 |
0.339 |
0 |
0 |
0 |
0.000 |
| 43 |
50 |
|
C |
6 |
3 |
18619 |
◊ |
[NAG]D:607 |
-x-1,y-1/2,-z+1/2 |
3_445 |
6 |
1 |
364 |
50.7 |
0.4 |
0.232 |
0 |
0 |
0 |
0.000 |
| 44 |
51 |
|
D |
4 |
3 |
19014 |
◊ |
C |
x,y,z |
1_555 |
6 |
4 |
18619 |
50.7 |
-0.2 |
0.599 |
0 |
0 |
0 |
0.000 |
| 45 |
52 |
|
[NAG]D:605 |
4 |
1 |
364 |
◊ |
[NAG]C:605 |
x-1/2,-y-1/2,-z |
4_445 |
6 |
1 |
354 |
43.2 |
2.4 |
0.263 |
0 |
0 |
0 |
0.000 |
| 46 |
53 |
|
[NAG]D:605 |
3 |
1 |
364 |
◊ |
B |
-x-1/2,-y,z-1/2 |
2_454 |
4 |
1 |
7667 |
37.8 |
0.4 |
0.402 |
0 |
0 |
0 |
0.000 |
| 47 |
54 |
|
[CA]C:602 |
1 |
1 |
85 |
f |
[CA]C:601 |
x,y,z |
1_555 |
1 |
1 |
85 |
10.4 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.100 |
| 48 |
55 |
|
[CA]D:602 |
1 |
1 |
85 |
f |
[CA]D:601 |
x,y,z |
1_555 |
1 |
1 |
85 |
10.1 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.100 |
| 49 |
56 |
|
C |
4 |
2 |
18619 |
◊ |
D |
-x-1,y-1/2,-z+1/2 |
3_445 |
3 |
2 |
19014 |
8.6 |
-0.3 |
0.495 |
0 |
0 |
0 |
0.000 |
| 50 |
57 |
|
[NAG]D:604 |
2 |
1 |
364 |
◊ |
[NAG]C:605 |
x-1/2,-y-1/2,-z |
4_445 |
1 |
1 |
354 |
7.2 |
0.5 |
0.209 |
0 |
0 |
0 |
0.000 |
| 51 |
58 |
|
[FTT]C:611 |
2 |
1 |
504 |
f |
[FTT]A:202 |
x,y,z |
1_555 |
1 |
1 |
509 |
4.8 |
0.1 |
0.228 |
0 |
0 |
0 |
0.000 |
| 52 |
59 |
|
[NAG]D:605 |
1 |
1 |
364 |
f |
D |
x,y,z |
1_555 |
2 |
1 |
19014 |
3.2 |
0.1 |
0.418 |
0 |
0 |
0 |
0.000 |
| 53 |
60 |
|
D |
1 |
1 |
19014 |
◊ |
A |
x-1,y,z |
1_455 |
1 |
1 |
7524 |
1.4 |
0.0 |
0.750 |
0 |
0 |
0 |
0.000 |
|