| ## |
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 |
194 |
61 |
22183 |
◊ |
A |
x,y,z |
1_555 |
214 |
68 |
22037 |
2057.2 |
-14.2 |
0.353 |
17 |
5 |
0 |
1.000 |
2 |
|
F |
213 |
68 |
22183 |
◊ |
D |
x,y,z |
1_555 |
209 |
65 |
21942 |
2042.1 |
-17.7 |
0.264 |
17 |
2 |
0 |
1.000 |
3 |
|
D |
186 |
66 |
21942 |
◊ |
A |
x,y,z |
1_555 |
206 |
66 |
22037 |
2007.5 |
-14.8 |
0.339 |
21 |
4 |
0 |
1.000 |
| Average: |
2035.6 |
-15.6 |
0.319 |
18 |
4 |
0 |
1.000 |
| 2 |
4 |
|
L |
184 |
53 |
11127 |
◊ |
H |
x,y,z |
1_555 |
182 |
54 |
11441 |
1637.5 |
-24.7 |
0.059 |
9 |
0 |
0 |
1.000 |
5 |
|
G |
188 |
53 |
11171 |
◊ |
E |
x,y,z |
1_555 |
175 |
49 |
11518 |
1612.0 |
-24.5 |
0.049 |
12 |
1 |
0 |
1.000 |
6 |
|
C |
176 |
52 |
11064 |
◊ |
B |
x,y,z |
1_555 |
168 |
49 |
11076 |
1602.9 |
-25.2 |
0.037 |
13 |
1 |
0 |
1.000 |
| Average: |
1617.5 |
-24.8 |
0.048 |
11 |
1 |
0 |
1.000 |
| 3 |
7 |
|
D |
86 |
21 |
21942 |
◊ |
E |
x,y,z |
1_555 |
75 |
18 |
11518 |
756.3 |
-6.2 |
0.442 |
14 |
2 |
0 |
0.152 |
8 |
|
A |
87 |
20 |
22037 |
◊ |
B |
x,y,z |
1_555 |
70 |
18 |
11076 |
735.7 |
-5.6 |
0.456 |
12 |
1 |
0 |
0.152 |
| Average: |
746.0 |
-5.9 |
0.449 |
13 |
2 |
0 |
0.152 |
| 4 |
9 |
|
F |
80 |
20 |
22183 |
◊ |
H |
x,y,z |
1_555 |
66 |
18 |
11441 |
695.4 |
-8.5 |
0.238 |
12 |
2 |
0 |
0.135 |
| 5 |
10 |
|
B |
52 |
13 |
11076 |
◊ |
E |
-x-1,y-1/2,-z |
2_445 |
48 |
12 |
11518 |
535.9 |
3.8 |
0.970 |
13 |
2 |
0 |
0.000 |
| 6 |
11 |
|
D |
43 |
19 |
21942 |
◊ |
E |
-x-1,y-1/2,-z-1 |
2_444 |
44 |
14 |
11518 |
437.8 |
-4.7 |
0.302 |
5 |
3 |
0 |
0.000 |
| 7 |
12 |
|
D |
44 |
11 |
21942 |
◊ |
G |
x,y,z |
1_555 |
38 |
12 |
11171 |
393.9 |
-3.4 |
0.363 |
4 |
2 |
0 |
0.035 |
| 8 |
13 |
|
F |
41 |
10 |
22183 |
◊ |
L |
x,y,z |
1_555 |
39 |
12 |
11127 |
391.4 |
-2.6 |
0.449 |
4 |
2 |
0 |
0.045 |
| 9 |
14 |
|
A |
41 |
10 |
22037 |
◊ |
C |
x,y,z |
1_555 |
40 |
13 |
11064 |
380.4 |
-1.6 |
0.546 |
6 |
3 |
0 |
0.030 |
| 10 |
15 |
|
L |
24 |
9 |
11127 |
◊ |
C |
-x-1,y-1/2,-z |
2_445 |
25 |
9 |
11064 |
218.1 |
0.8 |
0.745 |
4 |
2 |
0 |
0.000 |
| 11 |
16 |
|
H |
21 |
11 |
11441 |
◊ |
A |
-x-1,y-1/2,-z-1 |
2_444 |
23 |
8 |
22037 |
209.1 |
1.8 |
0.860 |
3 |
2 |
0 |
0.000 |
| 12 |
17 |
|
B |
24 |
9 |
11076 |
◊ |
G |
-x-1,y-1/2,-z |
2_445 |
19 |
4 |
11171 |
201.8 |
-2.8 |
0.317 |
1 |
0 |
0 |
0.000 |
18 |
|
C |
18 |
4 |
11064 |
◊ |
E |
-x-1,y-1/2,-z |
2_445 |
21 |
8 |
11518 |
199.7 |
-2.5 |
0.332 |
1 |
0 |
0 |
0.000 |
| Average: |
200.7 |
-2.7 |
0.325 |
1 |
0 |
0 |
0.000 |
| 13 |
19 |
|
H |
25 |
10 |
11441 |
◊ |
F |
x-1,y,z |
1_455 |
18 |
6 |
22183 |
195.7 |
-1.0 |
0.629 |
3 |
2 |
0 |
0.000 |
| 14 |
20 |
|
H |
20 |
7 |
11441 |
◊ |
C |
-x-1,y-1/2,-z |
2_445 |
15 |
6 |
11064 |
154.7 |
-1.6 |
0.450 |
1 |
0 |
0 |
0.000 |
| 15 |
21 |
|
[NAG]F:602 |
10 |
1 |
364 |
◊ |
H |
x,y,z |
1_555 |
16 |
8 |
11441 |
127.4 |
2.6 |
0.440 |
2 |
0 |
0 |
0.000 |
| 16 |
22 |
|
[MAN]F:611 |
10 |
1 |
290 |
◊ |
F |
x-1,y,z |
1_455 |
20 |
7 |
22183 |
124.6 |
1.1 |
0.210 |
2 |
0 |
0 |
0.000 |
| 17 |
23 |
|
[MAN]F:609 |
10 |
1 |
293 |
◊ |
F |
x-1,y,z |
1_455 |
15 |
6 |
22183 |
103.5 |
2.2 |
0.317 |
2 |
0 |
0 |
0.000 |
| 18 |
24 |
|
F |
9 |
4 |
22183 |
◊ |
G |
x,y,z |
1_555 |
12 |
6 |
11171 |
100.2 |
-0.4 |
0.547 |
0 |
0 |
0 |
0.005 |
25 |
|
D |
4 |
1 |
21942 |
◊ |
C |
x,y,z |
1_555 |
4 |
3 |
11064 |
28.2 |
0.1 |
0.643 |
1 |
0 |
0 |
0.005 |
| Average: |
64.2 |
-0.2 |
0.595 |
1 |
0 |
0 |
0.005 |
| 19 |
26 |
|
G |
10 |
5 |
11171 |
◊ |
F |
x-1,y,z |
1_455 |
8 |
2 |
22183 |
98.3 |
1.8 |
0.806 |
1 |
3 |
0 |
0.000 |
| 20 |
27 |
|
[NAG]F:601 |
9 |
1 |
364 |
cf |
F |
x,y,z |
1_555 |
9 |
3 |
22183 |
96.2 |
2.1 |
0.363 |
0 |
0 |
0 |
0.000 |
| 21 |
28 |
|
[CL]F:612 |
1 |
1 |
125 |
f |
F |
x,y,z |
1_555 |
16 |
8 |
22183 |
88.5 |
-11.9 |
0.000 |
0 |
0 |
0 |
0.195 |
| 22 |
29 |
|
[MAN]F:607 |
9 |
1 |
292 |
◊ |
F |
x-1,y,z |
1_455 |
18 |
5 |
22183 |
87.3 |
1.2 |
0.288 |
0 |
0 |
0 |
0.000 |
| 23 |
30 |
|
[MAN]F:610 |
7 |
1 |
295 |
◊ |
H |
x,y,z |
1_555 |
18 |
8 |
11441 |
81.3 |
1.1 |
0.364 |
3 |
0 |
0 |
0.002 |
| 24 |
31 |
|
[BMA]F:603 |
9 |
1 |
289 |
◊ |
H |
x,y,z |
1_555 |
11 |
4 |
11441 |
68.2 |
0.6 |
0.245 |
1 |
0 |
0 |
0.000 |
| 25 |
32 |
|
[NAG]F:602 |
10 |
1 |
364 |
cf |
[NAG]F:601 |
x,y,z |
1_555 |
8 |
1 |
364 |
66.1 |
0.9 |
0.052 |
0 |
0 |
0 |
0.000 |
| 26 |
33 |
|
[MAN]F:605 |
5 |
1 |
290 |
◊ |
H |
x,y,z |
1_555 |
9 |
4 |
11441 |
64.2 |
1.2 |
0.432 |
1 |
0 |
0 |
0.000 |
| 27 |
34 |
|
[MAN]F:610 |
7 |
1 |
295 |
◊ |
F |
x-1,y,z |
1_455 |
10 |
3 |
22183 |
63.3 |
0.3 |
0.235 |
0 |
0 |
0 |
0.000 |
| 28 |
35 |
|
A |
5 |
2 |
22037 |
◊ |
L |
x,y,z |
1_555 |
9 |
4 |
11127 |
62.7 |
-0.1 |
0.622 |
2 |
0 |
0 |
0.009 |
| 29 |
36 |
|
[MAN]F:606 |
6 |
1 |
293 |
cf |
[MAN]F:605 |
x,y,z |
1_555 |
6 |
1 |
290 |
59.1 |
2.7 |
0.195 |
0 |
0 |
0 |
0.000 |
| 30 |
37 |
|
[MAN]F:609 |
6 |
1 |
293 |
cf |
[MAN]F:608 |
x,y,z |
1_555 |
5 |
1 |
291 |
58.4 |
2.8 |
0.259 |
0 |
0 |
0 |
0.000 |
| 31 |
38 |
|
[MAN]F:605 |
5 |
1 |
290 |
cf |
[MAN]F:604 |
x,y,z |
1_555 |
5 |
1 |
292 |
56.8 |
2.7 |
0.290 |
0 |
0 |
0 |
0.000 |
| 32 |
39 |
|
[CL]A:601 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
10 |
5 |
22037 |
56.4 |
-7.4 |
0.000 |
0 |
0 |
0 |
0.121 |
| 33 |
40 |
|
[MAN]F:608 |
6 |
1 |
291 |
◊ |
F |
x-1,y,z |
1_455 |
9 |
4 |
22183 |
54.1 |
1.1 |
0.322 |
0 |
0 |
0 |
0.000 |
| 34 |
41 |
|
[NAG]F:601 |
5 |
1 |
364 |
◊ |
H |
x,y,z |
1_555 |
6 |
2 |
11441 |
52.4 |
1.0 |
0.354 |
0 |
0 |
0 |
0.000 |
| 35 |
42 |
|
[MAN]F:604 |
7 |
1 |
292 |
cf |
[BMA]F:603 |
x,y,z |
1_555 |
5 |
1 |
289 |
50.8 |
2.4 |
0.233 |
0 |
0 |
0 |
0.000 |
| 36 |
43 |
|
[MAN]F:608 |
7 |
1 |
291 |
cf |
[MAN]F:607 |
x,y,z |
1_555 |
6 |
1 |
292 |
49.9 |
2.1 |
0.150 |
0 |
0 |
0 |
0.000 |
| 37 |
44 |
|
[BMA]F:603 |
5 |
1 |
289 |
cf |
[NAG]F:602 |
x,y,z |
1_555 |
5 |
1 |
364 |
49.3 |
1.3 |
0.194 |
0 |
0 |
0 |
0.000 |
| 38 |
45 |
|
[MAN]F:611 |
6 |
1 |
290 |
cf |
[MAN]F:610 |
x,y,z |
1_555 |
5 |
1 |
295 |
48.9 |
2.4 |
0.279 |
0 |
0 |
0 |
0.000 |
| 39 |
46 |
|
[MAN]F:607 |
7 |
1 |
292 |
cf |
[BMA]F:603 |
x,y,z |
1_555 |
5 |
1 |
289 |
48.7 |
2.1 |
0.238 |
2 |
0 |
0 |
0.000 |
| 40 |
47 |
|
G |
8 |
4 |
11171 |
◊ |
A |
x-1,y,z |
1_455 |
5 |
3 |
22037 |
46.8 |
-0.9 |
0.324 |
0 |
0 |
0 |
0.000 |
| 41 |
48 |
|
[MAN]F:610 |
6 |
1 |
295 |
cf |
[MAN]F:607 |
x,y,z |
1_555 |
4 |
1 |
292 |
44.1 |
1.9 |
0.295 |
0 |
0 |
0 |
0.000 |
| 42 |
49 |
|
[MAN]F:606 |
4 |
1 |
293 |
◊ |
H |
x,y,z |
1_555 |
7 |
3 |
11441 |
41.5 |
0.1 |
0.270 |
0 |
0 |
0 |
0.000 |
| 43 |
50 |
|
[MAN]F:604 |
5 |
1 |
292 |
f |
[NAG]F:602 |
x,y,z |
1_555 |
6 |
1 |
364 |
31.8 |
1.3 |
0.157 |
0 |
0 |
0 |
0.000 |
| 44 |
51 |
|
[MAN]F:611 |
4 |
1 |
290 |
f |
[MAN]F:606 |
x,y,z |
1_555 |
2 |
1 |
293 |
31.3 |
1.3 |
0.272 |
0 |
0 |
0 |
0.000 |
| 45 |
52 |
|
[MAN]F:606 |
4 |
1 |
293 |
f |
[MAN]F:604 |
x,y,z |
1_555 |
3 |
1 |
292 |
30.3 |
1.4 |
0.266 |
0 |
0 |
0 |
0.000 |
| 46 |
53 |
|
[MAN]F:604 |
4 |
1 |
292 |
◊ |
H |
x,y,z |
1_555 |
3 |
1 |
11441 |
29.7 |
1.0 |
0.380 |
0 |
0 |
0 |
0.000 |
| 47 |
54 |
|
[MAN]F:610 |
4 |
1 |
295 |
f |
[MAN]F:606 |
x,y,z |
1_555 |
2 |
1 |
293 |
29.5 |
1.1 |
0.240 |
1 |
0 |
0 |
0.000 |
| 48 |
55 |
|
[MAN]F:609 |
3 |
1 |
293 |
f |
[MAN]F:607 |
x,y,z |
1_555 |
4 |
1 |
292 |
27.3 |
0.2 |
0.135 |
0 |
0 |
0 |
0.000 |
| 49 |
56 |
|
[BMA]F:603 |
3 |
1 |
289 |
◊ |
F |
x-1,y,z |
1_455 |
3 |
1 |
22183 |
27.1 |
0.3 |
0.324 |
0 |
0 |
0 |
0.000 |
| 50 |
57 |
|
[MAN]F:610 |
7 |
1 |
295 |
f |
[BMA]F:603 |
x,y,z |
1_555 |
3 |
1 |
289 |
26.8 |
0.5 |
0.097 |
0 |
0 |
0 |
0.000 |
| 51 |
58 |
|
[MAN]F:611 |
5 |
1 |
290 |
f |
[MAN]F:607 |
x,y,z |
1_555 |
3 |
1 |
292 |
26.7 |
1.3 |
0.202 |
0 |
0 |
0 |
0.000 |
| 52 |
59 |
|
[MAN]F:609 |
2 |
1 |
293 |
f |
[MAN]F:604 |
x,y,z |
1_555 |
3 |
1 |
292 |
20.9 |
0.4 |
0.189 |
0 |
0 |
0 |
0.000 |
| 53 |
60 |
|
H |
6 |
2 |
11441 |
◊ |
A |
x-1,y,z |
1_455 |
3 |
1 |
22037 |
18.9 |
-0.0 |
0.648 |
0 |
0 |
0 |
0.000 |
| 54 |
61 |
|
[MAN]F:608 |
3 |
1 |
291 |
f |
[BMA]F:603 |
x,y,z |
1_555 |
3 |
1 |
289 |
17.9 |
0.6 |
0.223 |
0 |
0 |
0 |
0.000 |
| 55 |
62 |
|
[MAN]F:607 |
2 |
1 |
292 |
◊ |
H |
x,y,z |
1_555 |
2 |
2 |
11441 |
14.1 |
0.3 |
0.407 |
0 |
0 |
0 |
0.000 |
| 56 |
63 |
|
[MAN]F:605 |
1 |
1 |
290 |
f |
[BMA]F:603 |
x,y,z |
1_555 |
2 |
1 |
289 |
12.4 |
0.6 |
0.439 |
0 |
0 |
0 |
0.000 |
| 57 |
64 |
|
F |
1 |
1 |
22183 |
◊ |
A |
-x,y-1/2,-z-1 |
2_544 |
2 |
2 |
22037 |
11.3 |
0.3 |
0.576 |
0 |
0 |
0 |
0.000 |
| 58 |
65 |
|
[MAN]F:608 |
1 |
1 |
291 |
f |
[NAG]F:602 |
x,y,z |
1_555 |
2 |
1 |
364 |
7.4 |
0.2 |
0.193 |
0 |
0 |
0 |
0.000 |
| 59 |
66 |
|
[MAN]F:604 |
1 |
1 |
292 |
f |
[NAG]F:601 |
x,y,z |
1_555 |
1 |
1 |
364 |
2.6 |
0.1 |
0.161 |
0 |
0 |
0 |
0.000 |
| 60 |
67 |
|
[MAN]F:606 |
1 |
1 |
293 |
f |
[BMA]F:603 |
x,y,z |
1_555 |
1 |
1 |
289 |
2.4 |
-0.0 |
0.182 |
0 |
0 |
0 |
0.000 |
| 61 |
68 |
|
[MAN]F:609 |
1 |
1 |
293 |
f |
[BMA]F:603 |
x,y,z |
1_555 |
1 |
1 |
289 |
1.9 |
0.0 |
0.182 |
0 |
0 |
0 |
0.000 |
| 62 |
69 |
|
[MAN]F:607 |
1 |
1 |
292 |
f |
[MAN]F:606 |
x,y,z |
1_555 |
1 |
1 |
293 |
0.9 |
0.0 |
0.182 |
0 |
0 |
0 |
0.000 |
| 63 |
70 |
|
A |
1 |
1 |
22037 |
◊ |
C |
x,y,z-1 |
1_554 |
1 |
1 |
11064 |
0.6 |
0.0 |
0.684 |
0 |
0 |
0 |
0.000 |
| 64 |
71 |
|
[MAN]F:611 |
1 |
1 |
290 |
◊ |
H |
x,y,z |
1_555 |
1 |
1 |
11441 |
0.2 |
0.0 |
0.340 |
0 |
0 |
0 |
0.000 |
|