## |
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 |
|
B |
134 |
36 |
12535 |
◊ |
A |
x,y,z |
1_555 |
133 |
34 |
12312 |
1262.4 |
-15.0 |
0.096 |
10 |
0 |
0 |
0.000 |
2 |
|
D |
130 |
33 |
12419 |
◊ |
C |
x,y,z |
1_555 |
130 |
35 |
12558 |
1250.5 |
-15.1 |
0.094 |
10 |
0 |
0 |
0.000 |
Average: |
1256.4 |
-15.1 |
0.095 |
10 |
0 |
0 |
0.000 |
2 |
3 |
|
F |
94 |
21 |
7588 |
◊ |
B |
x,y,z |
1_555 |
97 |
27 |
12535 |
915.9 |
-4.0 |
0.425 |
10 |
8 |
0 |
0.000 |
4 |
|
G |
92 |
21 |
7783 |
◊ |
C |
x,y,z |
1_555 |
95 |
27 |
12558 |
898.0 |
-4.8 |
0.315 |
9 |
6 |
0 |
0.000 |
5 |
|
E |
91 |
21 |
7664 |
◊ |
A |
x,y,z |
1_555 |
99 |
26 |
12312 |
894.0 |
-4.7 |
0.391 |
9 |
6 |
0 |
0.000 |
6 |
|
H |
93 |
21 |
7768 |
◊ |
D |
x,y,z |
1_555 |
98 |
26 |
12419 |
891.9 |
-5.6 |
0.350 |
9 |
9 |
0 |
0.000 |
Average: |
899.9 |
-4.8 |
0.370 |
9 |
7 |
0 |
0.000 |
3 |
7 |
|
B |
72 |
20 |
12535 |
◊ |
A |
x-1,y,z |
1_455 |
66 |
18 |
12312 |
635.3 |
-5.6 |
0.293 |
6 |
0 |
0 |
0.000 |
8 |
|
C |
66 |
18 |
12558 |
◊ |
D |
x-1,y,z |
1_455 |
66 |
18 |
12419 |
615.2 |
-4.3 |
0.386 |
8 |
0 |
0 |
0.000 |
Average: |
625.3 |
-4.9 |
0.340 |
7 |
0 |
0 |
0.000 |
4 |
9 |
|
G |
45 |
11 |
7783 |
◊ |
F |
x,y-1,z |
1_545 |
40 |
10 |
7588 |
360.1 |
-2.0 |
0.488 |
4 |
4 |
0 |
0.000 |
10 |
|
H |
41 |
10 |
7768 |
◊ |
E |
x,y-1,z-1 |
1_544 |
44 |
11 |
7664 |
351.4 |
-1.5 |
0.564 |
5 |
4 |
0 |
0.000 |
11 |
|
G |
37 |
10 |
7783 |
◊ |
F |
x-1,y-1,z |
1_445 |
40 |
11 |
7588 |
340.1 |
-1.4 |
0.537 |
4 |
4 |
0 |
0.000 |
12 |
|
H |
40 |
11 |
7768 |
◊ |
E |
x-1,y-1,z-1 |
1_444 |
38 |
10 |
7664 |
336.7 |
0.1 |
0.687 |
4 |
4 |
0 |
0.000 |
Average: |
347.1 |
-1.2 |
0.569 |
4 |
4 |
0 |
0.000 |
5 |
13 |
|
F |
24 |
10 |
7588 |
◊ |
D |
x,y,z |
1_555 |
23 |
5 |
12419 |
216.0 |
0.8 |
0.669 |
2 |
0 |
0 |
0.000 |
6 |
14 |
|
B |
21 |
7 |
12535 |
◊ |
A |
x-1,y-1,z |
1_445 |
14 |
4 |
12312 |
170.0 |
1.1 |
0.741 |
3 |
1 |
0 |
0.000 |
7 |
15 |
|
[NAG]C:601 |
12 |
1 |
364 |
cf |
C |
x,y,z |
1_555 |
18 |
7 |
12558 |
148.2 |
2.7 |
0.300 |
1 |
0 |
0 |
0.000 |
16 |
|
[NAG]B:601 |
13 |
1 |
362 |
cf |
B |
x,y,z |
1_555 |
17 |
7 |
12535 |
144.0 |
2.7 |
0.246 |
1 |
0 |
0 |
0.000 |
17 |
|
[NAG]A:601 |
13 |
1 |
363 |
cf |
A |
x,y,z |
1_555 |
14 |
6 |
12312 |
133.7 |
2.3 |
0.222 |
1 |
0 |
0 |
0.000 |
18 |
|
[NAG]D:601 |
13 |
1 |
364 |
cf |
D |
x,y,z |
1_555 |
14 |
6 |
12419 |
132.8 |
2.3 |
0.219 |
1 |
0 |
0 |
0.000 |
Average: |
139.7 |
2.5 |
0.247 |
1 |
0 |
0 |
0.000 |
8 |
19 |
|
H |
10 |
4 |
7768 |
◊ |
A |
x,y-1,z-1 |
1_544 |
17 |
8 |
12312 |
142.6 |
-2.1 |
0.177 |
0 |
0 |
0 |
0.000 |
20 |
|
G |
9 |
4 |
7783 |
◊ |
B |
x-1,y-1,z |
1_445 |
17 |
8 |
12535 |
142.4 |
-2.8 |
0.098 |
0 |
0 |
0 |
0.000 |
21 |
|
D |
10 |
6 |
12419 |
◊ |
E |
x-1,y-1,z-1 |
1_444 |
5 |
3 |
7664 |
61.4 |
-0.9 |
0.262 |
0 |
0 |
0 |
0.000 |
22 |
|
C |
4 |
3 |
12558 |
◊ |
F |
x,y-1,z |
1_545 |
4 |
2 |
7588 |
39.5 |
-0.5 |
0.357 |
0 |
0 |
0 |
0.000 |
Average: |
96.5 |
-1.6 |
0.223 |
0 |
0 |
0 |
0.000 |
9 |
23 |
|
D |
13 |
5 |
12419 |
◊ |
C |
x,y-1,z |
1_545 |
15 |
5 |
12558 |
129.8 |
0.3 |
0.645 |
1 |
0 |
0 |
0.000 |
10 |
24 |
|
[NAG]D:602 |
11 |
1 |
364 |
f |
D |
x,y,z |
1_555 |
15 |
6 |
12419 |
127.3 |
1.6 |
0.212 |
1 |
0 |
0 |
0.000 |
25 |
|
[NAG]A:602 |
11 |
1 |
362 |
f |
A |
x,y,z |
1_555 |
16 |
6 |
12312 |
124.7 |
1.6 |
0.212 |
1 |
0 |
0 |
0.000 |
26 |
|
[NAG]C:602 |
11 |
1 |
361 |
f |
C |
x,y,z |
1_555 |
16 |
6 |
12558 |
122.8 |
1.7 |
0.219 |
1 |
0 |
0 |
0.000 |
27 |
|
[NAG]B:602 |
11 |
1 |
361 |
f |
B |
x,y,z |
1_555 |
15 |
6 |
12535 |
117.3 |
1.5 |
0.191 |
1 |
0 |
0 |
0.000 |
Average: |
123.1 |
1.6 |
0.209 |
1 |
0 |
0 |
0.000 |
11 |
28 |
|
A |
14 |
4 |
12312 |
◊ |
B |
x,y-1,z |
1_545 |
12 |
5 |
12535 |
124.7 |
0.8 |
0.592 |
3 |
1 |
0 |
0.000 |
12 |
29 |
|
C |
9 |
2 |
12558 |
x |
C |
x,y-1,z |
1_545 |
13 |
3 |
12558 |
98.1 |
-0.6 |
0.458 |
1 |
0 |
0 |
0.000 |
13 |
30 |
|
F |
16 |
4 |
7588 |
◊ |
C |
x,y,z |
1_555 |
10 |
4 |
12558 |
97.2 |
0.3 |
0.615 |
1 |
2 |
0 |
0.000 |
14 |
31 |
|
[BMA]A:603 |
10 |
1 |
292 |
f |
A |
x,y,z |
1_555 |
14 |
6 |
12312 |
91.8 |
0.8 |
0.186 |
0 |
0 |
0 |
0.000 |
32 |
|
[BMA]B:603 |
10 |
1 |
290 |
f |
B |
x,y,z |
1_555 |
14 |
5 |
12535 |
88.1 |
0.9 |
0.189 |
0 |
0 |
0 |
0.000 |
Average: |
90.0 |
0.8 |
0.187 |
0 |
0 |
0 |
0.000 |
15 |
33 |
|
[BMA]C:603 |
9 |
1 |
292 |
f |
C |
x,y,z |
1_555 |
12 |
4 |
12558 |
84.7 |
1.0 |
0.187 |
0 |
0 |
0 |
0.000 |
16 |
34 |
|
B |
10 |
6 |
12535 |
x |
B |
x,y-1,z |
1_545 |
9 |
3 |
12535 |
82.9 |
2.1 |
0.871 |
1 |
2 |
0 |
0.000 |
17 |
35 |
|
[BMA]D:603 |
10 |
1 |
294 |
f |
D |
x,y,z |
1_555 |
13 |
4 |
12419 |
82.2 |
1.2 |
0.202 |
0 |
0 |
0 |
0.000 |
18 |
36 |
|
[NAG]A:602 |
10 |
1 |
362 |
cf |
[NAG]A:601 |
x,y,z |
1_555 |
6 |
1 |
363 |
73.0 |
2.0 |
0.089 |
0 |
0 |
0 |
0.000 |
37 |
|
[NAG]B:602 |
10 |
1 |
361 |
cf |
[NAG]B:601 |
x,y,z |
1_555 |
6 |
1 |
362 |
72.9 |
2.0 |
0.088 |
0 |
0 |
0 |
0.000 |
38 |
|
[NAG]D:602 |
10 |
1 |
364 |
cf |
[NAG]D:601 |
x,y,z |
1_555 |
6 |
1 |
364 |
72.5 |
1.9 |
0.088 |
0 |
0 |
0 |
0.000 |
39 |
|
[NAG]C:602 |
10 |
1 |
361 |
cf |
[NAG]C:601 |
x,y,z |
1_555 |
6 |
1 |
364 |
72.4 |
1.9 |
0.089 |
0 |
0 |
0 |
0.000 |
Average: |
72.7 |
1.9 |
0.088 |
0 |
0 |
0 |
0.000 |
19 |
40 |
|
[MAN]C:605 |
6 |
1 |
293 |
f |
C |
x,y,z |
1_555 |
6 |
3 |
12558 |
66.2 |
0.9 |
0.304 |
1 |
0 |
0 |
0.000 |
20 |
41 |
|
[MAN]A:604 |
9 |
1 |
292 |
f |
A |
x,y,z |
1_555 |
9 |
6 |
12312 |
62.8 |
-0.2 |
0.167 |
0 |
0 |
0 |
0.000 |
42 |
|
[MAN]B:604 |
9 |
1 |
292 |
f |
B |
x,y,z |
1_555 |
9 |
6 |
12535 |
60.7 |
-0.3 |
0.152 |
0 |
0 |
0 |
0.000 |
Average: |
61.8 |
-0.2 |
0.160 |
0 |
0 |
0 |
0.000 |
21 |
43 |
|
G |
9 |
5 |
7783 |
◊ |
A |
x-1,y,z |
1_455 |
10 |
4 |
12312 |
62.3 |
-0.3 |
0.542 |
0 |
0 |
0 |
0.000 |
22 |
44 |
|
[BMA]D:603 |
6 |
1 |
294 |
cf |
[NAG]D:602 |
x,y,z |
1_555 |
6 |
1 |
364 |
60.5 |
1.4 |
0.122 |
0 |
0 |
0 |
0.000 |
45 |
|
[BMA]A:603 |
7 |
1 |
292 |
cf |
[NAG]A:602 |
x,y,z |
1_555 |
5 |
1 |
362 |
58.8 |
1.1 |
0.104 |
0 |
0 |
0 |
0.000 |
46 |
|
[BMA]B:603 |
7 |
1 |
290 |
cf |
[NAG]B:602 |
x,y,z |
1_555 |
5 |
1 |
361 |
57.9 |
1.1 |
0.106 |
0 |
0 |
0 |
0.000 |
Average: |
59.0 |
1.2 |
0.111 |
0 |
0 |
0 |
0.000 |
23 |
47 |
|
[BMA]C:603 |
5 |
1 |
292 |
cf |
[NAG]C:602 |
x,y,z |
1_555 |
5 |
1 |
361 |
60.3 |
1.2 |
0.134 |
1 |
0 |
0 |
0.000 |
24 |
48 |
|
[MAN]C:605 |
6 |
1 |
293 |
cf |
[BMA]C:603 |
x,y,z |
1_555 |
6 |
1 |
292 |
59.0 |
2.5 |
0.188 |
0 |
0 |
0 |
0.000 |
25 |
49 |
|
[MAN]B:605 |
6 |
1 |
295 |
cf |
[BMA]B:603 |
x,y,z |
1_555 |
5 |
1 |
290 |
58.3 |
2.6 |
0.284 |
0 |
0 |
0 |
0.000 |
26 |
50 |
|
[MAN]D:605 |
6 |
1 |
294 |
cf |
[BMA]D:603 |
x,y,z |
1_555 |
6 |
1 |
294 |
57.6 |
2.4 |
0.199 |
0 |
0 |
0 |
0.000 |
27 |
51 |
|
[MAN]D:604 |
5 |
1 |
295 |
cf |
[BMA]D:603 |
x,y,z |
1_555 |
6 |
1 |
294 |
57.2 |
2.5 |
0.202 |
0 |
0 |
0 |
0.000 |
28 |
52 |
|
[MAN]A:605 |
6 |
1 |
294 |
cf |
[BMA]A:603 |
x,y,z |
1_555 |
6 |
1 |
292 |
57.0 |
2.4 |
0.213 |
0 |
0 |
0 |
0.000 |
29 |
53 |
|
[MAN]C:604 |
5 |
1 |
289 |
cf |
[BMA]C:603 |
x,y,z |
1_555 |
6 |
1 |
292 |
55.5 |
2.7 |
0.228 |
0 |
0 |
0 |
0.000 |
30 |
54 |
|
[MAN]D:605 |
8 |
1 |
294 |
f |
D |
x,y,z |
1_555 |
7 |
2 |
12419 |
51.9 |
0.4 |
0.173 |
0 |
0 |
0 |
0.000 |
31 |
55 |
|
[MAN]B:604 |
4 |
1 |
292 |
cf |
[BMA]B:603 |
x,y,z |
1_555 |
4 |
1 |
290 |
51.5 |
1.8 |
0.311 |
0 |
0 |
0 |
0.000 |
56 |
|
[MAN]A:604 |
4 |
1 |
292 |
cf |
[BMA]A:603 |
x,y,z |
1_555 |
4 |
1 |
292 |
51.3 |
1.8 |
0.319 |
0 |
0 |
0 |
0.000 |
Average: |
51.4 |
1.8 |
0.315 |
0 |
0 |
0 |
0.000 |
32 |
57 |
|
[MAN]B:605 |
7 |
1 |
295 |
f |
B |
x,y,z |
1_555 |
6 |
2 |
12535 |
51.1 |
0.5 |
0.213 |
0 |
0 |
0 |
0.000 |
33 |
58 |
|
[MAN]A:605 |
7 |
1 |
294 |
f |
A |
x,y,z |
1_555 |
5 |
2 |
12312 |
46.3 |
0.5 |
0.194 |
0 |
0 |
0 |
0.000 |
34 |
59 |
|
F |
4 |
1 |
7588 |
◊ |
D |
x-1,y,z |
1_455 |
6 |
2 |
12419 |
35.9 |
0.1 |
0.607 |
0 |
0 |
0 |
0.000 |
35 |
60 |
|
[MAN]D:604 |
4 |
1 |
295 |
f |
D |
x,y,z |
1_555 |
5 |
2 |
12419 |
30.9 |
0.7 |
0.372 |
0 |
0 |
0 |
0.000 |
36 |
61 |
|
[MAN]D:604 |
3 |
1 |
295 |
f |
[NAG]D:602 |
x,y,z |
1_555 |
5 |
1 |
364 |
28.6 |
0.7 |
0.164 |
0 |
0 |
0 |
0.000 |
37 |
62 |
|
[MAN]C:604 |
4 |
1 |
289 |
f |
C |
x,y,z |
1_555 |
2 |
2 |
12558 |
20.1 |
0.3 |
0.219 |
0 |
0 |
0 |
0.000 |
38 |
63 |
|
[MAN]C:604 |
2 |
1 |
289 |
f |
[NAG]C:602 |
x,y,z |
1_555 |
2 |
1 |
361 |
19.0 |
0.7 |
0.232 |
0 |
0 |
0 |
0.000 |
39 |
64 |
|
[MAN]B:605 |
3 |
1 |
295 |
f |
[NAG]B:602 |
x,y,z |
1_555 |
2 |
1 |
361 |
18.1 |
0.7 |
0.228 |
0 |
0 |
0 |
0.000 |
40 |
65 |
|
[MAN]D:605 |
4 |
1 |
294 |
◊ |
[MAN]C:605 |
x,y,z |
1_555 |
2 |
1 |
293 |
17.3 |
0.6 |
0.189 |
0 |
0 |
0 |
0.000 |
41 |
66 |
|
[MAN]B:605 |
2 |
1 |
295 |
◊ |
[MAN]A:605 |
x,y,z |
1_555 |
2 |
1 |
294 |
17.1 |
0.7 |
0.264 |
0 |
0 |
0 |
0.000 |
42 |
67 |
|
C |
1 |
1 |
12558 |
◊ |
D |
x-1,y-1,z |
1_445 |
3 |
1 |
12419 |
11.9 |
0.4 |
0.755 |
0 |
0 |
0 |
0.000 |
43 |
68 |
|
[MAN]D:604 |
3 |
1 |
295 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
12558 |
9.1 |
0.5 |
0.401 |
0 |
0 |
0 |
0.000 |
44 |
69 |
|
[MAN]D:605 |
2 |
1 |
294 |
f |
[NAG]D:602 |
x,y,z |
1_555 |
2 |
1 |
364 |
8.2 |
0.3 |
0.232 |
0 |
0 |
0 |
0.000 |
45 |
70 |
|
[MAN]A:604 |
1 |
1 |
292 |
f |
[NAG]A:602 |
x,y,z |
1_555 |
1 |
1 |
362 |
7.7 |
0.3 |
0.228 |
0 |
0 |
0 |
0.000 |
71 |
|
[MAN]B:604 |
1 |
1 |
292 |
f |
[NAG]B:602 |
x,y,z |
1_555 |
1 |
1 |
361 |
7.4 |
0.3 |
0.161 |
0 |
0 |
0 |
0.000 |
Average: |
7.6 |
0.3 |
0.195 |
0 |
0 |
0 |
0.000 |
46 |
72 |
|
[MAN]C:605 |
2 |
1 |
293 |
f |
[NAG]C:602 |
x,y,z |
1_555 |
2 |
1 |
361 |
3.4 |
0.1 |
0.232 |
0 |
0 |
0 |
0.000 |
47 |
73 |
|
[MAN]A:605 |
1 |
1 |
294 |
f |
[NAG]A:602 |
x,y,z |
1_555 |
1 |
1 |
362 |
1.0 |
0.0 |
0.161 |
0 |
0 |
0 |
0.000 |
|