## |
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 |
350 |
110 |
36924 |
◊ |
A |
x,y,z |
1_555 |
369 |
105 |
45056 |
3192.4 |
-27.1 |
0.084 |
23 |
6 |
0 |
1.000 |
2 |
|
D |
341 |
110 |
36670 |
◊ |
C |
x,y,z |
1_555 |
366 |
105 |
44981 |
3164.5 |
-26.4 |
0.091 |
25 |
6 |
0 |
1.000 |
Average: |
3178.4 |
-26.8 |
0.087 |
24 |
6 |
0 |
1.000 |
2 |
3 |
|
C |
248 |
65 |
44981 |
◊ |
A |
x,y,z |
1_555 |
241 |
65 |
45056 |
2140.3 |
-8.2 |
0.595 |
18 |
9 |
0 |
0.242 |
3 |
4 |
|
C |
114 |
35 |
44981 |
◊ |
A |
-x,-y+1/2,z |
6_555 |
117 |
35 |
45056 |
1169.7 |
-2.9 |
0.623 |
16 |
5 |
0 |
0.149 |
4 |
5 |
|
B |
75 |
26 |
36924 |
◊ |
B |
-x,-y-1/2,z |
6_545 |
75 |
26 |
36924 |
625.2 |
6.3 |
0.922 |
6 |
4 |
0 |
0.000 |
5 |
6 |
|
C |
59 |
23 |
44981 |
◊ |
C |
-x,-y+1/2,z |
6_555 |
55 |
22 |
44981 |
470.0 |
-3.2 |
0.447 |
4 |
0 |
0 |
0.065 |
7 |
|
A |
56 |
23 |
45056 |
◊ |
A |
-x,-y+1/2,z |
6_555 |
56 |
23 |
45056 |
465.5 |
-2.6 |
0.493 |
4 |
0 |
0 |
0.065 |
Average: |
467.7 |
-2.9 |
0.470 |
4 |
0 |
0 |
0.065 |
6 |
8 |
|
D |
37 |
9 |
36670 |
◊ |
D |
x,-y,-z+1/2 |
8_555 |
37 |
9 |
36670 |
290.7 |
-0.4 |
0.588 |
4 |
0 |
0 |
0.000 |
7 |
9 |
|
B |
38 |
9 |
36924 |
◊ |
B |
-x+1/2,y,-z |
7_555 |
38 |
9 |
36924 |
254.2 |
-0.8 |
0.558 |
2 |
0 |
0 |
0.000 |
8 |
10 |
|
D |
29 |
9 |
36670 |
◊ |
D |
-x+1,-y+1/2,z |
6_655 |
28 |
9 |
36670 |
230.6 |
0.2 |
0.634 |
2 |
0 |
0 |
0.000 |
9 |
11 |
|
[NAG]C:3880 |
12 |
1 |
354 |
cf |
C |
x,y,z |
1_555 |
24 |
10 |
44981 |
175.7 |
3.3 |
0.358 |
0 |
0 |
0 |
0.000 |
10 |
12 |
|
[NAG]A:3880 |
13 |
1 |
351 |
cf |
A |
x,y,z |
1_555 |
22 |
10 |
45056 |
167.4 |
3.8 |
0.349 |
1 |
0 |
0 |
0.000 |
11 |
13 |
|
[NAG]C:3373 |
13 |
1 |
362 |
cf |
C |
x,y,z |
1_555 |
24 |
6 |
44981 |
162.0 |
2.4 |
0.260 |
1 |
0 |
0 |
0.000 |
14 |
|
[NAG]A:3373 |
13 |
1 |
361 |
cf |
A |
x,y,z |
1_555 |
25 |
6 |
45056 |
162.0 |
2.4 |
0.270 |
1 |
0 |
0 |
0.000 |
Average: |
162.0 |
2.4 |
0.265 |
1 |
0 |
0 |
0.000 |
12 |
15 |
|
[NAG]B:3094 |
11 |
1 |
359 |
cf |
B |
x,y,z |
1_555 |
19 |
7 |
36924 |
136.3 |
3.9 |
0.452 |
0 |
0 |
0 |
0.000 |
16 |
|
[NAG]D:3094 |
11 |
1 |
362 |
cf |
D |
x,y,z |
1_555 |
19 |
7 |
36670 |
130.6 |
3.6 |
0.430 |
0 |
0 |
0 |
0.000 |
Average: |
133.4 |
3.7 |
0.441 |
0 |
0 |
0 |
0.000 |
13 |
17 |
|
[NAG]A:3716 |
11 |
1 |
351 |
cf |
A |
x,y,z |
1_555 |
16 |
6 |
45056 |
129.7 |
4.0 |
0.409 |
2 |
0 |
0 |
0.000 |
14 |
18 |
|
[NAG]C:3716 |
10 |
1 |
345 |
cf |
C |
x,y,z |
1_555 |
17 |
7 |
44981 |
122.9 |
3.5 |
0.436 |
2 |
0 |
0 |
0.000 |
15 |
19 |
|
[NAG]C:3678 |
9 |
1 |
360 |
cf |
C |
x,y,z |
1_555 |
15 |
5 |
44981 |
106.5 |
2.7 |
0.371 |
1 |
0 |
0 |
0.000 |
20 |
|
[NAG]A:3678 |
9 |
1 |
362 |
cf |
A |
x,y,z |
1_555 |
14 |
5 |
45056 |
106.0 |
2.7 |
0.373 |
1 |
0 |
0 |
0.000 |
Average: |
106.2 |
2.7 |
0.372 |
1 |
0 |
0 |
0.000 |
16 |
21 |
|
[NAG]A:3374 |
9 |
1 |
358 |
f |
A |
x,y,z |
1_555 |
16 |
5 |
45056 |
95.2 |
2.6 |
0.379 |
1 |
0 |
0 |
0.000 |
22 |
|
[NAG]C:3374 |
10 |
1 |
360 |
f |
C |
x,y,z |
1_555 |
17 |
5 |
44981 |
87.1 |
2.3 |
0.285 |
0 |
0 |
0 |
0.000 |
Average: |
91.1 |
2.5 |
0.332 |
1 |
0 |
0 |
0.000 |
17 |
23 |
|
[NAG]A:3042 |
9 |
1 |
360 |
cf |
A |
x,y,z |
1_555 |
9 |
4 |
45056 |
94.5 |
3.0 |
0.451 |
0 |
0 |
0 |
0.000 |
24 |
|
[NAG]C:3042 |
9 |
1 |
363 |
cf |
C |
x,y,z |
1_555 |
9 |
4 |
44981 |
93.8 |
3.0 |
0.452 |
0 |
0 |
0 |
0.000 |
Average: |
94.2 |
3.0 |
0.452 |
0 |
0 |
0 |
0.000 |
18 |
25 |
|
[NAG]C:3374 |
9 |
1 |
360 |
cf |
[NAG]C:3373 |
x,y,z |
1_555 |
8 |
1 |
362 |
87.1 |
3.2 |
0.141 |
0 |
0 |
0 |
0.000 |
26 |
|
[NAG]A:3374 |
9 |
1 |
358 |
cf |
[NAG]A:3373 |
x,y,z |
1_555 |
8 |
1 |
361 |
85.8 |
3.1 |
0.127 |
0 |
0 |
0 |
0.000 |
Average: |
86.5 |
3.1 |
0.134 |
0 |
0 |
0 |
0.000 |
19 |
27 |
|
[NAG]D:3479 |
12 |
1 |
383 |
cf |
D |
x,y,z |
1_555 |
8 |
2 |
36670 |
85.2 |
2.5 |
0.274 |
0 |
0 |
0 |
0.000 |
20 |
28 |
|
[NAG]A:3717 |
10 |
1 |
356 |
cf |
[NAG]A:3716 |
x,y,z |
1_555 |
7 |
1 |
351 |
83.4 |
2.4 |
0.091 |
0 |
0 |
0 |
0.000 |
21 |
29 |
|
[NAG]C:3717 |
10 |
1 |
356 |
cf |
[NAG]C:3716 |
x,y,z |
1_555 |
7 |
1 |
345 |
82.6 |
2.1 |
0.096 |
0 |
0 |
0 |
0.000 |
22 |
30 |
|
[NAG]A:3881 |
10 |
1 |
358 |
cf |
[NAG]A:3880 |
x,y,z |
1_555 |
8 |
1 |
351 |
82.5 |
2.3 |
0.055 |
0 |
0 |
0 |
0.000 |
23 |
31 |
|
[NAG]B:3479 |
11 |
1 |
384 |
cf |
B |
x,y,z |
1_555 |
8 |
3 |
36924 |
78.4 |
1.5 |
0.204 |
0 |
0 |
0 |
0.000 |
24 |
32 |
|
[NAG]C:3043 |
10 |
1 |
359 |
cf |
[NAG]C:3042 |
x,y,z |
1_555 |
5 |
1 |
363 |
75.7 |
1.7 |
0.110 |
0 |
0 |
0 |
0.000 |
33 |
|
[NAG]A:3043 |
10 |
1 |
358 |
cf |
[NAG]A:3042 |
x,y,z |
1_555 |
5 |
1 |
360 |
74.9 |
1.7 |
0.095 |
0 |
0 |
0 |
0.000 |
Average: |
75.3 |
1.7 |
0.102 |
0 |
0 |
0 |
0.000 |
25 |
34 |
|
[MAN]A:3882 |
7 |
1 |
289 |
cf |
[NAG]A:3881 |
x,y,z |
1_555 |
5 |
1 |
358 |
64.5 |
1.5 |
0.134 |
0 |
0 |
0 |
0.000 |
26 |
35 |
|
[MAN]A:3718 |
5 |
1 |
291 |
cf |
[NAG]A:3717 |
x,y,z |
1_555 |
6 |
1 |
356 |
63.3 |
1.4 |
0.122 |
0 |
0 |
0 |
0.000 |
27 |
36 |
|
[MAN]A:3375 |
6 |
1 |
292 |
cf |
[NAG]A:3374 |
x,y,z |
1_555 |
6 |
1 |
358 |
62.0 |
1.9 |
0.137 |
0 |
0 |
0 |
0.000 |
37 |
|
[MAN]C:3375 |
6 |
1 |
290 |
cf |
[NAG]C:3374 |
x,y,z |
1_555 |
7 |
1 |
360 |
61.0 |
1.8 |
0.098 |
0 |
0 |
0 |
0.000 |
Average: |
61.5 |
1.8 |
0.118 |
0 |
0 |
0 |
0.000 |
28 |
38 |
|
[MAN]A:3376 |
8 |
1 |
289 |
cf |
[MAN]A:3375 |
x,y,z |
1_555 |
6 |
1 |
292 |
61.2 |
2.6 |
0.172 |
0 |
0 |
0 |
0.000 |
39 |
|
[MAN]C:3376 |
8 |
1 |
288 |
cf |
[MAN]C:3375 |
x,y,z |
1_555 |
6 |
1 |
290 |
60.7 |
2.6 |
0.183 |
0 |
0 |
0 |
0.000 |
Average: |
60.9 |
2.6 |
0.178 |
0 |
0 |
0 |
0.000 |
29 |
40 |
|
[MAN]C:3377 |
7 |
1 |
290 |
cf |
[MAN]C:3375 |
x,y,z |
1_555 |
6 |
1 |
290 |
61.0 |
2.3 |
0.169 |
0 |
0 |
0 |
0.000 |
41 |
|
[MAN]A:3377 |
6 |
1 |
288 |
cf |
[MAN]A:3375 |
x,y,z |
1_555 |
6 |
1 |
292 |
60.0 |
2.3 |
0.192 |
0 |
0 |
0 |
0.000 |
Average: |
60.5 |
2.3 |
0.181 |
0 |
0 |
0 |
0.000 |
30 |
42 |
|
[MAN]C:3718 |
6 |
1 |
288 |
cf |
[NAG]C:3717 |
x,y,z |
1_555 |
8 |
1 |
356 |
60.9 |
2.0 |
0.109 |
0 |
0 |
0 |
0.000 |
31 |
43 |
|
[MAN]C:3378 |
7 |
1 |
288 |
f |
[MAN]C:3377 |
x,y,z |
1_555 |
6 |
1 |
290 |
59.0 |
1.9 |
0.154 |
0 |
0 |
0 |
0.000 |
32 |
44 |
|
[CA]C:2006 |
1 |
1 |
85 |
f |
C |
x,y,z |
1_555 |
5 |
4 |
44981 |
43.1 |
-12.7 |
0.000 |
0 |
0 |
0 |
0.653 |
45 |
|
[CA]A:2006 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
5 |
4 |
45056 |
43.0 |
-12.7 |
0.000 |
0 |
0 |
0 |
0.653 |
Average: |
43.1 |
-12.7 |
0.000 |
0 |
0 |
0 |
0.653 |
33 |
46 |
|
[CA]B:2002 |
1 |
1 |
85 |
f |
B |
x,y,z |
1_555 |
3 |
3 |
36924 |
42.6 |
-12.7 |
0.000 |
0 |
0 |
0 |
0.652 |
47 |
|
[CA]D:2002 |
1 |
1 |
85 |
f |
D |
x,y,z |
1_555 |
4 |
3 |
36670 |
42.6 |
-12.7 |
0.000 |
0 |
0 |
0 |
0.652 |
Average: |
42.6 |
-12.7 |
0.000 |
0 |
0 |
0 |
0.652 |
34 |
48 |
|
[NAG]A:3881 |
5 |
1 |
358 |
f |
A |
x,y,z |
1_555 |
4 |
4 |
45056 |
41.6 |
-0.1 |
0.111 |
0 |
0 |
0 |
0.007 |
35 |
49 |
|
[MAN]C:3376 |
4 |
1 |
288 |
f |
[NAG]C:3374 |
x,y,z |
1_555 |
6 |
1 |
360 |
30.1 |
1.4 |
0.166 |
0 |
0 |
0 |
0.000 |
50 |
|
[MAN]A:3376 |
4 |
1 |
289 |
f |
[NAG]A:3374 |
x,y,z |
1_555 |
6 |
1 |
358 |
30.1 |
1.4 |
0.164 |
0 |
0 |
0 |
0.000 |
Average: |
30.1 |
1.4 |
0.165 |
0 |
0 |
0 |
0.000 |
36 |
51 |
|
[NAG]A:3716 |
4 |
1 |
351 |
◊ |
B |
x,y,z |
1_555 |
4 |
1 |
36924 |
29.2 |
0.8 |
0.405 |
0 |
0 |
0 |
0.000 |
37 |
52 |
|
[NAG]C:3716 |
2 |
1 |
345 |
◊ |
D |
x,y,z |
1_555 |
4 |
1 |
36670 |
27.1 |
0.8 |
0.570 |
0 |
0 |
0 |
0.000 |
38 |
53 |
|
[MAN]C:3377 |
4 |
1 |
290 |
f |
[NAG]C:3374 |
x,y,z |
1_555 |
2 |
1 |
360 |
26.7 |
0.3 |
0.181 |
0 |
0 |
0 |
0.000 |
54 |
|
[MAN]A:3377 |
4 |
1 |
288 |
f |
[NAG]A:3374 |
x,y,z |
1_555 |
2 |
1 |
358 |
25.5 |
0.2 |
0.181 |
0 |
0 |
0 |
0.000 |
Average: |
26.1 |
0.3 |
0.181 |
0 |
0 |
0 |
0.000 |
39 |
55 |
|
[NAG]A:3042 |
4 |
1 |
360 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
36924 |
22.9 |
-0.3 |
0.152 |
0 |
0 |
0 |
0.014 |
56 |
|
[NAG]C:3042 |
4 |
1 |
363 |
◊ |
D |
x,y,z |
1_555 |
2 |
1 |
36670 |
22.6 |
-0.3 |
0.151 |
0 |
0 |
0 |
0.014 |
Average: |
22.8 |
-0.3 |
0.151 |
0 |
0 |
0 |
0.014 |
40 |
57 |
|
[NAG]D:3479 |
3 |
1 |
383 |
◊ |
C |
x,y,z |
1_555 |
2 |
1 |
44981 |
22.4 |
1.4 |
0.542 |
0 |
0 |
0 |
0.000 |
41 |
58 |
|
[MAN]A:3375 |
5 |
1 |
292 |
f |
A |
x,y,z |
1_555 |
2 |
1 |
45056 |
20.6 |
0.9 |
0.343 |
0 |
0 |
0 |
0.000 |
59 |
|
[MAN]C:3375 |
4 |
1 |
290 |
f |
C |
x,y,z |
1_555 |
1 |
1 |
44981 |
20.2 |
0.9 |
0.423 |
0 |
0 |
0 |
0.000 |
Average: |
20.4 |
0.9 |
0.383 |
0 |
0 |
0 |
0.000 |
42 |
60 |
|
[NAG]B:3479 |
2 |
1 |
384 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
45056 |
6.1 |
0.4 |
0.429 |
0 |
0 |
0 |
0.000 |
43 |
61 |
|
[MAN]C:3377 |
1 |
1 |
290 |
f |
[MAN]C:3376 |
x,y,z |
1_555 |
1 |
1 |
288 |
4.4 |
0.3 |
0.182 |
0 |
0 |
0 |
0.000 |
62 |
|
[MAN]A:3377 |
1 |
1 |
288 |
f |
[MAN]A:3376 |
x,y,z |
1_555 |
1 |
1 |
289 |
4.3 |
0.3 |
0.182 |
0 |
0 |
0 |
0.000 |
Average: |
4.3 |
0.3 |
0.182 |
0 |
0 |
0 |
0.000 |
44 |
63 |
|
[NAG]C:3717 |
2 |
1 |
356 |
◊ |
D |
x,y,z |
1_555 |
1 |
1 |
36670 |
4.0 |
-0.0 |
0.266 |
0 |
0 |
0 |
0.000 |
45 |
64 |
|
[MAN]C:3378 |
1 |
1 |
288 |
f |
[MAN]C:3375 |
x,y,z |
1_555 |
1 |
1 |
290 |
1.4 |
0.1 |
0.182 |
0 |
0 |
0 |
0.000 |
46 |
65 |
|
[MAN]C:3718 |
1 |
1 |
288 |
f |
[NAG]C:3716 |
x,y,z |
1_555 |
1 |
1 |
345 |
1.0 |
0.0 |
0.197 |
0 |
0 |
0 |
0.000 |
|