## |
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 |
|
E |
316 |
78 |
12701 |
◊ |
D |
x,y,z |
1_555 |
262 |
66 |
16119 |
2897.1 |
-37.8 |
0.046 |
41 |
6 |
1 |
1.000 |
2 |
|
H |
319 |
80 |
12737 |
◊ |
G |
x,y,z |
1_555 |
274 |
67 |
16153 |
2891.1 |
-40.6 |
0.034 |
45 |
6 |
1 |
1.000 |
3 |
|
B |
313 |
79 |
12604 |
◊ |
A |
x,y,z |
1_555 |
259 |
67 |
16062 |
2808.8 |
-40.1 |
0.035 |
37 |
6 |
1 |
1.000 |
Average: |
2865.6 |
-39.5 |
0.038 |
41 |
6 |
1 |
1.000 |
2 |
4 |
|
H |
144 |
40 |
12737 |
◊ |
E |
x,y,z |
1_555 |
149 |
38 |
12701 |
1430.5 |
-10.5 |
0.462 |
19 |
26 |
0 |
1.000 |
5 |
|
E |
131 |
39 |
12701 |
◊ |
B |
x,y,z |
1_555 |
144 |
37 |
12604 |
1398.2 |
-8.5 |
0.528 |
20 |
25 |
0 |
1.000 |
6 |
|
H |
148 |
36 |
12737 |
◊ |
B |
x,y,z |
1_555 |
128 |
35 |
12604 |
1371.8 |
-10.0 |
0.421 |
20 |
22 |
0 |
1.000 |
Average: |
1400.1 |
-9.7 |
0.470 |
20 |
24 |
0 |
1.000 |
3 |
7 |
|
G |
52 |
15 |
16153 |
◊ |
D |
x,y,z |
1_555 |
59 |
17 |
16119 |
470.0 |
-0.9 |
0.691 |
5 |
0 |
0 |
0.229 |
8 |
|
D |
54 |
15 |
16119 |
◊ |
A |
x,y,z |
1_555 |
56 |
16 |
16062 |
465.3 |
0.0 |
0.712 |
4 |
0 |
0 |
0.229 |
9 |
|
G |
56 |
16 |
16153 |
◊ |
A |
x,y,z |
1_555 |
50 |
14 |
16062 |
458.9 |
-1.4 |
0.677 |
2 |
0 |
0 |
0.229 |
Average: |
464.7 |
-0.8 |
0.693 |
4 |
0 |
0 |
0.229 |
4 |
10 |
|
B |
42 |
14 |
12604 |
◊ |
G |
x-1/2,-y+1/2,-z+1 |
8_456 |
34 |
12 |
16153 |
357.6 |
-5.9 |
0.117 |
1 |
0 |
0 |
0.201 |
5 |
11 |
|
H |
47 |
11 |
12737 |
◊ |
D |
x,y,z |
1_555 |
31 |
7 |
16119 |
317.9 |
-0.7 |
0.609 |
3 |
1 |
0 |
0.030 |
12 |
|
E |
39 |
11 |
12701 |
◊ |
A |
x,y,z |
1_555 |
34 |
7 |
16062 |
305.3 |
-0.5 |
0.720 |
3 |
1 |
0 |
0.030 |
13 |
|
B |
43 |
12 |
12604 |
◊ |
G |
x,y,z |
1_555 |
32 |
7 |
16153 |
302.9 |
-1.0 |
0.665 |
3 |
1 |
0 |
0.030 |
Average: |
308.7 |
-0.7 |
0.665 |
3 |
1 |
0 |
0.030 |
6 |
14 |
|
D |
41 |
13 |
16119 |
◊ |
D |
x,-y,-z+1 |
4_556 |
41 |
13 |
16119 |
315.1 |
-6.1 |
0.189 |
0 |
0 |
0 |
0.073 |
7 |
15 |
|
A |
31 |
11 |
16062 |
◊ |
A |
-x+1,y,-z+1/2 |
3_655 |
31 |
11 |
16062 |
300.1 |
-5.5 |
0.178 |
2 |
0 |
0 |
0.302 |
16 |
|
G |
31 |
10 |
16153 |
◊ |
D |
-x+1,y,-z+1/2 |
3_655 |
27 |
10 |
16119 |
285.5 |
-4.8 |
0.198 |
2 |
0 |
0 |
0.302 |
Average: |
292.8 |
-5.1 |
0.188 |
2 |
0 |
0 |
0.302 |
8 |
17 |
|
B |
32 |
11 |
12604 |
◊ |
D |
x,y,z |
1_555 |
28 |
13 |
16119 |
269.1 |
-1.7 |
0.546 |
4 |
1 |
0 |
0.047 |
18 |
|
E |
33 |
10 |
12701 |
◊ |
G |
x,y,z |
1_555 |
25 |
13 |
16153 |
263.1 |
-2.0 |
0.530 |
3 |
0 |
0 |
0.047 |
19 |
|
H |
33 |
11 |
12737 |
◊ |
A |
x,y,z |
1_555 |
31 |
15 |
16062 |
262.5 |
-2.0 |
0.535 |
3 |
0 |
0 |
0.047 |
Average: |
264.9 |
-1.9 |
0.537 |
3 |
0 |
0 |
0.047 |
9 |
20 |
|
[SIA]A:409 |
18 |
1 |
434 |
f |
A |
x,y,z |
1_555 |
36 |
14 |
16062 |
243.5 |
-1.5 |
0.431 |
9 |
0 |
0 |
0.363 |
21 |
|
[SIA]D:406 |
19 |
1 |
430 |
f |
D |
x,y,z |
1_555 |
35 |
14 |
16119 |
234.4 |
-1.6 |
0.407 |
8 |
0 |
0 |
0.363 |
Average: |
238.9 |
-1.5 |
0.419 |
9 |
0 |
0 |
0.363 |
10 |
22 |
|
E |
26 |
8 |
12701 |
◊ |
D |
x,-y,-z+1 |
4_556 |
27 |
9 |
16119 |
235.4 |
-3.6 |
0.289 |
0 |
0 |
0 |
0.121 |
11 |
23 |
|
A |
17 |
6 |
16062 |
◊ |
G |
x-1/2,-y+1/2,-z+1 |
8_456 |
19 |
7 |
16153 |
185.0 |
-4.5 |
0.066 |
1 |
0 |
0 |
0.167 |
12 |
24 |
|
G |
22 |
5 |
16153 |
◊ |
A |
-x+1,y,-z+1/2 |
3_655 |
23 |
5 |
16062 |
175.9 |
-1.1 |
0.588 |
1 |
0 |
0 |
0.081 |
25 |
|
D |
19 |
5 |
16119 |
◊ |
D |
-x+1,y,-z+1/2 |
3_655 |
19 |
5 |
16119 |
161.8 |
-1.1 |
0.533 |
2 |
0 |
0 |
0.081 |
Average: |
168.8 |
-1.1 |
0.560 |
2 |
0 |
0 |
0.081 |
13 |
26 |
|
[NAG]G:401 |
12 |
1 |
364 |
cf |
G |
x,y,z |
1_555 |
18 |
8 |
16153 |
138.4 |
3.5 |
0.388 |
0 |
0 |
0 |
0.000 |
14 |
27 |
|
[NAG]E:400 |
12 |
1 |
362 |
cf |
E |
x,y,z |
1_555 |
18 |
5 |
12701 |
130.3 |
2.3 |
0.291 |
0 |
0 |
0 |
0.000 |
28 |
|
[NAG]B:400 |
12 |
1 |
358 |
cf |
B |
x,y,z |
1_555 |
16 |
5 |
12604 |
125.5 |
2.2 |
0.260 |
0 |
0 |
0 |
0.000 |
Average: |
127.9 |
2.3 |
0.276 |
0 |
0 |
0 |
0.000 |
15 |
29 |
|
[NAG]A:401 |
11 |
1 |
358 |
cf |
A |
x,y,z |
1_555 |
18 |
6 |
16062 |
126.5 |
2.4 |
0.311 |
0 |
0 |
0 |
0.000 |
16 |
30 |
|
[NAG]H:400 |
11 |
1 |
364 |
cf |
H |
x,y,z |
1_555 |
16 |
5 |
12737 |
125.6 |
2.3 |
0.309 |
0 |
0 |
0 |
0.000 |
17 |
31 |
|
[NAG]G:406 |
10 |
1 |
360 |
cf |
G |
x,y,z |
1_555 |
17 |
9 |
16153 |
122.8 |
3.6 |
0.499 |
2 |
0 |
0 |
0.000 |
32 |
|
[NAG]A:407 |
11 |
1 |
364 |
cf |
A |
x,y,z |
1_555 |
17 |
9 |
16062 |
119.9 |
3.8 |
0.474 |
3 |
0 |
0 |
0.000 |
Average: |
121.4 |
3.7 |
0.487 |
3 |
0 |
0 |
0.000 |
18 |
33 |
|
[NAG]G:400 |
12 |
1 |
345 |
cf |
G |
x,y,z |
1_555 |
17 |
7 |
16153 |
117.6 |
2.7 |
0.280 |
1 |
0 |
0 |
0.000 |
19 |
34 |
|
[NAG]D:401 |
10 |
1 |
353 |
cf |
D |
x,y,z |
1_555 |
15 |
7 |
16119 |
111.5 |
2.3 |
0.373 |
0 |
0 |
0 |
0.000 |
20 |
35 |
|
H |
11 |
4 |
12737 |
◊ |
H |
-x+1,y,-z+3/2 |
3_656 |
11 |
4 |
12737 |
103.7 |
-1.0 |
0.472 |
2 |
2 |
0 |
0.000 |
21 |
36 |
|
[NAG]G:403 |
11 |
1 |
360 |
◊ |
D |
x,y,z |
1_555 |
17 |
3 |
16119 |
103.5 |
1.2 |
0.209 |
1 |
0 |
0 |
0.000 |
37 |
|
[NAG]D:403 |
11 |
1 |
365 |
◊ |
A |
x,y,z |
1_555 |
15 |
3 |
16062 |
99.5 |
0.8 |
0.166 |
2 |
0 |
0 |
0.000 |
Average: |
101.5 |
1.0 |
0.188 |
2 |
0 |
0 |
0.000 |
22 |
38 |
|
[NAG]D:402 |
9 |
1 |
356 |
cf |
D |
x,y,z |
1_555 |
10 |
3 |
16119 |
98.4 |
2.7 |
0.403 |
2 |
0 |
0 |
0.000 |
39 |
|
[NAG]G:402 |
9 |
1 |
357 |
cf |
G |
x,y,z |
1_555 |
11 |
4 |
16153 |
95.3 |
2.5 |
0.399 |
0 |
0 |
0 |
0.000 |
Average: |
96.8 |
2.6 |
0.401 |
1 |
0 |
0 |
0.000 |
23 |
40 |
|
[NAG]A:404 |
10 |
1 |
362 |
◊ |
G |
x,y,z |
1_555 |
15 |
2 |
16153 |
97.4 |
1.0 |
0.208 |
2 |
0 |
0 |
0.000 |
24 |
41 |
|
[NAG]A:403 |
9 |
1 |
353 |
cf |
A |
x,y,z |
1_555 |
11 |
4 |
16062 |
94.5 |
2.6 |
0.396 |
0 |
0 |
0 |
0.000 |
25 |
42 |
|
[NAG]D:400 |
8 |
1 |
357 |
cf |
D |
x,y,z |
1_555 |
11 |
4 |
16119 |
91.6 |
2.3 |
0.478 |
1 |
0 |
0 |
0.000 |
26 |
43 |
|
[NAG]G:402 |
8 |
1 |
357 |
◊ |
D |
x,y,z |
1_555 |
13 |
6 |
16119 |
90.6 |
1.1 |
0.287 |
1 |
0 |
0 |
0.000 |
44 |
|
[NAG]A:403 |
9 |
1 |
353 |
◊ |
G |
x,y,z |
1_555 |
11 |
6 |
16153 |
86.7 |
0.9 |
0.205 |
1 |
0 |
0 |
0.000 |
45 |
|
[NAG]D:402 |
9 |
1 |
356 |
◊ |
A |
x,y,z |
1_555 |
9 |
5 |
16062 |
82.5 |
0.9 |
0.206 |
1 |
0 |
0 |
0.000 |
Average: |
86.6 |
1.0 |
0.233 |
1 |
0 |
0 |
0.000 |
27 |
46 |
|
[NAG]A:400 |
10 |
1 |
353 |
cf |
A |
x,y,z |
1_555 |
11 |
4 |
16062 |
86.6 |
1.9 |
0.243 |
0 |
0 |
0 |
0.000 |
28 |
47 |
|
[NAG]D:403 |
10 |
1 |
365 |
cf |
[NAG]D:402 |
x,y,z |
1_555 |
8 |
1 |
356 |
80.7 |
2.4 |
0.085 |
1 |
0 |
0 |
0.000 |
48 |
|
[NAG]G:403 |
8 |
1 |
360 |
cf |
[NAG]G:402 |
x,y,z |
1_555 |
6 |
1 |
357 |
75.0 |
1.9 |
0.121 |
1 |
0 |
0 |
0.000 |
49 |
|
[NAG]A:404 |
9 |
1 |
362 |
cf |
[NAG]A:403 |
x,y,z |
1_555 |
6 |
1 |
353 |
73.9 |
1.8 |
0.094 |
0 |
0 |
0 |
0.000 |
Average: |
76.5 |
2.0 |
0.100 |
1 |
0 |
0 |
0.000 |
29 |
50 |
|
[NAG]A:402 |
9 |
1 |
354 |
cf |
[NAG]A:401 |
x,y,z |
1_555 |
7 |
1 |
358 |
74.7 |
1.6 |
0.084 |
1 |
0 |
0 |
0.000 |
30 |
51 |
|
[NAG]A:408 |
8 |
1 |
360 |
cf |
[NAG]A:407 |
x,y,z |
1_555 |
7 |
1 |
364 |
66.9 |
1.2 |
0.085 |
1 |
0 |
0 |
0.000 |
31 |
52 |
|
[BMA]D:404 |
7 |
1 |
295 |
cf |
[NAG]D:403 |
x,y,z |
1_555 |
5 |
1 |
365 |
60.1 |
1.1 |
0.098 |
0 |
0 |
0 |
0.000 |
53 |
|
[BMA]G:404 |
6 |
1 |
292 |
cf |
[NAG]G:403 |
x,y,z |
1_555 |
5 |
1 |
360 |
59.3 |
1.2 |
0.142 |
0 |
0 |
0 |
0.000 |
Average: |
59.7 |
1.2 |
0.120 |
0 |
0 |
0 |
0.000 |
32 |
54 |
|
[BMA]A:405 |
6 |
1 |
295 |
cf |
[NAG]A:404 |
x,y,z |
1_555 |
5 |
1 |
362 |
58.7 |
1.3 |
0.130 |
0 |
0 |
0 |
0.000 |
33 |
55 |
|
[MAN]G:405 |
7 |
1 |
295 |
cf |
[BMA]G:404 |
x,y,z |
1_555 |
4 |
1 |
292 |
58.5 |
2.4 |
0.262 |
0 |
0 |
0 |
0.000 |
34 |
56 |
|
[MAN]D:405 |
5 |
1 |
292 |
cf |
[BMA]D:404 |
x,y,z |
1_555 |
6 |
1 |
295 |
57.0 |
2.6 |
0.247 |
0 |
0 |
0 |
0.000 |
35 |
57 |
|
[MAN]A:406 |
5 |
1 |
289 |
cf |
[BMA]A:405 |
x,y,z |
1_555 |
6 |
1 |
295 |
54.9 |
2.3 |
0.224 |
0 |
0 |
0 |
0.000 |
36 |
58 |
|
[GAL]D:407 |
4 |
1 |
303 |
cf |
[SIA]D:406 |
x,y,z |
1_555 |
8 |
1 |
430 |
54.0 |
2.2 |
0.503 |
0 |
0 |
0 |
0.000 |
37 |
59 |
|
[NAG]A:404 |
4 |
1 |
362 |
f |
A |
x,y,z |
1_555 |
7 |
4 |
16062 |
53.3 |
2.1 |
0.627 |
0 |
0 |
0 |
0.000 |
60 |
|
[NAG]D:403 |
3 |
1 |
365 |
f |
D |
x,y,z |
1_555 |
6 |
4 |
16119 |
51.2 |
1.8 |
0.623 |
0 |
0 |
0 |
0.000 |
61 |
|
[NAG]G:403 |
4 |
1 |
360 |
f |
G |
x,y,z |
1_555 |
6 |
4 |
16153 |
50.0 |
1.9 |
0.583 |
0 |
0 |
0 |
0.000 |
Average: |
51.5 |
1.9 |
0.611 |
0 |
0 |
0 |
0.000 |
38 |
62 |
|
[GAL]D:407 |
5 |
1 |
303 |
f |
D |
x,y,z |
1_555 |
9 |
6 |
16119 |
49.2 |
1.1 |
0.350 |
0 |
0 |
0 |
0.000 |
39 |
63 |
|
[GAL]A:410 |
5 |
1 |
302 |
cf |
[SIA]A:409 |
x,y,z |
1_555 |
7 |
1 |
434 |
48.5 |
1.8 |
0.320 |
0 |
0 |
0 |
0.000 |
40 |
64 |
|
[BMA]G:404 |
6 |
1 |
292 |
◊ |
D |
x,y,z |
1_555 |
6 |
1 |
16119 |
44.8 |
0.7 |
0.262 |
0 |
0 |
0 |
0.000 |
65 |
|
[BMA]A:405 |
5 |
1 |
295 |
◊ |
G |
x,y,z |
1_555 |
6 |
1 |
16153 |
44.0 |
0.5 |
0.260 |
0 |
0 |
0 |
0.000 |
66 |
|
[BMA]D:404 |
5 |
1 |
295 |
◊ |
A |
x,y,z |
1_555 |
6 |
1 |
16062 |
38.1 |
0.5 |
0.294 |
0 |
0 |
0 |
0.000 |
Average: |
42.3 |
0.6 |
0.272 |
0 |
0 |
0 |
0.000 |
41 |
67 |
|
[NAG]A:400 |
2 |
1 |
353 |
◊ |
B |
x,y,z |
1_555 |
6 |
3 |
12604 |
44.1 |
0.6 |
0.525 |
0 |
0 |
0 |
0.000 |
42 |
68 |
|
[NAG]D:400 |
3 |
1 |
357 |
◊ |
E |
x,y,z |
1_555 |
5 |
3 |
12701 |
41.0 |
0.9 |
0.450 |
0 |
0 |
0 |
0.000 |
43 |
69 |
|
[NAG]D:400 |
7 |
1 |
357 |
◊ |
D |
x,-y,-z+1 |
4_556 |
4 |
3 |
16119 |
33.2 |
1.0 |
0.331 |
0 |
0 |
0 |
0.000 |
44 |
70 |
|
[MAN]D:405 |
5 |
1 |
292 |
◊ |
B |
-x+1/2,-y+1/2,z-1/2 |
6_554 |
5 |
1 |
12604 |
33.0 |
1.0 |
0.351 |
0 |
0 |
0 |
0.000 |
45 |
71 |
|
[NAG]G:406 |
2 |
1 |
360 |
◊ |
H |
x,y,z |
1_555 |
3 |
1 |
12737 |
27.8 |
0.8 |
0.489 |
1 |
0 |
0 |
0.000 |
72 |
|
[NAG]A:407 |
2 |
1 |
364 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
12604 |
23.3 |
0.5 |
0.468 |
1 |
0 |
0 |
0.000 |
Average: |
25.6 |
0.7 |
0.478 |
1 |
0 |
0 |
0.000 |
46 |
73 |
|
[GAL]A:410 |
3 |
1 |
302 |
f |
A |
x,y,z |
1_555 |
8 |
4 |
16062 |
27.1 |
0.9 |
0.526 |
0 |
0 |
0 |
0.000 |
47 |
74 |
|
[NAG]A:402 |
4 |
1 |
354 |
f |
A |
x,y,z |
1_555 |
7 |
3 |
16062 |
24.8 |
0.4 |
0.367 |
0 |
0 |
0 |
0.000 |
48 |
75 |
|
[NAG]A:408 |
1 |
1 |
360 |
f |
A |
x,y,z |
1_555 |
1 |
1 |
16062 |
18.9 |
0.9 |
0.530 |
1 |
0 |
0 |
0.000 |
49 |
76 |
|
[MAN]G:405 |
2 |
1 |
295 |
f |
[NAG]G:403 |
x,y,z |
1_555 |
2 |
1 |
360 |
15.4 |
0.5 |
0.236 |
0 |
0 |
0 |
0.000 |
50 |
77 |
|
[MAN]G:405 |
2 |
1 |
295 |
◊ |
D |
x,y,z |
1_555 |
2 |
1 |
16119 |
15.1 |
0.3 |
0.276 |
0 |
0 |
0 |
0.000 |
51 |
78 |
|
[NAG]A:408 |
3 |
1 |
360 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
12604 |
12.3 |
0.4 |
0.420 |
0 |
0 |
0 |
0.000 |
52 |
79 |
|
[MAN]A:406 |
1 |
1 |
289 |
f |
[NAG]A:404 |
x,y,z |
1_555 |
2 |
1 |
362 |
8.9 |
0.1 |
0.230 |
0 |
0 |
0 |
0.000 |
53 |
80 |
|
[MAN]A:406 |
2 |
1 |
289 |
◊ |
G |
x,y,z |
1_555 |
2 |
1 |
16153 |
8.1 |
0.1 |
0.317 |
0 |
0 |
0 |
0.000 |
54 |
81 |
|
[MAN]D:405 |
1 |
1 |
292 |
f |
[NAG]D:403 |
x,y,z |
1_555 |
1 |
1 |
365 |
7.8 |
0.1 |
0.197 |
0 |
0 |
0 |
0.000 |
55 |
82 |
|
[NAG]A:403 |
1 |
1 |
353 |
◊ |
A |
-x+1,y,-z+1/2 |
3_655 |
1 |
1 |
16062 |
1.9 |
0.0 |
0.317 |
0 |
0 |
0 |
0.000 |
83 |
|
[NAG]D:402 |
1 |
1 |
356 |
◊ |
G |
-x+1,y,-z+1/2 |
3_655 |
1 |
1 |
16153 |
0.2 |
0.0 |
0.302 |
0 |
0 |
0 |
0.000 |
Average: |
1.1 |
0.0 |
0.310 |
0 |
0 |
0 |
0.000 |
|