| ## |
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 |
313 |
80 |
12686 |
◊ |
D |
x,y,z |
1_555 |
264 |
66 |
15997 |
2856.6 |
-38.3 |
0.042 |
42 |
6 |
1 |
1.000 |
2 |
|
H |
308 |
78 |
12723 |
◊ |
G |
x,y,z |
1_555 |
273 |
65 |
16098 |
2849.3 |
-41.1 |
0.029 |
40 |
7 |
1 |
1.000 |
3 |
|
B |
310 |
79 |
12573 |
◊ |
A |
x,y,z |
1_555 |
258 |
66 |
16079 |
2777.8 |
-41.0 |
0.029 |
34 |
7 |
1 |
1.000 |
| Average: |
2827.9 |
-40.1 |
0.034 |
39 |
7 |
1 |
1.000 |
| 2 |
4 |
|
H |
130 |
41 |
12723 |
◊ |
E |
x,y,z |
1_555 |
153 |
38 |
12686 |
1389.7 |
-9.7 |
0.484 |
19 |
23 |
0 |
1.000 |
5 |
|
E |
140 |
41 |
12686 |
◊ |
B |
x,y,z |
1_555 |
148 |
37 |
12573 |
1367.2 |
-8.0 |
0.570 |
20 |
23 |
0 |
1.000 |
6 |
|
H |
145 |
35 |
12723 |
◊ |
B |
x,y,z |
1_555 |
124 |
36 |
12573 |
1347.3 |
-9.3 |
0.447 |
17 |
21 |
0 |
1.000 |
| Average: |
1368.1 |
-9.0 |
0.500 |
19 |
22 |
0 |
1.000 |
| 3 |
7 |
|
G |
49 |
14 |
16098 |
◊ |
D |
x,y,z |
1_555 |
52 |
16 |
15997 |
462.2 |
0.4 |
0.772 |
3 |
0 |
0 |
0.018 |
8 |
|
G |
53 |
14 |
16098 |
◊ |
A |
x,y,z |
1_555 |
51 |
14 |
16079 |
458.6 |
-1.2 |
0.708 |
1 |
0 |
0 |
0.018 |
9 |
|
D |
47 |
14 |
15997 |
◊ |
A |
x,y,z |
1_555 |
54 |
15 |
16079 |
458.1 |
-0.0 |
0.694 |
3 |
0 |
0 |
0.018 |
| Average: |
459.6 |
-0.3 |
0.724 |
2 |
0 |
0 |
0.018 |
| 4 |
10 |
|
D |
51 |
17 |
15997 |
◊ |
D |
x,-y,-z+1 |
4_556 |
51 |
17 |
15997 |
379.7 |
-6.4 |
0.248 |
0 |
0 |
0 |
0.014 |
| 5 |
11 |
|
B |
41 |
15 |
12573 |
◊ |
G |
x-1/2,-y+1/2,-z+1 |
8_456 |
34 |
13 |
16098 |
350.5 |
-5.3 |
0.197 |
1 |
0 |
0 |
0.128 |
| 6 |
12 |
|
B |
44 |
12 |
12573 |
◊ |
G |
x,y,z |
1_555 |
30 |
7 |
16098 |
317.7 |
-0.5 |
0.705 |
2 |
2 |
0 |
0.026 |
13 |
|
H |
44 |
11 |
12723 |
◊ |
D |
x,y,z |
1_555 |
34 |
7 |
15997 |
311.5 |
-0.2 |
0.661 |
4 |
1 |
0 |
0.026 |
14 |
|
E |
39 |
11 |
12686 |
◊ |
A |
x,y,z |
1_555 |
32 |
7 |
16079 |
294.4 |
-0.6 |
0.703 |
2 |
1 |
0 |
0.026 |
| Average: |
307.9 |
-0.5 |
0.690 |
3 |
1 |
0 |
0.026 |
| 7 |
15 |
|
A |
29 |
10 |
16079 |
◊ |
A |
-x+1,y,-z+1/2 |
3_655 |
29 |
10 |
16079 |
278.3 |
-5.7 |
0.141 |
2 |
0 |
0 |
0.130 |
16 |
|
G |
30 |
10 |
16098 |
◊ |
D |
-x+1,y,-z+1/2 |
3_655 |
28 |
10 |
15997 |
278.1 |
-5.0 |
0.187 |
2 |
0 |
0 |
0.130 |
| Average: |
278.2 |
-5.3 |
0.164 |
2 |
0 |
0 |
0.130 |
| 8 |
17 |
|
E |
30 |
10 |
12686 |
◊ |
G |
x,y,z |
1_555 |
24 |
12 |
16098 |
273.0 |
-1.5 |
0.566 |
3 |
0 |
0 |
0.045 |
18 |
|
B |
34 |
10 |
12573 |
◊ |
D |
x,y,z |
1_555 |
28 |
12 |
15997 |
265.5 |
-1.8 |
0.564 |
3 |
1 |
0 |
0.045 |
19 |
|
H |
30 |
10 |
12723 |
◊ |
A |
x,y,z |
1_555 |
30 |
14 |
16079 |
253.0 |
-1.9 |
0.531 |
4 |
0 |
0 |
0.045 |
| Average: |
263.8 |
-1.7 |
0.554 |
3 |
0 |
0 |
0.045 |
| 9 |
20 |
|
E |
26 |
9 |
12686 |
◊ |
D |
x,-y,-z+1 |
4_556 |
34 |
11 |
15997 |
271.8 |
-3.4 |
0.346 |
0 |
0 |
0 |
0.015 |
| 10 |
21 |
|
D |
21 |
6 |
15997 |
◊ |
D |
-x+1,y,-z+1/2 |
3_655 |
21 |
6 |
15997 |
178.0 |
-0.7 |
0.612 |
2 |
0 |
0 |
0.000 |
22 |
|
G |
18 |
5 |
16098 |
◊ |
A |
-x+1,y,-z+1/2 |
3_655 |
18 |
5 |
16079 |
163.0 |
-1.0 |
0.576 |
2 |
0 |
0 |
0.000 |
| Average: |
170.5 |
-0.8 |
0.594 |
2 |
0 |
0 |
0.000 |
| 11 |
23 |
|
A |
21 |
7 |
16079 |
◊ |
G |
x-1/2,-y+1/2,-z+1 |
8_456 |
19 |
7 |
16098 |
175.4 |
-4.3 |
0.119 |
0 |
0 |
0 |
0.000 |
| 12 |
24 |
|
[NDG]G:334 |
13 |
1 |
369 |
f |
G |
x,y,z |
1_555 |
19 |
7 |
16098 |
145.2 |
3.6 |
0.315 |
1 |
0 |
0 |
0.000 |
| 13 |
25 |
|
[NAG]H:341 |
12 |
1 |
363 |
f |
H |
x,y,z |
1_555 |
16 |
6 |
12723 |
131.1 |
2.2 |
0.283 |
1 |
0 |
0 |
0.000 |
| 14 |
26 |
|
[NDG]A:331 |
13 |
1 |
359 |
f |
A |
x,y,z |
1_555 |
17 |
6 |
16079 |
126.9 |
3.3 |
0.290 |
2 |
0 |
0 |
0.000 |
| 15 |
27 |
|
[NDG]G:333 |
12 |
1 |
358 |
f |
G |
x,y,z |
1_555 |
19 |
8 |
16098 |
126.8 |
3.2 |
0.338 |
3 |
0 |
0 |
0.000 |
| 16 |
28 |
|
[NDG]B:223 |
11 |
1 |
367 |
f |
B |
x,y,z |
1_555 |
15 |
5 |
12573 |
124.5 |
2.4 |
0.309 |
3 |
0 |
0 |
0.000 |
29 |
|
[NDG]E:241 |
11 |
1 |
371 |
f |
E |
x,y,z |
1_555 |
18 |
5 |
12686 |
120.8 |
2.0 |
0.269 |
1 |
0 |
0 |
0.000 |
| Average: |
122.6 |
2.2 |
0.289 |
2 |
0 |
0 |
0.000 |
| 17 |
30 |
|
[NDG]A:334 |
11 |
1 |
372 |
◊ |
A |
x,y,z |
1_555 |
18 |
9 |
16079 |
123.7 |
4.0 |
0.436 |
2 |
0 |
0 |
0.000 |
31 |
|
[NDG]G:336 |
9 |
1 |
366 |
◊ |
G |
x,y,z |
1_555 |
15 |
8 |
16098 |
116.7 |
3.6 |
0.543 |
3 |
0 |
0 |
0.000 |
| Average: |
120.2 |
3.8 |
0.489 |
3 |
0 |
0 |
0.000 |
| 18 |
32 |
|
[NDG]D:333 |
10 |
1 |
367 |
f |
D |
x,y,z |
1_555 |
15 |
3 |
15997 |
105.1 |
1.5 |
0.234 |
1 |
0 |
0 |
0.000 |
33 |
|
[NDG]G:330 |
10 |
1 |
368 |
f |
G |
x,y,z |
1_555 |
18 |
3 |
16098 |
103.7 |
1.3 |
0.241 |
2 |
0 |
0 |
0.000 |
| Average: |
104.4 |
1.4 |
0.238 |
2 |
0 |
0 |
0.000 |
| 19 |
34 |
|
[NAG]G:335 |
10 |
1 |
366 |
◊ |
D |
x,y,z |
1_555 |
15 |
6 |
15997 |
97.8 |
0.6 |
0.176 |
1 |
0 |
0 |
0.000 |
| 20 |
35 |
|
[NAG]A:335 |
12 |
1 |
374 |
f |
A |
x,y,z |
1_555 |
15 |
3 |
16079 |
97.5 |
0.5 |
0.137 |
1 |
0 |
0 |
0.000 |
| 21 |
36 |
|
[NAG]D:331 |
9 |
1 |
364 |
f |
D |
x,y,z |
1_555 |
17 |
7 |
15997 |
94.0 |
2.2 |
0.347 |
1 |
0 |
0 |
0.000 |
| 22 |
37 |
|
[NAG]A:333 |
9 |
1 |
364 |
◊ |
A |
x,y,z |
1_555 |
10 |
4 |
16079 |
90.7 |
2.5 |
0.423 |
1 |
0 |
0 |
0.000 |
| 23 |
38 |
|
[NAG]A:333 |
10 |
1 |
364 |
f |
G |
x,y,z |
1_555 |
14 |
6 |
16098 |
89.1 |
0.1 |
0.140 |
1 |
0 |
0 |
0.008 |
| 24 |
39 |
|
[NDG]D:332 |
8 |
1 |
364 |
◊ |
D |
x,y,z |
1_555 |
9 |
3 |
15997 |
87.3 |
2.7 |
0.471 |
0 |
0 |
0 |
0.000 |
| 25 |
40 |
|
[NAG]G:335 |
8 |
1 |
366 |
◊ |
G |
x,y,z |
1_555 |
11 |
3 |
16098 |
86.0 |
2.3 |
0.437 |
0 |
0 |
0 |
0.000 |
| 26 |
41 |
|
[NAG]A:330 |
10 |
1 |
366 |
◊ |
A |
x,y,z |
1_555 |
11 |
4 |
16079 |
83.1 |
1.4 |
0.206 |
2 |
0 |
0 |
0.000 |
| 27 |
42 |
|
[NDG]D:332 |
7 |
1 |
364 |
f |
[NAG]A:335 |
x,y,z |
1_555 |
10 |
1 |
374 |
79.1 |
2.5 |
0.093 |
1 |
0 |
0 |
0.000 |
| 28 |
43 |
|
[NDG]D:330 |
7 |
1 |
359 |
◊ |
D |
x,y,z |
1_555 |
11 |
3 |
15997 |
78.5 |
1.8 |
0.398 |
1 |
0 |
0 |
0.000 |
| 29 |
44 |
|
[NDG]G:330 |
11 |
1 |
368 |
f |
[NAG]A:333 |
x,y,z |
1_555 |
8 |
1 |
364 |
77.6 |
3.0 |
0.095 |
0 |
0 |
0 |
0.000 |
| 30 |
45 |
|
[NDG]D:332 |
8 |
1 |
364 |
f |
A |
x,y,z |
1_555 |
11 |
6 |
16079 |
77.1 |
-0.2 |
0.123 |
0 |
0 |
0 |
0.004 |
| 31 |
46 |
|
[NDG]D:333 |
11 |
1 |
367 |
◊ |
[NAG]G:335 |
x,y,z |
1_555 |
5 |
1 |
366 |
76.2 |
2.5 |
0.101 |
0 |
0 |
0 |
0.000 |
| 32 |
47 |
|
H |
11 |
4 |
12723 |
◊ |
H |
-x+1,y,-z+3/2 |
3_656 |
11 |
4 |
12723 |
70.3 |
-0.7 |
0.541 |
0 |
0 |
0 |
0.000 |
| 33 |
48 |
|
[NDG]B:222 |
7 |
1 |
367 |
f |
[NDG]A:334 |
x,y,z |
1_555 |
8 |
1 |
372 |
65.9 |
1.6 |
0.054 |
1 |
0 |
0 |
0.000 |
| 34 |
49 |
|
[MAN]D:335 |
9 |
1 |
306 |
f |
[MAN]D:334 |
x,y,z |
1_555 |
5 |
1 |
296 |
58.9 |
2.4 |
0.179 |
0 |
0 |
0 |
0.000 |
| 35 |
50 |
|
[NDG]A:331 |
7 |
1 |
359 |
f |
[NAG]A:332 |
x,y,z |
1_555 |
8 |
1 |
369 |
58.6 |
0.7 |
0.035 |
1 |
0 |
0 |
0.000 |
| 36 |
51 |
|
[NDG]G:330 |
6 |
1 |
368 |
◊ |
A |
x,y,z |
1_555 |
9 |
4 |
16079 |
58.4 |
2.2 |
0.569 |
0 |
0 |
0 |
0.000 |
52 |
|
[NDG]D:333 |
5 |
1 |
367 |
◊ |
G |
x,y,z |
1_555 |
6 |
4 |
16098 |
48.2 |
1.8 |
0.583 |
0 |
0 |
0 |
0.000 |
| Average: |
53.3 |
2.0 |
0.576 |
0 |
0 |
0 |
0.000 |
| 37 |
53 |
|
[NDG]D:330 |
7 |
1 |
359 |
◊ |
D |
x,-y,-z+1 |
4_556 |
8 |
3 |
15997 |
57.9 |
1.6 |
0.290 |
0 |
0 |
0 |
0.000 |
| 38 |
54 |
|
[MAN]A:336 |
8 |
1 |
302 |
f |
[NAG]A:335 |
x,y,z |
1_555 |
7 |
1 |
374 |
57.8 |
1.6 |
0.101 |
0 |
0 |
0 |
0.000 |
| 39 |
55 |
|
[MAN]G:332 |
7 |
1 |
301 |
f |
[MAN]G:331 |
x,y,z |
1_555 |
6 |
1 |
298 |
52.9 |
2.4 |
0.207 |
0 |
0 |
0 |
0.000 |
| 40 |
56 |
|
[MAN]A:337 |
6 |
1 |
305 |
◊ |
[MAN]A:336 |
x,y,z |
1_555 |
4 |
1 |
302 |
48.7 |
1.6 |
0.240 |
0 |
0 |
0 |
0.000 |
| 41 |
57 |
|
[MAN]A:336 |
6 |
1 |
302 |
f |
A |
x,y,z |
1_555 |
6 |
1 |
16079 |
46.3 |
0.2 |
0.205 |
0 |
0 |
0 |
0.000 |
| 42 |
58 |
|
[MAN]D:334 |
6 |
1 |
296 |
f |
[NDG]D:333 |
x,y,z |
1_555 |
5 |
1 |
367 |
45.4 |
0.2 |
0.056 |
0 |
0 |
0 |
0.000 |
| 43 |
59 |
|
[NDG]D:330 |
4 |
1 |
359 |
f |
E |
x,y,z |
1_555 |
7 |
4 |
12686 |
45.4 |
1.1 |
0.480 |
0 |
0 |
0 |
0.000 |
| 44 |
60 |
|
[MAN]G:331 |
7 |
1 |
298 |
f |
[NDG]G:330 |
x,y,z |
1_555 |
4 |
1 |
368 |
45.0 |
0.6 |
0.058 |
0 |
0 |
0 |
0.000 |
| 45 |
61 |
|
[NAG]A:335 |
3 |
1 |
374 |
◊ |
D |
x,y,z |
1_555 |
6 |
4 |
15997 |
44.0 |
1.5 |
0.593 |
0 |
0 |
0 |
0.000 |
| 46 |
62 |
|
[MAN]G:331 |
6 |
1 |
298 |
f |
G |
x,y,z |
1_555 |
6 |
1 |
16098 |
43.2 |
0.3 |
0.209 |
0 |
0 |
0 |
0.000 |
| 47 |
63 |
|
[MAN]D:334 |
6 |
1 |
296 |
f |
D |
x,y,z |
1_555 |
3 |
1 |
15997 |
40.3 |
0.4 |
0.145 |
0 |
0 |
0 |
0.000 |
| 48 |
64 |
|
[NAG]A:330 |
2 |
1 |
366 |
f |
B |
x,y,z |
1_555 |
4 |
2 |
12573 |
34.5 |
0.2 |
0.402 |
0 |
0 |
0 |
0.000 |
| 49 |
65 |
|
[NDG]G:336 |
3 |
1 |
366 |
f |
H |
x,y,z |
1_555 |
3 |
1 |
12723 |
30.6 |
1.0 |
0.437 |
1 |
0 |
0 |
0.000 |
| 50 |
66 |
|
[MAN]A:337 |
5 |
1 |
305 |
f |
B |
-x+1/2,-y+1/2,z-1/2 |
6_554 |
5 |
1 |
12573 |
28.7 |
0.7 |
0.347 |
0 |
0 |
0 |
0.000 |
| 51 |
67 |
|
[NAG]A:332 |
4 |
1 |
369 |
f |
A |
x,y,z |
1_555 |
6 |
2 |
16079 |
25.9 |
0.4 |
0.340 |
0 |
0 |
0 |
0.000 |
| 52 |
68 |
|
[NDG]A:334 |
2 |
1 |
372 |
f |
B |
x,y,z |
1_555 |
3 |
1 |
12573 |
20.5 |
0.5 |
0.376 |
1 |
0 |
0 |
0.000 |
| 53 |
69 |
|
[MAN]D:335 |
2 |
1 |
306 |
f |
D |
x,y,z |
1_555 |
2 |
1 |
15997 |
18.3 |
0.1 |
0.256 |
0 |
0 |
0 |
0.000 |
| 54 |
70 |
|
[NDG]B:222 |
1 |
1 |
367 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
16079 |
15.9 |
0.8 |
0.442 |
0 |
0 |
0 |
0.000 |
| 55 |
71 |
|
[NDG]B:222 |
3 |
1 |
367 |
f |
B |
x,y,z |
1_555 |
1 |
1 |
12573 |
15.0 |
0.5 |
0.345 |
0 |
0 |
0 |
0.000 |
| 56 |
72 |
|
[MAN]D:335 |
2 |
1 |
306 |
f |
[NDG]D:333 |
x,y,z |
1_555 |
3 |
1 |
367 |
13.2 |
0.4 |
0.195 |
0 |
0 |
0 |
0.000 |
| 57 |
73 |
|
[MAN]G:332 |
3 |
1 |
301 |
f |
G |
x,y,z |
1_555 |
1 |
1 |
16098 |
5.5 |
0.1 |
0.244 |
0 |
0 |
0 |
0.000 |
| 58 |
74 |
|
[MAN]G:332 |
2 |
1 |
301 |
f |
[NDG]G:330 |
x,y,z |
1_555 |
1 |
1 |
368 |
4.0 |
-0.0 |
0.136 |
0 |
0 |
0 |
0.000 |
| 59 |
75 |
|
[NAG]A:333 |
1 |
1 |
364 |
◊ |
A |
-x+1,y,-z+1/2 |
3_655 |
1 |
1 |
16079 |
3.7 |
0.1 |
0.315 |
0 |
0 |
0 |
0.000 |
| 60 |
76 |
|
[NAG]G:335 |
1 |
1 |
366 |
f |
D |
-x+1,y,-z+1/2 |
3_655 |
1 |
1 |
15997 |
1.0 |
0.0 |
0.299 |
0 |
0 |
0 |
0.000 |
|