## |
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 |
|
D |
409 |
98 |
22288 |
◊ |
B |
x,y,z |
1_555 |
407 |
95 |
22165 |
3715.9 |
-38.7 |
0.034 |
54 |
10 |
0 |
0.530 |
2 |
2 |
|
B |
355 |
87 |
22165 |
◊ |
A |
x,y,z |
1_555 |
282 |
61 |
7464 |
3065.1 |
-33.5 |
0.346 |
48 |
4 |
0 |
0.830 |
3 |
|
D |
356 |
86 |
22288 |
◊ |
C |
x,y,z |
1_555 |
277 |
62 |
7594 |
3063.9 |
-35.0 |
0.272 |
44 |
1 |
0 |
0.830 |
Average: |
3064.5 |
-34.3 |
0.309 |
46 |
3 |
0 |
0.830 |
3 |
4 |
|
D |
43 |
9 |
22288 |
◊ |
A |
x,y,z |
1_555 |
31 |
7 |
7464 |
336.0 |
-7.2 |
0.141 |
1 |
0 |
0 |
0.063 |
5 |
|
B |
45 |
13 |
22165 |
◊ |
C |
x,y,z |
1_555 |
29 |
7 |
7594 |
320.3 |
-6.6 |
0.187 |
1 |
0 |
0 |
0.063 |
Average: |
328.2 |
-6.9 |
0.164 |
1 |
0 |
0 |
0.063 |
4 |
6 |
|
[NGT]D:706 |
14 |
1 |
354 |
f |
D |
x,y,z |
1_555 |
44 |
15 |
22288 |
239.2 |
3.8 |
0.599 |
6 |
0 |
0 |
0.000 |
7 |
|
[NGT]B:707 |
14 |
1 |
356 |
f |
B |
x,y,z |
1_555 |
39 |
14 |
22165 |
233.9 |
5.4 |
0.661 |
6 |
0 |
0 |
0.000 |
Average: |
236.6 |
4.6 |
0.630 |
6 |
0 |
0 |
0.000 |
5 |
8 |
|
B |
28 |
8 |
22165 |
◊ |
A |
y,x,-z+1 |
7_556 |
28 |
8 |
7464 |
233.0 |
2.2 |
0.924 |
5 |
0 |
0 |
0.000 |
9 |
|
D |
25 |
8 |
22288 |
◊ |
C |
y,x,-z+1 |
7_556 |
25 |
8 |
7594 |
204.9 |
1.7 |
0.855 |
6 |
0 |
0 |
0.000 |
Average: |
218.9 |
1.9 |
0.890 |
6 |
0 |
0 |
0.000 |
6 |
10 |
|
D |
28 |
9 |
22288 |
◊ |
B |
y-1,x,-z+1 |
7_456 |
24 |
8 |
22165 |
203.5 |
-0.8 |
0.574 |
0 |
0 |
0 |
0.000 |
7 |
11 |
|
A |
16 |
6 |
7464 |
◊ |
D |
-y+1/2,x+1/2,z-1/4 |
3_554 |
21 |
6 |
22288 |
170.1 |
-1.7 |
0.505 |
2 |
0 |
0 |
0.000 |
8 |
12 |
|
[TBR]D:705 |
10 |
1 |
535 |
◊ |
D |
x,y,z |
1_555 |
23 |
6 |
22288 |
158.6 |
-1.0 |
0.619 |
0 |
0 |
0 |
0.000 |
9 |
13 |
|
[TBR]D:705 |
10 |
1 |
535 |
f |
B |
y-1,x,-z+1 |
7_456 |
21 |
8 |
22165 |
146.9 |
-1.6 |
0.478 |
0 |
0 |
0 |
0.019 |
10 |
14 |
|
[NAG]B:701 |
11 |
1 |
358 |
cf |
B |
x,y,z |
1_555 |
19 |
7 |
22165 |
145.2 |
4.2 |
0.488 |
0 |
0 |
0 |
0.000 |
11 |
15 |
|
[NAG]D:701 |
11 |
1 |
359 |
cf |
D |
x,y,z |
1_555 |
16 |
6 |
22288 |
121.0 |
2.7 |
0.324 |
1 |
0 |
0 |
0.000 |
12 |
16 |
|
B |
11 |
4 |
22165 |
◊ |
D |
-y+1/2,x+1/2,z-1/4 |
3_554 |
21 |
8 |
22288 |
120.9 |
-0.1 |
0.634 |
1 |
0 |
0 |
0.000 |
13 |
17 |
|
[NAG]B:704 |
10 |
1 |
360 |
cf |
B |
x,y,z |
1_555 |
13 |
6 |
22165 |
110.7 |
2.2 |
0.352 |
0 |
0 |
0 |
0.000 |
14 |
18 |
|
[MAN]C:103 |
8 |
1 |
292 |
cf |
C |
x,y,z |
1_555 |
10 |
4 |
7594 |
104.7 |
1.4 |
0.355 |
0 |
0 |
0 |
0.000 |
15 |
19 |
|
[MAN]A:101 |
8 |
1 |
292 |
cf |
A |
x,y,z |
1_555 |
10 |
5 |
7464 |
96.8 |
2.4 |
0.501 |
0 |
0 |
0 |
0.000 |
20 |
|
[MAN]C:101 |
8 |
1 |
291 |
cf |
C |
x,y,z |
1_555 |
10 |
5 |
7594 |
92.7 |
2.2 |
0.458 |
0 |
0 |
0 |
0.000 |
Average: |
94.7 |
2.3 |
0.480 |
0 |
0 |
0 |
0.000 |
16 |
21 |
|
[MAN]C:102 |
7 |
1 |
289 |
cf |
C |
x,y,z |
1_555 |
11 |
4 |
7594 |
96.5 |
2.2 |
0.515 |
0 |
0 |
0 |
0.000 |
22 |
|
[MAN]A:102 |
7 |
1 |
291 |
cf |
A |
x,y,z |
1_555 |
10 |
4 |
7464 |
93.2 |
2.0 |
0.500 |
0 |
0 |
0 |
0.000 |
Average: |
94.9 |
2.1 |
0.507 |
0 |
0 |
0 |
0.000 |
17 |
23 |
|
[MAN]A:103 |
10 |
1 |
293 |
cf |
A |
x,y,z |
1_555 |
10 |
4 |
7464 |
93.2 |
1.8 |
0.355 |
0 |
0 |
0 |
0.000 |
18 |
24 |
|
[NAG]D:704 |
9 |
1 |
365 |
cf |
D |
x,y,z |
1_555 |
8 |
3 |
22288 |
92.1 |
2.3 |
0.364 |
0 |
0 |
0 |
0.000 |
19 |
25 |
|
[NAG]B:706 |
9 |
1 |
354 |
cf |
B |
x,y,z |
1_555 |
7 |
3 |
22165 |
91.8 |
2.4 |
0.367 |
0 |
0 |
0 |
0.000 |
20 |
26 |
|
[NAG]D:702 |
7 |
1 |
364 |
f |
D |
x,y,z |
1_555 |
17 |
5 |
22288 |
87.3 |
2.4 |
0.468 |
0 |
0 |
0 |
0.000 |
27 |
|
[NAG]B:702 |
6 |
1 |
357 |
f |
B |
x,y,z |
1_555 |
16 |
5 |
22165 |
73.6 |
1.2 |
0.415 |
0 |
0 |
0 |
0.000 |
Average: |
80.4 |
1.8 |
0.441 |
0 |
0 |
0 |
0.000 |
21 |
28 |
|
B |
8 |
2 |
22165 |
◊ |
C |
-y+1/2,x+1/2,z-1/4 |
3_554 |
11 |
3 |
7594 |
85.6 |
-0.3 |
0.635 |
1 |
0 |
0 |
0.000 |
22 |
29 |
|
[NAG]B:702 |
7 |
1 |
357 |
cf |
[NAG]B:701 |
x,y,z |
1_555 |
7 |
1 |
358 |
71.9 |
2.1 |
0.137 |
0 |
0 |
0 |
0.000 |
23 |
30 |
|
[NAG]D:702 |
9 |
1 |
364 |
cf |
[NAG]D:701 |
x,y,z |
1_555 |
5 |
1 |
359 |
71.4 |
1.9 |
0.129 |
1 |
0 |
0 |
0.000 |
24 |
31 |
|
[CL]B:711 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
12 |
5 |
22165 |
69.6 |
-8.7 |
0.000 |
0 |
0 |
0 |
0.143 |
32 |
|
[CL]D:708 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
10 |
5 |
22288 |
69.3 |
-8.7 |
0.000 |
0 |
0 |
0 |
0.143 |
Average: |
69.5 |
-8.7 |
0.000 |
0 |
0 |
0 |
0.143 |
25 |
33 |
|
[CL]B:710 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
11 |
5 |
22165 |
65.0 |
-7.4 |
0.000 |
0 |
0 |
0 |
0.084 |
26 |
34 |
|
[NAG]B:705 |
9 |
1 |
352 |
cf |
[NAG]B:704 |
x,y,z |
1_555 |
7 |
1 |
360 |
63.9 |
0.9 |
0.065 |
0 |
0 |
0 |
0.000 |
27 |
35 |
|
[CL]B:714 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
10 |
5 |
22165 |
61.9 |
-8.6 |
0.000 |
0 |
0 |
0 |
0.140 |
36 |
|
[CL]D:710 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
12 |
5 |
22288 |
60.4 |
-8.4 |
0.000 |
0 |
0 |
0 |
0.140 |
Average: |
61.1 |
-8.5 |
0.000 |
0 |
0 |
0 |
0.140 |
28 |
37 |
|
[CL]B:709 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
12 |
4 |
22165 |
60.2 |
-7.1 |
0.000 |
0 |
0 |
0 |
0.080 |
29 |
38 |
|
[BMA]D:703 |
5 |
1 |
292 |
cf |
[NAG]D:702 |
x,y,z |
1_555 |
6 |
1 |
364 |
59.6 |
1.8 |
0.171 |
0 |
0 |
0 |
0.000 |
30 |
39 |
|
[MAN]A:102 |
4 |
1 |
291 |
◊ |
D |
x,y,z |
1_555 |
8 |
3 |
22288 |
59.6 |
1.0 |
0.472 |
1 |
0 |
0 |
0.000 |
40 |
|
[MAN]C:102 |
4 |
1 |
289 |
◊ |
B |
x,y,z |
1_555 |
8 |
3 |
22165 |
59.2 |
1.0 |
0.425 |
1 |
0 |
0 |
0.000 |
Average: |
59.4 |
1.0 |
0.448 |
1 |
0 |
0 |
0.000 |
31 |
41 |
|
A |
7 |
2 |
7464 |
◊ |
A |
y,x,-z+1 |
7_556 |
7 |
2 |
7464 |
59.6 |
-0.9 |
0.568 |
0 |
0 |
0 |
0.000 |
42 |
|
C |
7 |
2 |
7594 |
◊ |
C |
y,x,-z+1 |
7_556 |
6 |
2 |
7594 |
38.3 |
-0.9 |
0.555 |
0 |
0 |
0 |
0.000 |
Average: |
48.9 |
-0.9 |
0.561 |
0 |
0 |
0 |
0.000 |
32 |
43 |
|
[NAG]D:701 |
5 |
1 |
359 |
◊ |
A |
x,y,z |
1_555 |
7 |
3 |
7464 |
56.4 |
1.1 |
0.449 |
0 |
0 |
0 |
0.000 |
33 |
44 |
|
[CL]D:709 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
9 |
4 |
22288 |
54.7 |
-6.8 |
0.000 |
0 |
0 |
0 |
0.107 |
45 |
|
[CL]B:713 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
9 |
4 |
22165 |
51.4 |
-6.2 |
0.000 |
0 |
0 |
0 |
0.107 |
Average: |
53.0 |
-6.5 |
0.000 |
0 |
0 |
0 |
0.107 |
34 |
46 |
|
[BMA]B:703 |
6 |
1 |
295 |
cf |
[NAG]B:702 |
x,y,z |
1_555 |
6 |
1 |
357 |
53.6 |
1.0 |
0.107 |
0 |
0 |
0 |
0.000 |
35 |
47 |
|
[CL]B:708 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
7 |
4 |
22165 |
49.9 |
-6.3 |
0.000 |
0 |
0 |
0 |
0.071 |
36 |
48 |
|
A |
7 |
2 |
7464 |
◊ |
C |
-y+1/2,x+1/2,z-1/4 |
3_554 |
5 |
2 |
7594 |
49.6 |
-1.3 |
0.341 |
0 |
0 |
0 |
0.000 |
37 |
49 |
|
[CL]B:712 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
9 |
5 |
22165 |
48.0 |
-6.0 |
0.000 |
0 |
0 |
0 |
0.101 |
50 |
|
[CL]D:707 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
9 |
4 |
22288 |
46.7 |
-6.3 |
0.000 |
0 |
0 |
0 |
0.101 |
Average: |
47.4 |
-6.1 |
0.000 |
0 |
0 |
0 |
0.101 |
38 |
51 |
|
[NAG]B:701 |
5 |
1 |
358 |
◊ |
C |
x,y,z |
1_555 |
6 |
3 |
7594 |
47.0 |
0.5 |
0.323 |
0 |
0 |
0 |
0.000 |
39 |
52 |
|
[CL]B:709 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
9 |
2 |
7464 |
45.5 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.058 |
40 |
53 |
|
[NAG]D:704 |
3 |
1 |
365 |
◊ |
B |
x,y,z |
1_555 |
6 |
2 |
22165 |
45.2 |
1.0 |
0.371 |
0 |
0 |
0 |
0.000 |
41 |
54 |
|
[NAG]B:706 |
3 |
1 |
354 |
◊ |
D |
x,y,z |
1_555 |
5 |
2 |
22288 |
43.5 |
1.1 |
0.378 |
0 |
0 |
0 |
0.000 |
42 |
55 |
|
[MAN]C:101 |
6 |
1 |
291 |
◊ |
D |
x,y,z |
1_555 |
7 |
4 |
22288 |
42.3 |
0.7 |
0.270 |
0 |
0 |
0 |
0.000 |
43 |
56 |
|
[MAN]A:101 |
6 |
1 |
292 |
◊ |
B |
x,y,z |
1_555 |
5 |
4 |
22165 |
41.1 |
0.6 |
0.239 |
0 |
0 |
0 |
0.000 |
44 |
57 |
|
[MAN]A:103 |
4 |
1 |
293 |
f |
[MAN]A:102 |
x,y,z |
1_555 |
4 |
1 |
291 |
34.5 |
0.7 |
0.167 |
1 |
0 |
0 |
0.000 |
45 |
58 |
|
B |
7 |
5 |
22165 |
◊ |
B |
y,x,-z+1 |
7_556 |
7 |
5 |
22165 |
34.1 |
0.7 |
0.791 |
0 |
0 |
0 |
0.000 |
59 |
|
D |
3 |
2 |
22288 |
◊ |
D |
y,x,-z+1 |
7_556 |
3 |
2 |
22288 |
30.4 |
0.8 |
0.882 |
0 |
0 |
0 |
0.000 |
Average: |
32.3 |
0.7 |
0.837 |
0 |
0 |
0 |
0.000 |
46 |
60 |
|
[NAG]B:705 |
3 |
1 |
352 |
f |
B |
x,y,z |
1_555 |
5 |
3 |
22165 |
31.6 |
0.8 |
0.456 |
1 |
0 |
0 |
0.000 |
47 |
61 |
|
[MAN]C:103 |
3 |
1 |
292 |
f |
[MAN]C:102 |
x,y,z |
1_555 |
3 |
1 |
289 |
31.1 |
1.1 |
0.236 |
0 |
0 |
0 |
0.000 |
48 |
62 |
|
[CL]D:710 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
2 |
2 |
22165 |
24.9 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.044 |
63 |
|
[CL]B:714 |
1 |
1 |
125 |
◊ |
D |
x,y,z |
1_555 |
3 |
2 |
22288 |
22.0 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.044 |
Average: |
23.5 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.044 |
49 |
64 |
|
[MAN]C:102 |
4 |
1 |
289 |
◊ |
D |
x,y,z |
1_555 |
2 |
2 |
22288 |
8.7 |
0.0 |
0.234 |
0 |
0 |
0 |
0.000 |
65 |
|
[MAN]A:102 |
3 |
1 |
291 |
◊ |
B |
x,y,z |
1_555 |
2 |
2 |
22165 |
5.3 |
0.1 |
0.311 |
0 |
0 |
0 |
0.000 |
Average: |
7.0 |
0.0 |
0.273 |
0 |
0 |
0 |
0.000 |
50 |
66 |
|
A |
1 |
1 |
7464 |
◊ |
[MAN]C:103 |
-y+1/2,x+1/2,z-1/4 |
3_554 |
2 |
1 |
292 |
8.6 |
0.2 |
0.457 |
0 |
0 |
0 |
0.000 |
51 |
67 |
|
D |
1 |
1 |
22288 |
◊ |
B |
x-1/2,-y+1/2,-z+5/4 |
6_456 |
2 |
2 |
22165 |
6.0 |
0.3 |
0.781 |
0 |
0 |
0 |
0.000 |
52 |
68 |
|
[MAN]C:103 |
1 |
1 |
292 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
22165 |
4.6 |
0.1 |
0.241 |
0 |
0 |
0 |
0.000 |
53 |
69 |
|
[BMA]B:703 |
1 |
1 |
295 |
f |
B |
x,y,z |
1_555 |
1 |
1 |
22165 |
4.5 |
-0.0 |
0.237 |
0 |
0 |
0 |
0.000 |
|