## |
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 |
|
L |
93 |
21 |
4089 |
◊ |
H |
x,y,z |
1_555 |
96 |
30 |
10825 |
825.3 |
-10.2 |
0.057 |
14 |
0 |
1 |
0.481 |
2 |
2 |
|
A |
56 |
4 |
5125 |
◊ |
H |
x,y,z |
1_555 |
56 |
15 |
10825 |
421.8 |
4.3 |
0.783 |
3 |
0 |
0 |
0.000 |
3 |
3 |
|
L |
39 |
12 |
4089 |
◊ |
H |
x-1/2,-y-1/2,-z |
8_445 |
47 |
15 |
10825 |
412.1 |
3.3 |
0.882 |
9 |
9 |
0 |
0.000 |
4 |
4 |
|
[CFL]A:12 |
20 |
1 |
434 |
cf |
A |
x,y,z |
1_555 |
32 |
4 |
5125 |
242.6 |
3.4 |
0.695 |
5 |
0 |
0 |
0.000 |
5 |
5 |
|
[UFT]A:17 |
19 |
1 |
427 |
cf |
A |
x,y,z |
1_555 |
30 |
3 |
5125 |
216.5 |
4.4 |
0.748 |
2 |
0 |
0 |
0.000 |
6 |
6 |
|
[UFT]A:20 |
18 |
1 |
428 |
cf |
A |
x,y,z |
1_555 |
26 |
5 |
5125 |
207.1 |
1.2 |
0.576 |
3 |
0 |
0 |
0.003 |
7 |
7 |
|
[UFT]A:24 |
18 |
1 |
436 |
cf |
A |
x,y,z |
1_555 |
24 |
4 |
5125 |
181.3 |
1.6 |
0.640 |
3 |
0 |
0 |
0.000 |
8 |
8 |
|
[CFL]A:27 |
15 |
1 |
436 |
cf |
A |
x,y,z |
1_555 |
27 |
3 |
5125 |
173.8 |
1.6 |
0.634 |
3 |
0 |
0 |
0.000 |
9 |
9 |
|
A |
23 |
2 |
5125 |
◊ |
A |
-x,y,-z-1/2 |
3_554 |
23 |
2 |
5125 |
167.4 |
4.0 |
0.879 |
4 |
0 |
0 |
0.000 |
10 |
10 |
|
[CFL]A:32 |
16 |
1 |
427 |
cf |
A |
x,y,z |
1_555 |
24 |
3 |
5125 |
159.2 |
2.3 |
0.664 |
3 |
0 |
0 |
0.000 |
11 |
11 |
|
[CFL]A:22 |
11 |
1 |
418 |
cf |
A |
x,y,z |
1_555 |
19 |
5 |
5125 |
153.2 |
-0.3 |
0.453 |
3 |
0 |
0 |
0.039 |
12 |
12 |
|
[CFL]A:6 |
16 |
1 |
428 |
cf |
A |
x,y,z |
1_555 |
22 |
2 |
5125 |
150.8 |
1.6 |
0.628 |
4 |
0 |
0 |
0.003 |
13 |
13 |
|
L |
23 |
8 |
4089 |
◊ |
H |
x-1,y,z |
1_455 |
18 |
5 |
10825 |
147.4 |
0.6 |
0.723 |
1 |
0 |
0 |
0.000 |
14 |
14 |
|
[CFL]A:29 |
15 |
1 |
425 |
◊ |
H |
x,y,z |
1_555 |
23 |
5 |
10825 |
144.1 |
1.7 |
0.498 |
0 |
0 |
0 |
0.000 |
15 |
15 |
|
[CFL]A:9 |
13 |
1 |
424 |
cf |
A |
x,y,z |
1_555 |
21 |
3 |
5125 |
144.0 |
-0.1 |
0.498 |
2 |
0 |
0 |
0.022 |
16 |
16 |
|
[CFL]A:30 |
13 |
1 |
425 |
◊ |
H |
x,y,z |
1_555 |
19 |
6 |
10825 |
133.7 |
0.7 |
0.448 |
3 |
0 |
0 |
0.000 |
17 |
17 |
|
[CFL]A:8 |
14 |
1 |
433 |
cf |
[CFL]A:7 |
x,y,z |
1_555 |
15 |
1 |
434 |
118.2 |
2.2 |
0.484 |
1 |
0 |
0 |
0.000 |
18 |
18 |
|
[UFT]A:24 |
14 |
1 |
436 |
cf |
[UFT]A:23 |
x,y,z |
1_555 |
16 |
1 |
429 |
117.4 |
2.0 |
0.511 |
0 |
0 |
0 |
0.000 |
19 |
|
[UFT]A:36 |
14 |
1 |
434 |
cf |
[UFT]A:35 |
x,y,z |
1_555 |
16 |
1 |
433 |
113.4 |
2.1 |
0.532 |
0 |
0 |
0 |
0.000 |
Average: |
115.4 |
2.1 |
0.521 |
0 |
0 |
0 |
0.000 |
19 |
20 |
|
[CFL]A:30 |
14 |
1 |
425 |
cf |
[CFL]A:29 |
x,y,z |
1_555 |
16 |
1 |
425 |
115.6 |
1.8 |
0.435 |
1 |
0 |
0 |
0.000 |
21 |
|
[CFL]A:29 |
14 |
1 |
425 |
cf |
[CFL]A:28 |
x,y,z |
1_555 |
15 |
1 |
433 |
114.8 |
1.9 |
0.462 |
2 |
0 |
0 |
0.000 |
22 |
|
[CFL]A:9 |
14 |
1 |
424 |
cf |
[CFL]A:8 |
x,y,z |
1_555 |
15 |
1 |
433 |
113.6 |
2.3 |
0.461 |
2 |
0 |
0 |
0.000 |
Average: |
114.6 |
2.0 |
0.452 |
2 |
0 |
0 |
0.000 |
20 |
23 |
|
[UFT]A:35 |
13 |
1 |
433 |
cf |
[CFL]A:34 |
x,y,z |
1_555 |
15 |
1 |
429 |
114.8 |
1.7 |
0.479 |
2 |
0 |
0 |
0.000 |
24 |
|
[UFT]A:33 |
14 |
1 |
422 |
cf |
[CFL]A:32 |
x,y,z |
1_555 |
13 |
1 |
427 |
114.2 |
2.2 |
0.516 |
2 |
0 |
0 |
0.000 |
Average: |
114.5 |
1.9 |
0.498 |
2 |
0 |
0 |
0.000 |
21 |
25 |
|
[UFT]A:23 |
13 |
1 |
429 |
cf |
[CFL]A:22 |
x,y,z |
1_555 |
14 |
1 |
418 |
112.6 |
0.7 |
0.346 |
2 |
0 |
0 |
0.005 |
22 |
26 |
|
[CFL]A:34 |
11 |
1 |
429 |
◊ |
H |
x,-y,-z |
4_555 |
12 |
4 |
10825 |
111.2 |
-0.2 |
0.432 |
3 |
0 |
0 |
0.037 |
23 |
27 |
|
[CFL]A:7 |
15 |
1 |
434 |
cf |
[CFL]A:6 |
x,y,z |
1_555 |
13 |
1 |
428 |
110.4 |
2.4 |
0.502 |
2 |
0 |
0 |
0.000 |
24 |
28 |
|
[UFT]A:23 |
12 |
1 |
429 |
f |
A |
x,y,z |
1_555 |
17 |
6 |
5125 |
109.3 |
0.4 |
0.563 |
1 |
0 |
0 |
0.000 |
25 |
29 |
|
[UFT]A:33 |
13 |
1 |
422 |
cf |
[CFL]A:34 |
x,y,z |
1_555 |
14 |
1 |
429 |
104.4 |
2.4 |
0.538 |
0 |
0 |
0 |
0.000 |
26 |
30 |
|
[CFL]A:28 |
13 |
1 |
433 |
cf |
[CFL]A:27 |
x,y,z |
1_555 |
15 |
1 |
436 |
102.9 |
1.6 |
0.436 |
1 |
0 |
0 |
0.000 |
27 |
31 |
|
[CFL]A:30 |
12 |
1 |
425 |
cf |
A |
x,y,z |
1_555 |
11 |
1 |
5125 |
89.9 |
1.0 |
0.541 |
2 |
0 |
0 |
0.000 |
28 |
32 |
|
[UFT]A:33 |
9 |
1 |
422 |
f |
A |
x,y,z |
1_555 |
9 |
3 |
5125 |
82.2 |
1.7 |
0.640 |
1 |
0 |
0 |
0.000 |
29 |
33 |
|
[UFT]A:35 |
9 |
1 |
433 |
f |
A |
x,y,z |
1_555 |
10 |
4 |
5125 |
79.4 |
1.7 |
0.639 |
1 |
0 |
0 |
0.000 |
30 |
34 |
|
[UFT]A:20 |
12 |
1 |
428 |
f |
[CFL]A:22 |
x,y,z |
1_555 |
13 |
1 |
418 |
77.7 |
2.6 |
0.475 |
0 |
0 |
0 |
0.000 |
31 |
35 |
|
[CFL]A:8 |
11 |
1 |
433 |
◊ |
H |
x,y,z |
1_555 |
6 |
2 |
10825 |
76.7 |
2.5 |
0.735 |
1 |
0 |
0 |
0.000 |
32 |
36 |
|
[CFL]A:34 |
8 |
1 |
429 |
f |
A |
x,y,z |
1_555 |
9 |
3 |
5125 |
76.1 |
1.7 |
0.635 |
3 |
0 |
0 |
0.000 |
33 |
37 |
|
H |
7 |
2 |
10825 |
x |
H |
x-1/2,-y-1/2,-z |
8_445 |
14 |
5 |
10825 |
73.2 |
1.6 |
0.810 |
1 |
2 |
0 |
0.000 |
34 |
38 |
|
A |
10 |
2 |
5125 |
◊ |
H |
-x,y,-z-1/2 |
3_554 |
3 |
2 |
10825 |
73.1 |
-0.5 |
0.550 |
2 |
0 |
0 |
0.003 |
35 |
39 |
|
[CFL]A:28 |
7 |
1 |
433 |
◊ |
H |
x,y,z |
1_555 |
6 |
2 |
10825 |
71.8 |
2.1 |
0.732 |
3 |
0 |
0 |
0.000 |
36 |
40 |
|
[NA]H:301 |
1 |
1 |
125 |
f |
H |
x,y,z |
1_555 |
13 |
8 |
10825 |
68.6 |
-12.3 |
0.000 |
0 |
0 |
0 |
0.290 |
37 |
41 |
|
[CFL]A:7 |
9 |
1 |
434 |
f |
A |
x,y,z |
1_555 |
8 |
1 |
5125 |
62.3 |
1.7 |
0.619 |
0 |
0 |
0 |
0.000 |
38 |
42 |
|
[UFT]A:36 |
8 |
1 |
434 |
f |
A |
x,y,z |
1_555 |
7 |
2 |
5125 |
58.8 |
0.3 |
0.530 |
2 |
0 |
0 |
0.014 |
39 |
43 |
|
[UFT]A:35 |
3 |
1 |
433 |
◊ |
H |
x,-y,-z |
4_555 |
7 |
3 |
10825 |
56.0 |
-2.2 |
0.197 |
1 |
0 |
0 |
0.063 |
40 |
44 |
|
[CFL]A:28 |
9 |
1 |
433 |
f |
A |
x,y,z |
1_555 |
8 |
1 |
5125 |
55.3 |
1.5 |
0.604 |
0 |
0 |
0 |
0.000 |
41 |
45 |
|
[UFT]A:33 |
4 |
1 |
422 |
◊ |
H |
x,-y,-z |
4_555 |
7 |
4 |
10825 |
53.0 |
1.4 |
0.650 |
2 |
0 |
0 |
0.000 |
42 |
46 |
|
[CFL]A:27 |
6 |
1 |
436 |
f |
[CFL]A:12 |
x,y,z |
1_555 |
6 |
1 |
434 |
48.0 |
1.3 |
0.498 |
0 |
0 |
0 |
0.000 |
43 |
47 |
|
[UFT]A:36 |
7 |
1 |
434 |
◊ |
H |
x,-y,-z |
4_555 |
9 |
4 |
10825 |
47.4 |
-1.4 |
0.372 |
0 |
0 |
0 |
0.033 |
44 |
48 |
|
[CA]H:302 |
1 |
1 |
85 |
f |
H |
x,y,z |
1_555 |
12 |
6 |
10825 |
44.6 |
-12.4 |
0.000 |
0 |
0 |
0 |
0.292 |
45 |
49 |
|
[CFL]A:7 |
5 |
1 |
434 |
◊ |
H |
x,y,z |
1_555 |
2 |
1 |
10825 |
41.3 |
1.4 |
0.685 |
2 |
0 |
0 |
0.000 |
46 |
50 |
|
[CFL]A:9 |
6 |
1 |
424 |
◊ |
H |
x,y,z |
1_555 |
5 |
2 |
10825 |
41.0 |
0.5 |
0.410 |
0 |
0 |
0 |
0.000 |
47 |
51 |
|
[MG]A:102 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
9 |
5 |
5125 |
39.0 |
-5.7 |
0.000 |
0 |
0 |
0 |
0.134 |
48 |
52 |
|
A |
5 |
1 |
5125 |
◊ |
A |
-x-1,y,-z-1/2 |
3_454 |
5 |
1 |
5125 |
35.3 |
-2.1 |
0.350 |
0 |
0 |
0 |
0.000 |
49 |
53 |
|
[CFL]A:28 |
7 |
1 |
433 |
◊ |
A |
-x-1,y,-z-1/2 |
3_454 |
4 |
1 |
5125 |
34.9 |
0.3 |
0.492 |
0 |
0 |
0 |
0.000 |
50 |
54 |
|
[CFL]A:27 |
5 |
1 |
436 |
◊ |
A |
-x-1,y,-z-1/2 |
3_454 |
5 |
2 |
5125 |
33.4 |
-0.1 |
0.459 |
0 |
0 |
0 |
0.000 |
51 |
55 |
|
[CFL]A:6 |
5 |
1 |
428 |
f |
[CFL]A:32 |
x,y,z |
1_555 |
5 |
1 |
427 |
32.2 |
0.7 |
0.467 |
0 |
0 |
0 |
0.000 |
52 |
56 |
|
[MG]A:101 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
7 |
3 |
5125 |
30.1 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.087 |
53 |
57 |
|
[UFT]A:20 |
3 |
1 |
428 |
f |
[UFT]A:17 |
x,y,z |
1_555 |
2 |
1 |
427 |
27.4 |
1.0 |
0.547 |
0 |
0 |
0 |
0.000 |
54 |
58 |
|
[MG]A:101 |
1 |
1 |
98 |
f |
[CFL]A:22 |
x,y,z |
1_555 |
6 |
1 |
418 |
27.1 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.076 |
55 |
59 |
|
[MG]A:101 |
1 |
1 |
98 |
f |
[UFT]A:23 |
x,y,z |
1_555 |
4 |
1 |
429 |
26.0 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.062 |
56 |
60 |
|
[CFL]A:12 |
3 |
1 |
434 |
◊ |
H |
x,y,z |
1_555 |
3 |
1 |
10825 |
23.2 |
-0.9 |
0.249 |
0 |
0 |
0 |
0.000 |
57 |
61 |
|
[MG]A:102 |
1 |
1 |
98 |
f |
[UFT]A:24 |
x,y,z |
1_555 |
2 |
1 |
436 |
22.8 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.055 |
58 |
62 |
|
[CFL]A:9 |
4 |
1 |
424 |
f |
[CFL]A:27 |
x,y,z |
1_555 |
1 |
1 |
436 |
20.5 |
0.2 |
0.371 |
1 |
0 |
0 |
0.005 |
59 |
63 |
|
[UFT]A:20 |
3 |
1 |
428 |
◊ |
H |
-x,y,-z-1/2 |
3_554 |
2 |
1 |
10825 |
20.1 |
0.4 |
0.597 |
0 |
0 |
0 |
0.000 |
60 |
64 |
|
[MG]A:102 |
1 |
1 |
98 |
f |
[CFL]A:9 |
x,y,z |
1_555 |
3 |
1 |
424 |
17.8 |
-1.3 |
0.000 |
0 |
0 |
0 |
0.031 |
61 |
65 |
|
[MG]A:101 |
1 |
1 |
98 |
f |
[UFT]A:24 |
x,y,z |
1_555 |
2 |
1 |
436 |
12.2 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.022 |
62 |
66 |
|
[CFL]A:8 |
3 |
1 |
433 |
f |
[CFL]A:30 |
x,y,z |
1_555 |
3 |
1 |
425 |
12.0 |
0.3 |
0.387 |
0 |
0 |
0 |
0.000 |
63 |
67 |
|
[MG]A:102 |
1 |
1 |
98 |
f |
[UFT]A:23 |
x,y,z |
1_555 |
3 |
1 |
429 |
10.9 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.024 |
64 |
68 |
|
[CFL]A:9 |
1 |
1 |
424 |
f |
[CFL]A:28 |
x,y,z |
1_555 |
1 |
1 |
433 |
10.0 |
0.1 |
0.350 |
0 |
0 |
0 |
0.000 |
65 |
69 |
|
A |
2 |
1 |
5125 |
◊ |
H |
-x-1,y,-z-1/2 |
3_454 |
1 |
1 |
10825 |
9.4 |
-0.6 |
0.270 |
0 |
0 |
0 |
0.000 |
66 |
70 |
|
[MG]A:101 |
1 |
1 |
98 |
f |
[CFL]A:9 |
x,y,z |
1_555 |
4 |
1 |
424 |
9.0 |
-0.7 |
0.000 |
0 |
0 |
0 |
0.017 |
67 |
71 |
|
[UFT]A:24 |
1 |
1 |
436 |
f |
[CFL]A:9 |
x,y,z |
1_555 |
2 |
1 |
424 |
8.0 |
-0.0 |
0.317 |
0 |
0 |
0 |
0.000 |
68 |
72 |
|
[MG]A:102 |
1 |
1 |
98 |
f |
[CFL]A:12 |
x,y,z |
1_555 |
1 |
1 |
434 |
7.2 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.013 |
69 |
73 |
|
[CFL]A:12 |
2 |
1 |
434 |
◊ |
[CFL]A:12 |
-x-1,y,-z-1/2 |
3_454 |
2 |
1 |
434 |
7.1 |
0.1 |
0.343 |
0 |
0 |
0 |
0.000 |
70 |
74 |
|
[MG]A:102 |
1 |
1 |
98 |
f |
[MG]A:101 |
x,y,z |
1_555 |
1 |
1 |
98 |
5.9 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.028 |
71 |
75 |
|
[CFL]A:8 |
1 |
1 |
433 |
f |
A |
x,y,z |
1_555 |
1 |
1 |
5125 |
5.1 |
-0.3 |
0.261 |
0 |
0 |
0 |
0.007 |
72 |
76 |
|
[CFL]A:7 |
1 |
1 |
434 |
f |
[CFL]A:30 |
x,y,z |
1_555 |
2 |
1 |
425 |
4.0 |
0.0 |
0.333 |
0 |
0 |
0 |
0.000 |
73 |
77 |
|
[UFT]A:20 |
1 |
1 |
428 |
◊ |
H |
x,y,z |
1_555 |
1 |
1 |
10825 |
3.8 |
-0.3 |
0.263 |
0 |
0 |
0 |
0.000 |
74 |
78 |
|
[UFT]A:24 |
1 |
1 |
436 |
f |
[CFL]A:12 |
x,y,z |
1_555 |
1 |
1 |
434 |
3.1 |
0.0 |
0.350 |
0 |
0 |
0 |
0.000 |
75 |
79 |
|
[UFT]A:23 |
1 |
1 |
429 |
f |
[CFL]A:9 |
x,y,z |
1_555 |
1 |
1 |
424 |
1.9 |
-0.2 |
0.250 |
0 |
0 |
0 |
0.005 |
76 |
80 |
|
[CFL]A:9 |
1 |
1 |
424 |
f |
[CFL]A:12 |
x,y,z |
1_555 |
1 |
1 |
434 |
1.8 |
0.0 |
0.350 |
0 |
0 |
0 |
0.000 |
77 |
81 |
|
[CFL]A:9 |
1 |
1 |
424 |
f |
[CFL]A:29 |
x,y,z |
1_555 |
1 |
1 |
425 |
1.7 |
0.0 |
0.350 |
0 |
0 |
0 |
0.000 |
78 |
82 |
|
[CFL]A:9 |
1 |
1 |
424 |
f |
[CFL]A:22 |
x,y,z |
1_555 |
2 |
1 |
418 |
1.3 |
-0.1 |
0.323 |
0 |
0 |
0 |
0.002 |
79 |
83 |
|
[CFL]A:8 |
1 |
1 |
433 |
f |
[CFL]A:29 |
x,y,z |
1_555 |
1 |
1 |
425 |
1.0 |
0.0 |
0.350 |
0 |
0 |
0 |
0.000 |
80 |
84 |
|
[CFL]A:22 |
1 |
1 |
418 |
◊ |
A |
-x,y,-z-1/2 |
3_554 |
1 |
1 |
5125 |
0.8 |
0.0 |
0.416 |
0 |
0 |
0 |
0.000 |
81 |
85 |
|
[CFL]A:32 |
1 |
1 |
427 |
◊ |
H |
x,y,z |
1_555 |
1 |
1 |
10825 |
0.8 |
0.0 |
0.426 |
0 |
0 |
0 |
0.000 |
82 |
86 |
|
[CFL]A:30 |
1 |
1 |
425 |
f |
[CFL]A:28 |
x,y,z |
1_555 |
1 |
1 |
433 |
0.8 |
-0.1 |
0.350 |
0 |
0 |
0 |
0.001 |
83 |
87 |
|
[UFT]A:36 |
1 |
1 |
434 |
f |
[CFL]A:34 |
x,y,z |
1_555 |
2 |
1 |
429 |
0.7 |
0.0 |
0.333 |
0 |
0 |
0 |
0.000 |
84 |
88 |
|
[CFL]A:12 |
1 |
1 |
434 |
◊ |
A |
-x-1,y,-z-1/2 |
3_454 |
1 |
1 |
5125 |
0.5 |
0.0 |
0.329 |
0 |
0 |
0 |
0.000 |
85 |
89 |
|
[UFT]A:17 |
1 |
1 |
427 |
◊ |
H |
-x,y,-z-1/2 |
3_554 |
1 |
1 |
10825 |
0.1 |
0.0 |
0.508 |
0 |
0 |
0 |
0.000 |
|