| ## |
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 |
|
H |
132 |
38 |
12565 |
◊ |
L |
x,y,z |
1_555 |
102 |
24 |
3116 |
1140.6 |
-6.4 |
0.479 |
25 |
9 |
1 |
0.608 |
| 2 |
2 |
|
B |
86 |
11 |
4134 |
◊ |
H |
x,y,z |
1_555 |
79 |
23 |
12565 |
742.2 |
-7.9 |
0.607 |
15 |
0 |
0 |
0.730 |
| 3 |
3 |
|
[0G6]H:1 |
26 |
1 |
663 |
cf |
H |
x,y,z |
1_555 |
72 |
26 |
12565 |
450.1 |
-1.0 |
0.354 |
8 |
0 |
0 |
0.228 |
| 4 |
4 |
|
H |
30 |
9 |
12565 |
x |
H |
x-1/2,-y-1/2,-z-1 |
4_444 |
34 |
9 |
12565 |
322.9 |
-2.5 |
0.262 |
1 |
4 |
0 |
0.000 |
| 5 |
5 |
|
H |
37 |
10 |
12565 |
◊ |
L |
x,y,z-1 |
1_554 |
30 |
7 |
3116 |
274.0 |
0.2 |
0.709 |
1 |
1 |
0 |
0.000 |
| 6 |
6 |
|
H |
31 |
10 |
12565 |
◊ |
[P6G]H:1003 |
x-1/2,-y-1/2,-z-1 |
4_444 |
17 |
1 |
572 |
254.8 |
2.8 |
0.316 |
2 |
0 |
0 |
0.000 |
| 7 |
7 |
|
[CFL]B:6 |
18 |
1 |
445 |
◊ |
H |
x,y,z |
1_555 |
25 |
7 |
12565 |
202.8 |
2.6 |
0.556 |
2 |
0 |
0 |
0.000 |
| 8 |
8 |
|
[UFT]B:12 |
19 |
1 |
429 |
cf |
B |
x,y,z |
1_555 |
25 |
3 |
4134 |
182.6 |
3.2 |
0.686 |
2 |
0 |
0 |
0.000 |
| 9 |
9 |
|
[CFL]B:23 |
14 |
1 |
436 |
cf |
B |
x,y,z |
1_555 |
26 |
6 |
4134 |
181.0 |
2.3 |
0.693 |
3 |
0 |
0 |
0.000 |
| 10 |
10 |
|
B |
21 |
3 |
4134 |
◊ |
B |
-x,-y-1,z |
2_545 |
21 |
3 |
4134 |
167.4 |
0.3 |
0.766 |
0 |
0 |
0 |
0.000 |
| 11 |
11 |
|
[CFL]B:11 |
17 |
1 |
433 |
cf |
B |
x,y,z |
1_555 |
24 |
4 |
4134 |
167.3 |
3.1 |
0.701 |
3 |
0 |
0 |
0.000 |
| 12 |
12 |
|
H |
17 |
6 |
12565 |
x |
H |
x,y,z-1 |
1_554 |
26 |
12 |
12565 |
161.6 |
1.1 |
0.530 |
2 |
0 |
0 |
0.000 |
| 13 |
13 |
|
[UFT]B:21 |
16 |
1 |
428 |
cf |
B |
x,y,z |
1_555 |
23 |
6 |
4134 |
157.9 |
2.5 |
0.663 |
2 |
0 |
0 |
0.000 |
| 14 |
14 |
|
[P6G]H:1003 |
11 |
1 |
572 |
f |
H |
x,y,z |
1_555 |
21 |
7 |
12565 |
155.0 |
-2.6 |
0.119 |
3 |
0 |
0 |
0.196 |
| 15 |
15 |
|
[CFL]B:19 |
13 |
1 |
433 |
cf |
B |
x,y,z |
1_555 |
26 |
5 |
4134 |
153.4 |
2.1 |
0.685 |
3 |
0 |
0 |
0.000 |
| 16 |
16 |
|
[CFL]B:6 |
12 |
1 |
445 |
cf |
B |
x,y,z |
1_555 |
19 |
4 |
4134 |
149.1 |
-2.4 |
0.295 |
1 |
0 |
0 |
0.142 |
| 17 |
17 |
|
B |
16 |
4 |
4134 |
◊ |
H |
x-1/2,-y-1/2,-z-2 |
4_443 |
15 |
7 |
12565 |
139.8 |
-1.1 |
0.607 |
2 |
0 |
0 |
0.000 |
| 18 |
18 |
|
L |
9 |
3 |
3116 |
◊ |
H |
x-1/2,-y-1/2,-z-1 |
4_444 |
13 |
3 |
12565 |
137.4 |
-3.0 |
0.129 |
1 |
0 |
0 |
0.000 |
| 19 |
19 |
|
[CFL]B:25 |
18 |
1 |
441 |
cf |
B |
x,y,z |
1_555 |
15 |
3 |
4134 |
136.4 |
0.7 |
0.528 |
5 |
0 |
0 |
0.078 |
| 20 |
20 |
|
[UFT]B:20 |
13 |
1 |
428 |
f |
B |
x,y,z |
1_555 |
16 |
5 |
4134 |
123.5 |
0.6 |
0.537 |
2 |
0 |
0 |
0.015 |
| 21 |
21 |
|
[CFL]B:24 |
14 |
1 |
440 |
cf |
[CFL]B:23 |
x,y,z |
1_555 |
14 |
1 |
436 |
113.4 |
2.2 |
0.477 |
0 |
0 |
0 |
0.000 |
22 |
|
[CFL]B:25 |
14 |
1 |
441 |
cf |
[CFL]B:24 |
x,y,z |
1_555 |
15 |
1 |
440 |
112.5 |
2.3 |
0.476 |
0 |
0 |
0 |
0.000 |
| Average: |
112.9 |
2.3 |
0.477 |
0 |
0 |
0 |
0.000 |
| 22 |
23 |
|
[UFT]B:21 |
14 |
1 |
428 |
cf |
[UFT]B:20 |
x,y,z |
1_555 |
16 |
1 |
428 |
113.0 |
2.0 |
0.509 |
0 |
0 |
0 |
0.000 |
| 23 |
24 |
|
[UFT]B:17 |
11 |
1 |
426 |
cf |
B |
x,y,z |
1_555 |
11 |
2 |
4134 |
108.9 |
-0.1 |
0.518 |
0 |
0 |
0 |
0.004 |
| 24 |
25 |
|
[UFT]B:12 |
14 |
1 |
429 |
cf |
[CFL]B:11 |
x,y,z |
1_555 |
14 |
1 |
433 |
106.5 |
2.5 |
0.525 |
0 |
0 |
0 |
0.000 |
| 25 |
26 |
|
[UFT]B:20 |
13 |
1 |
428 |
cf |
[CFL]B:19 |
x,y,z |
1_555 |
14 |
1 |
433 |
93.2 |
1.5 |
0.474 |
0 |
0 |
0 |
0.000 |
| 26 |
27 |
|
[CFL]B:24 |
10 |
1 |
440 |
f |
B |
x,y,z |
1_555 |
12 |
4 |
4134 |
90.8 |
1.5 |
0.626 |
4 |
0 |
0 |
0.016 |
| 27 |
28 |
|
[PEG]B:103 |
7 |
1 |
264 |
f |
B |
x,y,z |
1_555 |
13 |
4 |
4134 |
85.3 |
2.6 |
0.344 |
0 |
0 |
0 |
0.000 |
| 28 |
29 |
|
[CFL]B:25 |
14 |
1 |
441 |
◊ |
B |
-x,-y-1,z |
2_545 |
11 |
1 |
4134 |
83.9 |
3.1 |
0.668 |
0 |
0 |
0 |
0.000 |
| 29 |
30 |
|
[PEG]L:305 |
6 |
1 |
269 |
f |
H |
x,y,z |
1_555 |
12 |
4 |
12565 |
81.4 |
1.0 |
0.238 |
2 |
0 |
0 |
0.000 |
| 30 |
31 |
|
[PEG]B:104 |
6 |
1 |
265 |
f |
H |
x-1/2,-y-1/2,-z-2 |
4_443 |
16 |
5 |
12565 |
68.6 |
1.3 |
0.222 |
2 |
0 |
0 |
0.000 |
| 31 |
32 |
|
[PEG]L:305 |
7 |
1 |
269 |
◊ |
B |
x,y,z |
1_555 |
11 |
1 |
4134 |
66.9 |
1.8 |
0.249 |
0 |
0 |
0 |
0.000 |
| 32 |
33 |
|
[UFT]B:17 |
6 |
1 |
426 |
◊ |
H |
x-1/2,-y-1/2,-z-1 |
4_444 |
7 |
2 |
12565 |
66.1 |
0.7 |
0.547 |
2 |
0 |
0 |
0.000 |
| 33 |
34 |
|
[MG]H:1002 |
1 |
1 |
98 |
f |
H |
x,y,z |
1_555 |
18 |
11 |
12565 |
62.7 |
-8.6 |
0.000 |
0 |
0 |
0 |
0.433 |
| 34 |
35 |
|
[PEG]L:305 |
4 |
1 |
269 |
◊ |
L |
x,y,z |
1_555 |
8 |
4 |
3116 |
58.7 |
2.3 |
0.532 |
1 |
0 |
0 |
0.000 |
| 35 |
36 |
|
[UFT]B:12 |
6 |
1 |
429 |
◊ |
H |
x-1/2,-y-1/2,-z-2 |
4_443 |
9 |
3 |
12565 |
58.4 |
0.4 |
0.526 |
0 |
0 |
0 |
0.000 |
| 36 |
37 |
|
[CFL]B:24 |
7 |
1 |
440 |
f |
[PEG]B:103 |
x,y,z |
1_555 |
6 |
1 |
264 |
58.0 |
2.2 |
0.210 |
2 |
0 |
0 |
0.000 |
| 37 |
38 |
|
[UFT]B:17 |
9 |
1 |
426 |
f |
[CFL]B:19 |
x,y,z |
1_555 |
4 |
1 |
433 |
55.0 |
-0.2 |
0.297 |
1 |
0 |
0 |
0.032 |
| 38 |
39 |
|
[UFT]B:17 |
4 |
1 |
426 |
◊ |
H |
x,y,z |
1_555 |
8 |
3 |
12565 |
48.7 |
0.7 |
0.596 |
2 |
0 |
0 |
0.009 |
| 39 |
40 |
|
[CFL]B:19 |
10 |
1 |
433 |
◊ |
H |
x-1/2,-y-1/2,-z-2 |
4_443 |
7 |
2 |
12565 |
47.6 |
1.1 |
0.612 |
0 |
0 |
0 |
0.000 |
| 40 |
41 |
|
[MG]B:1000 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
10 |
4 |
4134 |
46.6 |
-7.5 |
0.000 |
0 |
0 |
0 |
0.377 |
| 41 |
42 |
|
[CFL]B:11 |
4 |
1 |
433 |
◊ |
[PEG]B:104 |
x,y,z |
1_555 |
4 |
1 |
265 |
39.7 |
1.9 |
0.322 |
1 |
0 |
0 |
0.000 |
| 42 |
43 |
|
[CFL]B:19 |
5 |
1 |
433 |
◊ |
[PEG]B:104 |
x,y,z |
1_555 |
2 |
1 |
265 |
38.6 |
2.0 |
0.493 |
0 |
0 |
0 |
0.000 |
| 43 |
44 |
|
[UFT]B:12 |
6 |
1 |
429 |
◊ |
[PEG]B:104 |
x,y,z |
1_555 |
4 |
1 |
265 |
36.7 |
1.7 |
0.300 |
0 |
0 |
0 |
0.000 |
| 44 |
45 |
|
[CFL]B:11 |
2 |
1 |
433 |
◊ |
H |
x,y,z |
1_555 |
5 |
2 |
12565 |
35.2 |
0.6 |
0.529 |
1 |
0 |
0 |
0.000 |
| 45 |
46 |
|
[PEG]B:104 |
4 |
1 |
265 |
◊ |
B |
x,y,z |
1_555 |
4 |
3 |
4134 |
35.2 |
1.7 |
0.350 |
0 |
0 |
0 |
0.000 |
| 46 |
47 |
|
[UFT]B:12 |
4 |
1 |
429 |
◊ |
H |
x,y,z |
1_555 |
6 |
3 |
12565 |
34.9 |
0.9 |
0.519 |
1 |
0 |
0 |
0.000 |
| 47 |
48 |
|
B |
6 |
2 |
4134 |
◊ |
H |
x-1/2,-y-1/2,-z-1 |
4_444 |
2 |
1 |
12565 |
34.4 |
1.1 |
0.795 |
0 |
0 |
0 |
0.000 |
| 48 |
49 |
|
[CFL]B:23 |
4 |
1 |
436 |
f |
[PEG]B:103 |
x,y,z |
1_555 |
4 |
1 |
264 |
34.2 |
0.6 |
0.177 |
1 |
0 |
0 |
0.000 |
| 49 |
50 |
|
[CFL]B:19 |
5 |
1 |
433 |
f |
[CFL]B:11 |
x,y,z |
1_555 |
6 |
1 |
433 |
33.2 |
0.8 |
0.482 |
0 |
0 |
0 |
0.000 |
| 50 |
51 |
|
[UFT]B:20 |
7 |
1 |
428 |
◊ |
[PEG]B:104 |
x,y,z |
1_555 |
2 |
1 |
265 |
32.0 |
1.4 |
0.417 |
0 |
0 |
0 |
0.000 |
| 51 |
52 |
|
[MG]B:1000 |
1 |
1 |
98 |
◊ |
H |
x,y,z |
1_555 |
8 |
4 |
12565 |
29.8 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.142 |
| 52 |
53 |
|
L |
7 |
1 |
3116 |
◊ |
[P6G]H:1003 |
x-1/2,-y-1/2,-z-1 |
4_444 |
3 |
1 |
572 |
27.9 |
0.6 |
0.563 |
0 |
0 |
0 |
0.000 |
| 53 |
54 |
|
[UFT]B:17 |
2 |
1 |
426 |
◊ |
H |
x-1/2,-y-1/2,-z-2 |
4_443 |
2 |
2 |
12565 |
24.9 |
-1.2 |
0.250 |
0 |
0 |
0 |
0.000 |
| 54 |
55 |
|
H |
2 |
2 |
12565 |
x |
H |
x-1/2,-y-1/2,-z-2 |
4_443 |
3 |
2 |
12565 |
23.6 |
-0.1 |
0.509 |
0 |
0 |
0 |
0.000 |
| 55 |
56 |
|
[PEG]L:305 |
2 |
1 |
269 |
◊ |
H |
x-1/2,-y-1/2,-z-1 |
4_444 |
2 |
1 |
12565 |
21.7 |
1.4 |
0.556 |
0 |
0 |
0 |
0.000 |
| 56 |
57 |
|
[CFL]B:25 |
4 |
1 |
441 |
f |
[PEG]B:103 |
x,y,z |
1_555 |
1 |
1 |
264 |
14.9 |
0.2 |
0.331 |
0 |
0 |
0 |
0.000 |
| 57 |
58 |
|
[CFL]B:19 |
1 |
1 |
433 |
◊ |
H |
x,y,z |
1_555 |
2 |
1 |
12565 |
9.4 |
0.3 |
0.524 |
0 |
0 |
0 |
0.000 |
| 58 |
59 |
|
[CFL]B:11 |
1 |
1 |
433 |
◊ |
H |
x-1/2,-y-1/2,-z-2 |
4_443 |
1 |
1 |
12565 |
6.3 |
0.2 |
0.538 |
0 |
0 |
0 |
0.000 |
|