| ## |
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 |
|
B |
221 |
62 |
22966 |
◊ |
B |
-y+1/2,x+1/2,z |
3_555 |
225 |
70 |
22966 |
2212.5 |
-31.3 |
0.355 |
22 |
14 |
0 |
0.000 |
| 2 |
2 |
|
H |
222 |
64 |
22647 |
◊ |
H |
-y+1/2,x+1/2,z |
3_555 |
213 |
67 |
22647 |
2194.6 |
-29.9 |
0.446 |
26 |
12 |
0 |
0.000 |
| 3 |
3 |
|
G |
90 |
24 |
14380 |
◊ |
G |
-y+1/2,x+1/2,z |
3_555 |
103 |
29 |
14380 |
933.5 |
-0.7 |
0.742 |
24 |
13 |
0 |
0.000 |
4 |
|
A |
93 |
26 |
14381 |
◊ |
A |
-y+1/2,x+1/2,z |
3_555 |
99 |
29 |
14381 |
918.3 |
-0.9 |
0.712 |
20 |
15 |
0 |
0.000 |
| Average: |
925.9 |
-0.8 |
0.727 |
22 |
14 |
0 |
0.000 |
| 4 |
5 |
|
Y |
158 |
32 |
3022 |
◊ |
Y |
-y+1/2,x+1/2,z |
3_555 |
174 |
34 |
3022 |
669.8 |
-6.9 |
0.336 |
30 |
2 |
1 |
0.000 |
| 5 |
6 |
|
[NAP]A:1001 |
48 |
1 |
898 |
◊ |
A |
x,y,z |
1_555 |
87 |
33 |
14381 |
634.8 |
-1.9 |
0.609 |
22 |
0 |
0 |
0.000 |
7 |
|
[NAP]G:1001 |
48 |
1 |
892 |
◊ |
G |
x,y,z |
1_555 |
92 |
33 |
14380 |
627.4 |
-4.0 |
0.536 |
18 |
0 |
0 |
0.000 |
| Average: |
631.1 |
-3.0 |
0.573 |
20 |
0 |
0 |
0.000 |
| 6 |
8 |
|
Y |
152 |
33 |
3022 |
◊ |
Y |
-x,-y+1,z |
2_565 |
150 |
33 |
3022 |
593.2 |
-2.6 |
0.572 |
31 |
2 |
0 |
0.000 |
| 7 |
9 |
|
A |
65 |
20 |
14381 |
◊ |
G |
x-1/2,-y+1/2,-z+1 |
6_456 |
57 |
17 |
14380 |
568.6 |
-5.9 |
0.261 |
5 |
1 |
0 |
0.000 |
| 8 |
10 |
|
[PGW]B:517 |
31 |
1 |
862 |
◊ |
B |
x,y,z |
1_555 |
56 |
18 |
22966 |
495.1 |
4.8 |
0.670 |
4 |
0 |
0 |
0.000 |
| 9 |
11 |
|
G |
46 |
13 |
14380 |
◊ |
B |
-y+1/2,x+1/2,z |
3_555 |
40 |
9 |
22966 |
397.4 |
-1.5 |
0.728 |
9 |
2 |
0 |
0.000 |
| 10 |
12 |
|
B |
43 |
13 |
22966 |
◊ |
A |
x,y,z |
1_555 |
44 |
10 |
14381 |
390.0 |
-3.4 |
0.539 |
3 |
0 |
0 |
0.000 |
| 11 |
13 |
|
H |
43 |
12 |
22647 |
◊ |
G |
x,y,z |
1_555 |
44 |
11 |
14380 |
384.3 |
-2.5 |
0.662 |
5 |
0 |
0 |
0.000 |
| 12 |
14 |
|
B |
33 |
9 |
22966 |
◊ |
A |
-y,-x,-z+1 |
8_556 |
33 |
8 |
14381 |
300.1 |
-2.5 |
0.535 |
1 |
1 |
0 |
0.000 |
| 13 |
15 |
|
[PGW]H:505 |
17 |
1 |
618 |
◊ |
H |
x,y,z |
1_555 |
27 |
9 |
22647 |
205.6 |
2.4 |
0.174 |
0 |
0 |
0 |
0.000 |
| 14 |
16 |
|
[PGW]B:505 |
17 |
1 |
607 |
◊ |
B |
x,y,z |
1_555 |
28 |
9 |
22966 |
201.8 |
3.1 |
0.227 |
0 |
0 |
0 |
0.000 |
| 15 |
17 |
|
B |
20 |
7 |
22966 |
◊ |
[PGW]B:505 |
-y+1/2,x+1/2,z |
3_555 |
16 |
1 |
607 |
194.9 |
1.8 |
0.139 |
1 |
0 |
0 |
0.000 |
| 16 |
18 |
|
Y |
39 |
9 |
3022 |
◊ |
H |
-y+1/2,x+1/2,z |
3_555 |
36 |
11 |
22647 |
187.9 |
-2.5 |
0.389 |
2 |
0 |
0 |
0.000 |
| 17 |
19 |
|
H |
21 |
8 |
22647 |
◊ |
[PGW]H:505 |
-y+1/2,x+1/2,z |
3_555 |
16 |
1 |
618 |
187.7 |
2.5 |
0.194 |
1 |
0 |
0 |
0.000 |
| 18 |
20 |
|
B |
23 |
6 |
22966 |
◊ |
[PGW]B:515 |
-y+1/2,x+1/2,z |
3_555 |
21 |
1 |
579 |
178.1 |
2.4 |
0.349 |
1 |
0 |
0 |
0.000 |
| 19 |
21 |
|
[PGW]B:514 |
8 |
1 |
322 |
◊ |
B |
x,y,z |
1_555 |
26 |
8 |
22966 |
177.2 |
-2.2 |
0.421 |
0 |
0 |
0 |
0.000 |
| 20 |
22 |
|
[PGW]B:518 |
7 |
1 |
293 |
◊ |
B |
x,y,z |
1_555 |
27 |
11 |
22966 |
175.3 |
-2.2 |
0.469 |
0 |
0 |
0 |
0.000 |
| 21 |
23 |
|
Y |
24 |
9 |
3022 |
◊ |
H |
-x,-y+1,z |
2_565 |
34 |
11 |
22647 |
161.1 |
-1.2 |
0.528 |
2 |
0 |
0 |
0.000 |
| 22 |
24 |
|
[PGW]B:515 |
13 |
1 |
579 |
◊ |
B |
x,y,z |
1_555 |
19 |
7 |
22966 |
157.4 |
-2.9 |
0.141 |
2 |
0 |
0 |
0.000 |
| 23 |
25 |
|
[PGW]B:519 |
8 |
1 |
321 |
◊ |
B |
x,y,z |
1_555 |
17 |
8 |
22966 |
136.3 |
-1.9 |
0.370 |
0 |
0 |
0 |
0.000 |
| 24 |
26 |
|
A |
16 |
6 |
14381 |
◊ |
H |
-x,-y+1,z-1 |
2_564 |
12 |
3 |
22647 |
128.6 |
0.6 |
0.615 |
1 |
1 |
0 |
0.000 |
| 25 |
27 |
|
A |
13 |
4 |
14381 |
◊ |
B |
-y+1/2,x+1/2,z |
3_555 |
12 |
2 |
22966 |
127.9 |
-1.4 |
0.468 |
0 |
0 |
0 |
0.000 |
| 26 |
28 |
|
B |
21 |
9 |
22966 |
◊ |
[PGW]B:516 |
-y+1/2,x+1/2,z |
3_555 |
8 |
1 |
322 |
126.4 |
-3.0 |
0.384 |
0 |
0 |
0 |
0.000 |
| 27 |
29 |
|
G |
12 |
4 |
14380 |
◊ |
H |
-y+1/2,x+1/2,z |
3_555 |
13 |
2 |
22647 |
124.2 |
-1.7 |
0.424 |
0 |
0 |
0 |
0.000 |
| 28 |
30 |
|
A |
12 |
4 |
14381 |
◊ |
Y |
-x,-y+1,z-1 |
2_564 |
15 |
4 |
3022 |
119.9 |
0.9 |
0.761 |
0 |
0 |
0 |
0.000 |
| 29 |
31 |
|
[PGW]B:510 |
9 |
1 |
351 |
◊ |
B |
x,y,z |
1_555 |
14 |
6 |
22966 |
119.3 |
2.4 |
0.431 |
0 |
0 |
0 |
0.000 |
| 30 |
32 |
|
[PGW]B:508 |
8 |
1 |
352 |
◊ |
B |
x,y,z |
1_555 |
16 |
5 |
22966 |
118.3 |
2.8 |
0.580 |
0 |
0 |
0 |
0.000 |
| 31 |
33 |
|
[PGW]B:511 |
9 |
1 |
355 |
◊ |
B |
x,y,z |
1_555 |
13 |
5 |
22966 |
116.2 |
2.5 |
0.430 |
0 |
0 |
0 |
0.000 |
| 32 |
34 |
|
B |
17 |
7 |
22966 |
◊ |
[PGW]B:511 |
-y+1/2,x+1/2,z |
3_555 |
8 |
1 |
355 |
113.4 |
2.9 |
0.667 |
0 |
0 |
0 |
0.000 |
| 33 |
35 |
|
[PGW]B:512 |
7 |
1 |
295 |
◊ |
B |
x,y,z |
1_555 |
19 |
5 |
22966 |
110.6 |
2.7 |
0.662 |
0 |
0 |
0 |
0.000 |
| 34 |
36 |
|
B |
12 |
6 |
22966 |
◊ |
[PGW]B:507 |
-y+1/2,x+1/2,z |
3_555 |
9 |
1 |
353 |
108.5 |
2.6 |
0.472 |
0 |
0 |
0 |
0.000 |
| 35 |
37 |
|
B |
16 |
6 |
22966 |
◊ |
[PGW]B:506 |
-y+1/2,x+1/2,z |
3_555 |
9 |
1 |
352 |
107.6 |
2.8 |
0.691 |
0 |
0 |
0 |
0.000 |
| 36 |
38 |
|
[PGW]B:520 |
7 |
1 |
322 |
◊ |
B |
x,y,z |
1_555 |
17 |
5 |
22966 |
103.3 |
-0.1 |
0.533 |
0 |
0 |
0 |
0.000 |
| 37 |
39 |
|
H |
8 |
3 |
22647 |
◊ |
G |
y,x,-z+2 |
7_557 |
10 |
3 |
14380 |
102.5 |
-1.6 |
0.346 |
0 |
0 |
0 |
0.000 |
| 38 |
40 |
|
Y |
19 |
6 |
3022 |
◊ |
H |
x,y,z |
1_555 |
23 |
9 |
22647 |
101.5 |
-0.0 |
0.770 |
3 |
0 |
0 |
0.000 |
| 39 |
41 |
|
B |
8 |
4 |
22966 |
◊ |
[PGW]B:510 |
-y+1/2,x+1/2,z |
3_555 |
5 |
1 |
351 |
89.9 |
1.9 |
0.370 |
0 |
0 |
0 |
0.000 |
| 40 |
42 |
|
[PGW]B:507 |
5 |
1 |
353 |
◊ |
[PGW]B:506 |
x,y,z |
1_555 |
5 |
1 |
352 |
78.2 |
5.2 |
1.000 |
0 |
0 |
0 |
0.000 |
| 41 |
43 |
|
A |
12 |
4 |
14381 |
◊ |
Y |
-y+1/2,x+1/2,z-1 |
3_554 |
9 |
2 |
3022 |
77.9 |
0.7 |
0.723 |
1 |
4 |
0 |
0.000 |
| 42 |
44 |
|
B |
6 |
3 |
22966 |
◊ |
[PGW]B:509 |
-y+1/2,x+1/2,z |
3_555 |
9 |
1 |
353 |
74.0 |
1.3 |
0.330 |
0 |
0 |
0 |
0.000 |
| 43 |
45 |
|
[PGW]B:505 |
9 |
1 |
607 |
◊ |
[PGW]B:510 |
-y+1/2,x+1/2,z |
3_555 |
9 |
1 |
351 |
68.0 |
1.9 |
0.097 |
0 |
0 |
0 |
0.000 |
| 44 |
46 |
|
[PGW]B:509 |
7 |
1 |
353 |
◊ |
[PGW]B:507 |
x,y,z |
1_555 |
5 |
1 |
353 |
67.3 |
4.4 |
1.000 |
0 |
0 |
0 |
0.000 |
| 45 |
47 |
|
[K]B:503 |
1 |
1 |
216 |
◊ |
[K]B:502 |
x,y,z |
1_555 |
1 |
1 |
216 |
66.7 |
-66.7 |
0.000 |
0 |
0 |
0 |
0.000 |
| 46 |
48 |
|
[PGW]B:508 |
5 |
1 |
352 |
◊ |
[PGW]B:506 |
x,y,z |
1_555 |
9 |
1 |
352 |
66.7 |
4.4 |
1.000 |
0 |
0 |
0 |
0.000 |
| 47 |
49 |
|
[PGW]B:516 |
6 |
1 |
322 |
◊ |
B |
x,y,z |
1_555 |
6 |
4 |
22966 |
65.7 |
-1.8 |
0.252 |
0 |
0 |
0 |
0.000 |
| 48 |
50 |
|
[K]H:503 |
1 |
1 |
216 |
◊ |
[K]H:502 |
x,y,z |
1_555 |
1 |
1 |
216 |
61.3 |
-61.3 |
0.000 |
0 |
0 |
0 |
0.000 |
| 49 |
51 |
|
[K]H:502 |
1 |
1 |
216 |
◊ |
[K]H:501 |
x,y,z |
1_555 |
1 |
1 |
216 |
61.3 |
-61.3 |
0.000 |
0 |
0 |
0 |
0.000 |
| 50 |
52 |
|
[K]H:504 |
1 |
1 |
216 |
◊ |
[K]H:503 |
x,y,z |
1_555 |
1 |
1 |
216 |
61.3 |
-61.3 |
0.000 |
0 |
0 |
0 |
0.000 |
| 51 |
53 |
|
H |
19 |
7 |
22647 |
◊ |
Y |
-y+1/2,x+1/2,z |
3_555 |
16 |
4 |
3022 |
61.2 |
-0.5 |
0.483 |
0 |
0 |
0 |
0.000 |
| 52 |
54 |
|
[K]B:504 |
1 |
1 |
216 |
◊ |
[K]B:503 |
x,y,z |
1_555 |
1 |
1 |
216 |
59.9 |
-59.9 |
0.000 |
0 |
0 |
0 |
0.000 |
| 53 |
55 |
|
[K]B:502 |
1 |
1 |
216 |
◊ |
[K]B:501 |
x,y,z |
1_555 |
1 |
1 |
216 |
59.6 |
-59.6 |
0.000 |
0 |
0 |
0 |
0.000 |
| 54 |
56 |
|
[PGW]B:516 |
8 |
1 |
322 |
◊ |
[PGW]B:511 |
x,y,z |
1_555 |
6 |
1 |
355 |
57.9 |
1.1 |
0.598 |
0 |
0 |
0 |
0.000 |
| 55 |
57 |
|
[PGW]H:505 |
6 |
1 |
618 |
◊ |
H |
-y+1/2,x+1/2,z |
3_555 |
7 |
4 |
22647 |
56.9 |
-0.6 |
0.125 |
0 |
0 |
0 |
0.000 |
| 56 |
58 |
|
[K]B:501 |
1 |
1 |
216 |
◊ |
B |
x,y,z |
1_555 |
10 |
4 |
22966 |
56.7 |
-34.5 |
0.000 |
0 |
0 |
0 |
0.000 |
| 57 |
59 |
|
[K]H:502 |
1 |
1 |
216 |
◊ |
H |
x,y,z |
1_555 |
12 |
5 |
22647 |
56.3 |
-39.1 |
0.000 |
0 |
0 |
0 |
0.000 |
| 58 |
60 |
|
[K]B:502 |
1 |
1 |
216 |
◊ |
B |
x,y,z |
1_555 |
13 |
5 |
22966 |
56.1 |
-37.5 |
0.000 |
0 |
0 |
0 |
0.000 |
| 59 |
61 |
|
[K]H:503 |
1 |
1 |
216 |
◊ |
H |
x,y,z |
1_555 |
12 |
3 |
22647 |
56.0 |
-38.1 |
0.000 |
0 |
0 |
0 |
0.000 |
| 60 |
62 |
|
[K]B:503 |
1 |
1 |
216 |
◊ |
B |
x,y,z |
1_555 |
11 |
3 |
22966 |
54.7 |
-36.7 |
0.000 |
0 |
0 |
0 |
0.000 |
| 61 |
63 |
|
[PGW]B:509 |
5 |
1 |
353 |
◊ |
[PGW]B:505 |
x,y,z |
1_555 |
5 |
1 |
607 |
54.1 |
3.1 |
0.520 |
0 |
0 |
0 |
0.000 |
| 62 |
64 |
|
[K]H:501 |
1 |
1 |
216 |
◊ |
H |
x,y,z |
1_555 |
10 |
4 |
22647 |
51.3 |
-36.0 |
0.000 |
0 |
0 |
0 |
0.000 |
| 63 |
65 |
|
[K]B:504 |
1 |
1 |
216 |
◊ |
B |
x,y,z |
1_555 |
9 |
3 |
22966 |
48.9 |
-32.1 |
0.000 |
0 |
0 |
0 |
0.000 |
| 64 |
66 |
|
[PGW]B:506 |
6 |
1 |
352 |
◊ |
B |
x,y,z |
1_555 |
3 |
2 |
22966 |
47.4 |
0.8 |
0.327 |
0 |
0 |
0 |
0.000 |
| 65 |
67 |
|
[K]H:504 |
1 |
1 |
216 |
◊ |
H |
x,y,z |
1_555 |
9 |
3 |
22647 |
47.3 |
-30.3 |
0.000 |
0 |
0 |
0 |
0.000 |
| 66 |
68 |
|
[PGW]B:512 |
4 |
1 |
295 |
◊ |
[PGW]B:515 |
-y+1/2,x+1/2,z |
3_555 |
5 |
1 |
579 |
46.5 |
3.1 |
0.724 |
0 |
0 |
0 |
0.000 |
| 67 |
69 |
|
[PGW]B:508 |
3 |
1 |
352 |
◊ |
[PGW]B:507 |
x,y,z |
1_555 |
7 |
1 |
353 |
40.1 |
2.7 |
1.000 |
0 |
0 |
0 |
0.000 |
| 68 |
70 |
|
[PGW]B:512 |
2 |
1 |
295 |
◊ |
[PGW]B:511 |
x,y,z |
1_555 |
2 |
1 |
355 |
35.4 |
2.3 |
1.000 |
0 |
0 |
0 |
0.000 |
| 69 |
71 |
|
A |
2 |
1 |
14381 |
◊ |
H |
x,y,z-1 |
1_554 |
7 |
2 |
22647 |
32.7 |
0.6 |
0.862 |
0 |
0 |
0 |
0.000 |
| 70 |
72 |
|
B |
5 |
3 |
22966 |
◊ |
B |
-y,-x,-z+1 |
8_556 |
5 |
3 |
22966 |
28.5 |
0.3 |
0.804 |
0 |
0 |
0 |
0.000 |
| 71 |
73 |
|
[K]H:501 |
1 |
1 |
216 |
◊ |
Y |
x,y,z |
1_555 |
4 |
2 |
3022 |
27.0 |
-20.5 |
0.000 |
0 |
0 |
0 |
0.000 |
| 72 |
74 |
|
[PGW]B:509 |
2 |
1 |
353 |
◊ |
[PGW]B:510 |
-y+1/2,x+1/2,z |
3_555 |
2 |
1 |
351 |
24.2 |
1.6 |
1.000 |
0 |
0 |
0 |
0.000 |
| 73 |
75 |
|
[PGW]B:517 |
1 |
1 |
862 |
◊ |
[PGW]B:516 |
x,y,z |
1_555 |
3 |
1 |
322 |
23.0 |
0.5 |
0.657 |
0 |
0 |
0 |
0.000 |
| 74 |
76 |
|
[PGW]B:510 |
2 |
1 |
351 |
◊ |
B |
-x,-y+1,z |
2_565 |
1 |
1 |
22966 |
20.6 |
0.3 |
0.397 |
0 |
0 |
0 |
0.000 |
| 75 |
77 |
|
[K]B:503 |
1 |
1 |
216 |
◊ |
[K]B:501 |
x,y,z |
1_555 |
1 |
1 |
216 |
17.5 |
-17.5 |
0.000 |
0 |
0 |
0 |
0.000 |
| 76 |
78 |
|
[K]B:504 |
1 |
1 |
216 |
◊ |
[K]B:502 |
x,y,z |
1_555 |
1 |
1 |
216 |
17.4 |
-17.4 |
0.000 |
0 |
0 |
0 |
0.000 |
| 77 |
79 |
|
[K]H:503 |
1 |
1 |
216 |
◊ |
[K]H:501 |
x,y,z |
1_555 |
1 |
1 |
216 |
12.9 |
-12.9 |
0.000 |
0 |
0 |
0 |
0.000 |
| 78 |
80 |
|
[K]H:504 |
1 |
1 |
216 |
◊ |
[K]H:502 |
x,y,z |
1_555 |
1 |
1 |
216 |
12.9 |
-12.9 |
0.000 |
0 |
0 |
0 |
0.000 |
| 79 |
81 |
|
[PGW]B:509 |
2 |
1 |
353 |
◊ |
[PGW]B:513 |
-y+1/2,x+1/2,z |
3_555 |
2 |
1 |
352 |
12.8 |
0.8 |
1.000 |
0 |
0 |
0 |
0.000 |
| 80 |
82 |
|
[PGW]B:511 |
1 |
1 |
355 |
◊ |
[PGW]B:505 |
x,y,z |
1_555 |
1 |
1 |
607 |
9.5 |
0.6 |
0.707 |
0 |
0 |
0 |
0.000 |
| 81 |
83 |
|
[NAP]A:1001 |
2 |
1 |
898 |
◊ |
G |
x-1/2,-y+1/2,-z+1 |
6_456 |
1 |
1 |
14380 |
5.6 |
0.2 |
0.680 |
0 |
0 |
0 |
0.000 |
| 82 |
84 |
|
B |
2 |
2 |
22966 |
◊ |
[PGW]B:517 |
-y+1/2,x+1/2,z |
3_555 |
1 |
1 |
862 |
3.9 |
0.1 |
0.509 |
0 |
0 |
0 |
0.000 |
| 83 |
85 |
|
[PGW]B:513 |
1 |
1 |
352 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
22966 |
2.3 |
0.0 |
0.701 |
0 |
0 |
0 |
0.000 |
| 84 |
86 |
|
B |
1 |
1 |
22966 |
◊ |
B |
-x,-y+1,z |
2_565 |
1 |
1 |
22966 |
1.8 |
0.0 |
0.800 |
0 |
0 |
0 |
0.000 |
| 85 |
87 |
|
Y |
1 |
1 |
3022 |
◊ |
A |
-y+1/2,x+1/2,z+1 |
3_556 |
2 |
1 |
14381 |
0.8 |
-0.0 |
0.655 |
0 |
0 |
0 |
0.000 |
| 86 |
88 |
|
A |
1 |
1 |
14381 |
◊ |
Y |
x,y,z-1 |
1_554 |
1 |
1 |
3022 |
0.5 |
0.0 |
0.717 |
0 |
0 |
0 |
0.000 |
|