| ## |
Structure 1 |
× |
Structure 2 |
interface area, Å2 |
ΔiG kcal/mol |
ΔiG P-value |
NHB |
NSB |
NDS |
CSS |
| NN |
«» |
Range |
iNat |
iNres |
Surface Å2 |
Range |
Symmetry op-n |
Sym.ID |
iNat |
iNres |
Surface Å2 |
1 |
|
A |
370 |
75 |
211034 |
◊ |
L |
x,y,z |
1_555 |
296 |
76 |
9538 |
3097.2 |
-56.6 |
0.828 |
66 |
0 |
0 |
0.070 |
2 |
|
A |
353 |
61 |
211034 |
◊ |
D |
x,y,z |
1_555 |
300 |
77 |
12084 |
3051.0 |
-55.1 |
0.734 |
81 |
0 |
0 |
0.072 |
3 |
|
A |
334 |
61 |
211034 |
◊ |
I |
x,y,z |
1_555 |
262 |
58 |
8504 |
2812.6 |
-54.3 |
0.798 |
52 |
0 |
0 |
0.065 |
4 |
|
A |
328 |
58 |
211034 |
◊ |
Q |
x,y,z |
1_555 |
232 |
53 |
7586 |
2625.9 |
-45.0 |
0.770 |
36 |
0 |
0 |
0.057 |
5 |
|
A |
303 |
64 |
211034 |
◊ |
T |
x,y,z |
1_555 |
251 |
62 |
7179 |
2586.7 |
-55.6 |
0.547 |
44 |
0 |
0 |
0.066 |
6 |
|
A |
295 |
53 |
211034 |
◊ |
P |
x,y,z |
1_555 |
250 |
55 |
5612 |
2556.3 |
-45.2 |
0.646 |
48 |
0 |
0 |
0.060 |
7 |
|
A |
238 |
42 |
211034 |
◊ |
E |
x,y,z |
1_555 |
190 |
55 |
8444 |
1972.0 |
-37.3 |
0.667 |
38 |
0 |
0 |
0.052 |
8 |
|
A |
210 |
36 |
211034 |
◊ |
M |
x,y,z |
1_555 |
193 |
50 |
8437 |
1956.4 |
-47.6 |
0.391 |
50 |
0 |
0 |
0.062 |
9 |
|
A |
257 |
47 |
211034 |
◊ |
N |
x,y,z |
1_555 |
172 |
38 |
5707 |
1890.1 |
-29.6 |
0.878 |
43 |
0 |
0 |
0.049 |
10 |
|
A |
225 |
42 |
211034 |
◊ |
K |
x,y,z |
1_555 |
171 |
43 |
7307 |
1853.8 |
-33.6 |
0.762 |
38 |
0 |
0 |
0.048 |
11 |
|
A |
227 |
40 |
211034 |
◊ |
H |
x,y,z |
1_555 |
183 |
49 |
8290 |
1802.3 |
-31.7 |
0.351 |
27 |
0 |
0 |
0.044 |
12 |
|
A |
216 |
40 |
211034 |
◊ |
O |
x,y,z |
1_555 |
187 |
45 |
6511 |
1788.7 |
-36.7 |
0.597 |
31 |
0 |
0 |
0.049 |
13 |
|
A |
233 |
44 |
211034 |
◊ |
G |
x,y,z |
1_555 |
173 |
47 |
10322 |
1785.9 |
-24.4 |
0.902 |
38 |
0 |
0 |
0.042 |
14 |
|
A |
230 |
42 |
211034 |
◊ |
J |
x,y,z |
1_555 |
175 |
44 |
7855 |
1785.7 |
-30.2 |
0.906 |
23 |
0 |
0 |
0.041 |
15 |
|
A |
199 |
37 |
211034 |
◊ |
C |
x,y,z |
1_555 |
167 |
45 |
11735 |
1756.2 |
-34.5 |
0.673 |
26 |
0 |
0 |
0.047 |
16 |
|
A |
204 |
39 |
211034 |
◊ |
S |
x,y,z |
1_555 |
168 |
30 |
6031 |
1569.0 |
-16.8 |
0.922 |
30 |
0 |
0 |
0.031 |
17 |
|
A |
161 |
34 |
211034 |
◊ |
U |
x,y,z |
1_555 |
120 |
22 |
2440 |
1320.3 |
-30.0 |
0.405 |
31 |
0 |
0 |
0.044 |
18 |
|
A |
145 |
28 |
211034 |
x |
A |
-y+1/2,x-1/2,z+1/4 |
2_545 |
154 |
29 |
211034 |
1090.5 |
-29.0 |
0.932 |
8 |
0 |
0 |
0.000 |
19 |
|
A |
124 |
26 |
211034 |
◊ |
B |
x,y,z |
1_555 |
111 |
35 |
12455 |
1088.7 |
-15.3 |
0.825 |
22 |
0 |
0 |
0.025 |
20 |
|
R |
114 |
26 |
5560 |
◊ |
F |
x,y,z |
1_555 |
106 |
24 |
6955 |
1026.1 |
-8.2 |
0.126 |
17 |
2 |
0 |
0.016 |
21 |
|
A |
100 |
21 |
211034 |
◊ |
R |
x,y,z |
1_555 |
87 |
22 |
5560 |
895.8 |
-22.7 |
0.335 |
18 |
0 |
0 |
0.031 |
22 |
|
N |
83 |
20 |
5707 |
◊ |
C |
x,y,z |
1_555 |
107 |
25 |
11735 |
845.8 |
-10.0 |
0.074 |
6 |
0 |
0 |
0.013 |
23 |
|
N |
79 |
18 |
5707 |
◊ |
J |
x,y,z |
1_555 |
83 |
19 |
7855 |
762.6 |
-9.4 |
0.235 |
10 |
5 |
0 |
0.015 |
24 |
|
H |
57 |
18 |
8290 |
◊ |
E |
x,y,z |
1_555 |
59 |
15 |
8444 |
558.1 |
-3.4 |
0.318 |
5 |
6 |
0 |
0.006 |
25 |
|
A |
68 |
12 |
211034 |
◊ |
F |
x,y,z |
1_555 |
61 |
19 |
6955 |
545.2 |
-7.1 |
0.776 |
11 |
0 |
0 |
0.012 |
26 |
|
B |
47 |
15 |
12455 |
◊ |
B |
y,x,-z |
6_555 |
45 |
15 |
12455 |
518.3 |
4.4 |
0.871 |
10 |
4 |
0 |
0.000 |
27 |
|
S |
40 |
10 |
6031 |
◊ |
M |
x,y,z |
1_555 |
41 |
11 |
8437 |
389.8 |
-2.7 |
0.329 |
2 |
0 |
0 |
0.000 |
28 |
|
J |
44 |
14 |
7855 |
◊ |
C |
x,y,z |
1_555 |
39 |
11 |
11735 |
386.7 |
-3.3 |
0.330 |
1 |
0 |
0 |
0.004 |
29 |
|
E |
39 |
14 |
8444 |
◊ |
D |
x,y,z |
1_555 |
40 |
12 |
12084 |
363.5 |
-1.3 |
0.371 |
4 |
3 |
0 |
0.003 |
30 |
|
[HYG]A:1717 |
32 |
1 |
643 |
f |
A |
x,y,z |
1_555 |
45 |
10 |
211034 |
361.5 |
-11.5 |
0.490 |
8 |
0 |
0 |
0.015 |
31 |
|
R |
36 |
9 |
5560 |
◊ |
K |
x,y,z |
1_555 |
42 |
13 |
7307 |
349.3 |
-0.5 |
0.568 |
5 |
2 |
0 |
0.003 |
32 |
|
[4OC]A:1402 |
22 |
1 |
495 |
cf |
A |
x,y,z |
1_555 |
55 |
10 |
211034 |
340.9 |
2.6 |
0.816 |
2 |
0 |
0 |
0.000 |
33 |
|
[UR3]A:1498 |
21 |
1 |
454 |
cf |
A |
x,y,z |
1_555 |
47 |
12 |
211034 |
326.9 |
-2.2 |
0.744 |
2 |
0 |
0 |
0.003 |
34 |
|
A |
37 |
8 |
211034 |
◊ |
M |
-y+1/2,x-1/2,z+1/4 |
2_545 |
37 |
12 |
8437 |
320.4 |
-5.5 |
0.521 |
2 |
0 |
0 |
0.000 |
35 |
|
[2MG]A:1207 |
24 |
1 |
513 |
cf |
A |
x,y,z |
1_555 |
47 |
7 |
211034 |
305.8 |
2.4 |
0.896 |
3 |
0 |
0 |
0.000 |
36 |
|
H |
28 |
8 |
8290 |
◊ |
B |
x,y,z |
1_555 |
39 |
10 |
12455 |
294.8 |
0.2 |
0.556 |
6 |
2 |
0 |
0.003 |
37 |
|
[7MG]A:527 |
24 |
1 |
518 |
cf |
A |
x,y,z |
1_555 |
46 |
9 |
211034 |
286.7 |
2.2 |
0.841 |
4 |
0 |
0 |
0.000 |
38 |
|
H |
35 |
11 |
8290 |
◊ |
D |
y,x,-z |
6_555 |
31 |
12 |
12084 |
281.6 |
3.8 |
0.512 |
4 |
0 |
0 |
0.000 |
39 |
|
I |
23 |
10 |
8504 |
◊ |
G |
x,y,z |
1_555 |
22 |
8 |
10322 |
264.9 |
-2.4 |
0.286 |
0 |
0 |
0 |
0.000 |
40 |
|
E |
28 |
11 |
8444 |
◊ |
E |
y,x,-z |
6_555 |
27 |
11 |
8444 |
262.1 |
4.8 |
0.906 |
4 |
2 |
0 |
0.000 |
41 |
|
[5MC]A:1404 |
21 |
1 |
451 |
cf |
A |
x,y,z |
1_555 |
35 |
6 |
211034 |
259.6 |
1.1 |
0.890 |
3 |
0 |
0 |
0.000 |
42 |
|
[PSU]A:516 |
20 |
1 |
421 |
cf |
A |
x,y,z |
1_555 |
41 |
5 |
211034 |
257.4 |
0.0 |
0.806 |
2 |
0 |
0 |
0.000 |
43 |
|
[5MC]A:1407 |
21 |
1 |
451 |
cf |
A |
x,y,z |
1_555 |
36 |
5 |
211034 |
256.7 |
0.2 |
0.872 |
4 |
0 |
0 |
0.002 |
44 |
|
[PSU]A:1540 |
19 |
1 |
419 |
cf |
A |
x,y,z |
1_555 |
40 |
9 |
211034 |
236.8 |
-2.5 |
0.745 |
1 |
0 |
0 |
0.003 |
45 |
|
Q |
22 |
5 |
7586 |
◊ |
L |
x,y,z |
1_555 |
22 |
6 |
9538 |
212.5 |
-3.9 |
0.152 |
0 |
0 |
0 |
0.003 |
46 |
|
K |
24 |
8 |
7307 |
◊ |
A |
x,y,z-1 |
1_554 |
27 |
4 |
211034 |
212.1 |
-2.3 |
0.695 |
3 |
0 |
0 |
0.000 |
47 |
|
K |
27 |
6 |
7307 |
◊ |
G |
x,y,z |
1_555 |
22 |
6 |
10322 |
206.7 |
-1.5 |
0.433 |
0 |
0 |
0 |
0.001 |
48 |
|
[5MC]A:967 |
17 |
1 |
453 |
cf |
A |
x,y,z |
1_555 |
24 |
4 |
211034 |
175.0 |
-0.3 |
0.667 |
1 |
0 |
0 |
0.000 |
49 |
|
J |
20 |
4 |
7855 |
◊ |
J |
-y+1,-x+1,-z+1/2 |
8_665 |
20 |
4 |
7855 |
169.2 |
-1.2 |
0.541 |
0 |
0 |
0 |
0.000 |
50 |
|
[5MC]A:1400 |
15 |
1 |
464 |
cf |
A |
x,y,z |
1_555 |
23 |
4 |
211034 |
165.7 |
0.0 |
0.825 |
1 |
0 |
0 |
0.000 |
51 |
|
[PSU]A:1541 |
16 |
1 |
427 |
cf |
A |
x,y,z |
1_555 |
24 |
9 |
211034 |
162.2 |
-3.0 |
0.606 |
1 |
0 |
0 |
0.003 |
52 |
|
[5MC]A:967 |
18 |
1 |
453 |
cf |
[M2G]A:966 |
x,y,z |
1_555 |
20 |
1 |
540 |
150.3 |
-0.1 |
0.717 |
0 |
0 |
0 |
0.000 |
53 |
|
J |
18 |
6 |
7855 |
◊ |
I |
x,y,z |
1_555 |
15 |
4 |
8504 |
146.5 |
-0.9 |
0.365 |
0 |
0 |
0 |
0.000 |
54 |
|
[K]A:1703 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
20 |
6 |
211034 |
135.1 |
-98.0 |
0.000 |
0 |
0 |
0 |
0.100 |
55 |
|
[K]A:1704 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
23 |
10 |
211034 |
132.1 |
-85.1 |
0.000 |
0 |
0 |
0 |
0.087 |
56 |
|
[K]A:1701 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
16 |
6 |
211034 |
130.6 |
-81.4 |
0.000 |
0 |
0 |
0 |
0.083 |
57 |
|
[K]A:1706 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
18 |
4 |
211034 |
126.9 |
-72.7 |
0.000 |
0 |
0 |
0 |
0.074 |
58 |
|
A |
17 |
4 |
211034 |
◊ |
I |
-y+1/2,x-1/2,z+1/4 |
2_545 |
10 |
3 |
8504 |
126.1 |
-2.1 |
0.608 |
5 |
0 |
0 |
0.000 |
59 |
|
[K]A:1705 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
24 |
7 |
211034 |
121.1 |
-72.3 |
0.000 |
0 |
0 |
0 |
0.073 |
60 |
|
Q |
18 |
5 |
7586 |
◊ |
H |
x,y,z |
1_555 |
17 |
4 |
8290 |
114.9 |
0.2 |
0.589 |
1 |
0 |
0 |
0.000 |
61 |
|
[PSU]A:1541 |
14 |
1 |
427 |
cf |
[PSU]A:1540 |
x,y,z |
1_555 |
15 |
1 |
419 |
114.5 |
1.4 |
0.739 |
1 |
0 |
0 |
0.000 |
62 |
|
[M2G]A:966 |
9 |
1 |
540 |
cf |
A |
x,y,z |
1_555 |
19 |
5 |
211034 |
108.0 |
-1.1 |
0.707 |
0 |
0 |
0 |
0.001 |
63 |
|
[K]A:1700 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
19 |
8 |
211034 |
107.6 |
-66.8 |
0.000 |
0 |
0 |
0 |
0.068 |
64 |
|
[K]A:1699 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
12 |
7 |
211034 |
96.8 |
-65.2 |
0.000 |
0 |
0 |
0 |
0.066 |
65 |
|
[K]A:1702 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
14 |
6 |
211034 |
89.0 |
-49.5 |
0.000 |
0 |
0 |
0 |
0.050 |
66 |
|
A |
9 |
2 |
211034 |
◊ |
G |
-y+1/2,x-1/2,z+1/4 |
2_545 |
11 |
3 |
10322 |
86.8 |
-1.0 |
0.563 |
0 |
0 |
0 |
0.000 |
67 |
|
[7MG]A:527 |
4 |
1 |
518 |
◊ |
L |
x,y,z |
1_555 |
11 |
5 |
9538 |
67.6 |
-0.7 |
0.484 |
1 |
0 |
0 |
0.000 |
68 |
|
U |
11 |
3 |
2440 |
◊ |
M |
x,y,z |
1_555 |
6 |
2 |
8437 |
66.2 |
-0.7 |
0.280 |
0 |
0 |
0 |
0.000 |
69 |
|
N |
12 |
1 |
5707 |
◊ |
I |
x,y,z |
1_555 |
7 |
1 |
8504 |
66.2 |
-0.3 |
0.520 |
0 |
0 |
0 |
0.000 |
70 |
|
E |
9 |
3 |
8444 |
◊ |
C |
x,y,z |
1_555 |
6 |
2 |
11735 |
65.8 |
1.0 |
0.637 |
1 |
1 |
0 |
0.000 |
71 |
|
A |
10 |
1 |
211034 |
◊ |
[5MC]A:1400 |
-y+1/2,x-1/2,z+1/4 |
2_545 |
6 |
1 |
464 |
60.3 |
0.7 |
0.773 |
0 |
0 |
0 |
0.000 |
72 |
|
L |
6 |
2 |
9538 |
◊ |
H |
x,y,z |
1_555 |
6 |
2 |
8290 |
60.2 |
-0.8 |
0.328 |
0 |
0 |
0 |
0.000 |
73 |
|
A |
7 |
2 |
211034 |
◊ |
M |
x-1/2,-y+1/2,-z-1/4 |
5_454 |
5 |
3 |
8437 |
56.5 |
-1.9 |
0.321 |
0 |
0 |
0 |
0.000 |
74 |
|
[K]A:1706 |
1 |
1 |
216 |
f |
[PSU]A:516 |
x,y,z |
1_555 |
7 |
1 |
421 |
50.0 |
-26.4 |
0.000 |
0 |
0 |
0 |
0.027 |
75 |
|
A |
6 |
1 |
211034 |
◊ |
[M2G]A:966 |
-y+1/2,x-1/2,z+1/4 |
2_545 |
12 |
1 |
540 |
48.6 |
0.2 |
0.670 |
0 |
0 |
0 |
0.000 |
76 |
|
A |
6 |
2 |
211034 |
◊ |
D |
y,x,-z |
6_555 |
6 |
3 |
12084 |
48.0 |
-0.3 |
0.607 |
1 |
0 |
0 |
0.000 |
77 |
|
[M2G]A:966 |
4 |
1 |
540 |
◊ |
I |
x,y,z |
1_555 |
6 |
2 |
8504 |
44.4 |
-1.8 |
0.336 |
0 |
0 |
0 |
0.002 |
78 |
|
[HYG]A:1717 |
5 |
1 |
643 |
f |
[UR3]A:1498 |
x,y,z |
1_555 |
4 |
1 |
454 |
39.4 |
-1.8 |
0.394 |
0 |
0 |
0 |
0.002 |
79 |
|
[K]A:1704 |
1 |
1 |
216 |
◊ |
P |
x,y,z |
1_555 |
5 |
1 |
5612 |
38.7 |
-20.1 |
0.000 |
0 |
0 |
0 |
0.018 |
80 |
|
[HYG]A:1717 |
4 |
1 |
643 |
f |
[5MC]A:1404 |
x,y,z |
1_555 |
2 |
1 |
451 |
29.0 |
0.7 |
0.606 |
0 |
0 |
0 |
0.000 |
81 |
|
[5MC]A:1400 |
2 |
1 |
464 |
f |
[M2G]A:966 |
x,y,z |
1_555 |
4 |
1 |
540 |
25.2 |
0.3 |
0.552 |
1 |
0 |
0 |
0.000 |
82 |
|
[UR3]A:1498 |
5 |
1 |
454 |
f |
[5MC]A:1404 |
x,y,z |
1_555 |
3 |
1 |
451 |
21.3 |
0.0 |
0.579 |
0 |
0 |
0 |
0.000 |
83 |
|
[HYG]A:1717 |
2 |
1 |
643 |
f |
[5MC]A:1407 |
x,y,z |
1_555 |
2 |
1 |
451 |
20.1 |
0.5 |
0.612 |
0 |
0 |
0 |
0.000 |
84 |
|
[UR3]A:1498 |
2 |
1 |
454 |
f |
[4OC]A:1402 |
x,y,z |
1_555 |
2 |
1 |
495 |
19.4 |
0.1 |
0.477 |
0 |
0 |
0 |
0.000 |
85 |
|
E |
1 |
1 |
8444 |
◊ |
B |
y,x,-z |
6_555 |
1 |
1 |
12455 |
18.0 |
1.0 |
0.935 |
1 |
1 |
0 |
0.000 |
86 |
|
[K]A:1703 |
1 |
1 |
216 |
◊ |
I |
x,y,z |
1_555 |
2 |
1 |
8504 |
16.0 |
-7.7 |
0.000 |
0 |
0 |
0 |
0.007 |
87 |
|
O |
2 |
1 |
6511 |
◊ |
F |
x,y,z |
1_555 |
3 |
1 |
6955 |
11.8 |
0.2 |
0.548 |
0 |
0 |
0 |
0.000 |
88 |
|
[2MG]A:1207 |
2 |
1 |
513 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
11735 |
10.0 |
0.3 |
0.627 |
0 |
0 |
0 |
0.000 |
89 |
|
[ZN]N:101 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
3 |
1 |
211034 |
9.2 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.004 |
90 |
|
Q |
3 |
2 |
7586 |
◊ |
O |
x,y,z |
1_555 |
1 |
1 |
6511 |
5.1 |
0.0 |
0.683 |
0 |
0 |
0 |
0.000 |
91 |
|
A |
1 |
1 |
211034 |
◊ |
[PSU]A:1541 |
-y+1/2,x-1/2,z+1/4 |
2_545 |
1 |
1 |
427 |
4.6 |
-0.1 |
0.431 |
0 |
0 |
0 |
0.000 |
92 |
|
A |
1 |
1 |
211034 |
x |
A |
x,y,z-1 |
1_554 |
1 |
1 |
211034 |
4.4 |
0.2 |
0.698 |
0 |
0 |
0 |
0.000 |
93 |
|
[K]A:1706 |
1 |
1 |
216 |
f |
[2MG]A:1207 |
x,y,z |
1_555 |
2 |
1 |
513 |
2.8 |
-1.5 |
0.000 |
0 |
0 |
0 |
0.001 |
94 |
|
[5MC]A:967 |
1 |
1 |
453 |
◊ |
I |
x,y,z |
1_555 |
2 |
1 |
8504 |
2.6 |
0.0 |
0.484 |
0 |
0 |
0 |
0.000 |
|