## |
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 |
382 |
74 |
211136 |
◊ |
L |
x,y,z |
1_555 |
310 |
77 |
9460 |
3290.1 |
-59.7 |
0.817 |
65 |
0 |
0 |
0.150 |
2 |
|
A |
359 |
60 |
211136 |
◊ |
D |
x,y,z |
1_555 |
296 |
80 |
12332 |
3043.0 |
-57.2 |
0.728 |
77 |
0 |
0 |
0.145 |
3 |
|
A |
328 |
62 |
211136 |
◊ |
I |
x,y,z |
1_555 |
257 |
60 |
8504 |
2845.3 |
-48.5 |
0.817 |
60 |
0 |
0 |
0.146 |
4 |
|
A |
315 |
65 |
211136 |
◊ |
T |
x,y,z |
1_555 |
254 |
60 |
7385 |
2691.8 |
-55.6 |
0.627 |
53 |
0 |
0 |
0.145 |
5 |
|
A |
328 |
59 |
211136 |
◊ |
Q |
x,y,z |
1_555 |
234 |
54 |
7625 |
2652.2 |
-42.4 |
0.862 |
50 |
0 |
0 |
0.137 |
6 |
|
A |
303 |
55 |
211136 |
◊ |
P |
x,y,z |
1_555 |
246 |
56 |
5678 |
2577.2 |
-46.6 |
0.664 |
50 |
0 |
0 |
0.141 |
7 |
|
A |
250 |
44 |
211136 |
◊ |
E |
x,y,z |
1_555 |
197 |
56 |
8623 |
2065.3 |
-39.3 |
0.688 |
43 |
0 |
0 |
0.130 |
8 |
|
A |
238 |
40 |
211136 |
◊ |
M |
x,y,z |
1_555 |
206 |
52 |
8530 |
2020.0 |
-45.6 |
0.579 |
53 |
0 |
0 |
0.140 |
9 |
|
A |
245 |
45 |
211136 |
◊ |
G |
x,y,z |
1_555 |
190 |
47 |
10350 |
1942.1 |
-25.0 |
0.879 |
40 |
0 |
0 |
0.149 |
10 |
|
A |
258 |
46 |
211136 |
◊ |
N |
x,y,z |
1_555 |
172 |
37 |
5556 |
1902.6 |
-34.7 |
0.854 |
42 |
0 |
0 |
0.136 |
11 |
|
A |
249 |
48 |
211136 |
◊ |
J |
x,y,z |
1_555 |
173 |
44 |
7664 |
1889.5 |
-35.2 |
0.718 |
25 |
0 |
0 |
0.127 |
12 |
|
A |
232 |
44 |
211136 |
◊ |
H |
x,y,z |
1_555 |
191 |
52 |
8373 |
1854.4 |
-33.8 |
0.279 |
27 |
0 |
0 |
0.159 |
13 |
|
A |
223 |
40 |
211136 |
◊ |
K |
x,y,z |
1_555 |
173 |
42 |
7135 |
1838.2 |
-34.6 |
0.687 |
30 |
0 |
0 |
0.131 |
14 |
|
A |
208 |
42 |
211136 |
◊ |
O |
x,y,z |
1_555 |
181 |
44 |
6546 |
1808.9 |
-36.5 |
0.638 |
33 |
0 |
0 |
0.134 |
15 |
|
A |
196 |
37 |
211136 |
◊ |
C |
x,y,z |
1_555 |
167 |
44 |
12099 |
1725.3 |
-34.4 |
0.636 |
27 |
0 |
0 |
0.127 |
16 |
|
A |
204 |
39 |
211136 |
◊ |
S |
x,y,z |
1_555 |
154 |
27 |
6192 |
1560.6 |
-19.5 |
0.881 |
34 |
0 |
0 |
0.120 |
17 |
|
A |
144 |
33 |
211136 |
◊ |
U |
x,y,z |
1_555 |
126 |
23 |
2425 |
1283.1 |
-27.6 |
0.377 |
23 |
0 |
0 |
0.131 |
18 |
|
A |
160 |
29 |
211136 |
x |
A |
-y+1/2,x-1/2,z+1/4 |
3_545 |
161 |
29 |
211136 |
1201.1 |
-31.3 |
0.950 |
9 |
0 |
0 |
0.000 |
19 |
|
A |
126 |
28 |
211136 |
◊ |
B |
x,y,z |
1_555 |
104 |
34 |
12604 |
1042.3 |
-17.5 |
0.801 |
17 |
0 |
0 |
0.087 |
20 |
|
R |
110 |
26 |
5395 |
◊ |
F |
x,y,z |
1_555 |
99 |
25 |
7084 |
1014.2 |
-8.0 |
0.136 |
16 |
2 |
0 |
0.054 |
21 |
|
A |
105 |
20 |
211136 |
◊ |
R |
x,y,z |
1_555 |
85 |
20 |
5395 |
918.0 |
-23.8 |
0.373 |
18 |
0 |
0 |
0.111 |
22 |
|
N |
87 |
20 |
5556 |
◊ |
C |
x,y,z |
1_555 |
97 |
24 |
12099 |
813.7 |
-7.8 |
0.248 |
6 |
0 |
0 |
0.367 |
23 |
|
N |
85 |
18 |
5556 |
◊ |
J |
x,y,z |
1_555 |
95 |
18 |
7664 |
792.3 |
-9.0 |
0.256 |
10 |
5 |
0 |
0.501 |
24 |
|
H |
70 |
21 |
8373 |
◊ |
E |
x,y,z |
1_555 |
59 |
15 |
8623 |
654.6 |
-0.7 |
0.511 |
6 |
4 |
0 |
0.009 |
25 |
|
A |
66 |
12 |
211136 |
◊ |
F |
x,y,z |
1_555 |
66 |
19 |
7084 |
594.2 |
-8.2 |
0.738 |
15 |
0 |
0 |
0.052 |
26 |
|
Y |
57 |
6 |
1479 |
◊ |
A |
x,y,z |
1_555 |
56 |
12 |
211136 |
445.0 |
-8.6 |
0.945 |
4 |
0 |
0 |
0.036 |
27 |
|
J |
48 |
15 |
7664 |
◊ |
C |
x,y,z |
1_555 |
53 |
13 |
12099 |
404.5 |
-3.3 |
0.390 |
1 |
0 |
0 |
0.132 |
28 |
|
S |
43 |
13 |
6192 |
◊ |
M |
x,y,z |
1_555 |
41 |
10 |
8530 |
398.5 |
-2.1 |
0.459 |
2 |
0 |
0 |
0.000 |
29 |
|
E |
39 |
15 |
8623 |
◊ |
D |
x,y,z |
1_555 |
33 |
9 |
12332 |
356.8 |
1.0 |
0.587 |
6 |
3 |
0 |
0.003 |
30 |
|
[4OC]A:1402 |
22 |
1 |
493 |
cf |
A |
x,y,z |
1_555 |
56 |
11 |
211136 |
354.4 |
2.2 |
0.776 |
4 |
0 |
0 |
0.000 |
31 |
|
W |
44 |
5 |
3022 |
◊ |
A |
x,y,z |
1_555 |
47 |
7 |
211136 |
348.5 |
-0.7 |
0.946 |
1 |
0 |
0 |
0.000 |
32 |
|
H |
36 |
12 |
8373 |
◊ |
D |
y,x,-z |
7_555 |
36 |
13 |
12332 |
347.4 |
4.4 |
0.717 |
4 |
3 |
0 |
0.000 |
33 |
|
[SIS]A:1792 |
25 |
1 |
617 |
f |
A |
x,y,z |
1_555 |
46 |
10 |
211136 |
345.3 |
-9.3 |
0.713 |
6 |
0 |
0 |
0.042 |
34 |
|
R |
37 |
9 |
5395 |
◊ |
K |
x,y,z |
1_555 |
33 |
12 |
7135 |
338.6 |
-1.1 |
0.499 |
3 |
0 |
0 |
0.007 |
35 |
|
[UR3]A:1498 |
20 |
1 |
456 |
cf |
A |
x,y,z |
1_555 |
46 |
11 |
211136 |
324.4 |
-2.1 |
0.751 |
3 |
0 |
0 |
0.012 |
36 |
|
[MA6]A:1519 |
24 |
1 |
514 |
cf |
A |
x,y,z |
1_555 |
52 |
10 |
211136 |
309.3 |
2.1 |
0.645 |
1 |
0 |
0 |
0.000 |
37 |
|
[MA6]A:1518 |
24 |
1 |
513 |
cf |
A |
x,y,z |
1_555 |
53 |
8 |
211136 |
308.4 |
2.3 |
0.660 |
1 |
0 |
0 |
0.000 |
38 |
|
A |
40 |
8 |
211136 |
◊ |
M |
-y+1/2,x-1/2,z+1/4 |
3_545 |
41 |
12 |
8530 |
307.5 |
-7.6 |
0.404 |
3 |
0 |
0 |
0.000 |
39 |
|
[G7M]A:527 |
24 |
1 |
517 |
cf |
A |
x,y,z |
1_555 |
46 |
9 |
211136 |
291.3 |
2.2 |
0.839 |
6 |
0 |
0 |
0.002 |
40 |
|
B |
34 |
11 |
12604 |
◊ |
B |
y,x,-z |
7_555 |
35 |
11 |
12604 |
290.9 |
5.9 |
0.943 |
10 |
2 |
0 |
0.000 |
41 |
|
H |
28 |
8 |
8373 |
◊ |
B |
x,y,z |
1_555 |
35 |
10 |
12604 |
289.4 |
-1.8 |
0.367 |
4 |
2 |
0 |
0.014 |
42 |
|
[2MG]A:1207 |
24 |
1 |
506 |
cf |
A |
x,y,z |
1_555 |
44 |
6 |
211136 |
284.8 |
2.1 |
0.897 |
3 |
0 |
0 |
0.000 |
43 |
|
E |
33 |
12 |
8623 |
◊ |
E |
y,x,-z |
7_555 |
33 |
12 |
8623 |
274.4 |
4.4 |
0.877 |
6 |
0 |
0 |
0.000 |
44 |
|
[5MC]A:1404 |
21 |
1 |
447 |
cf |
A |
x,y,z |
1_555 |
41 |
6 |
211136 |
267.4 |
1.1 |
0.882 |
5 |
0 |
0 |
0.004 |
45 |
|
[PSU]A:516 |
20 |
1 |
425 |
cf |
A |
x,y,z |
1_555 |
45 |
7 |
211136 |
266.9 |
0.1 |
0.807 |
2 |
0 |
0 |
0.003 |
46 |
|
K |
31 |
9 |
7135 |
◊ |
G |
x,y,z |
1_555 |
31 |
8 |
10350 |
261.8 |
0.8 |
0.594 |
4 |
0 |
0 |
0.003 |
47 |
|
[5MC]A:1407 |
21 |
1 |
449 |
cf |
A |
x,y,z |
1_555 |
34 |
4 |
211136 |
248.8 |
1.5 |
0.887 |
4 |
0 |
0 |
0.000 |
48 |
|
[PSU]A:1540 |
18 |
1 |
428 |
cf |
A |
x,y,z |
1_555 |
34 |
9 |
211136 |
222.9 |
-3.9 |
0.679 |
0 |
0 |
0 |
0.013 |
49 |
|
I |
25 |
9 |
8504 |
◊ |
G |
x,y,z |
1_555 |
27 |
9 |
10350 |
219.7 |
-2.5 |
0.215 |
1 |
0 |
0 |
0.000 |
50 |
|
Q |
23 |
5 |
7625 |
◊ |
L |
x,y,z |
1_555 |
23 |
6 |
9460 |
209.3 |
-3.6 |
0.191 |
1 |
0 |
0 |
0.007 |
51 |
|
[5MC]A:967 |
17 |
1 |
456 |
cf |
A |
x,y,z |
1_555 |
24 |
4 |
211136 |
186.6 |
0.0 |
0.671 |
0 |
0 |
0 |
0.000 |
52 |
|
W |
19 |
4 |
3022 |
◊ |
Y |
x,y,z |
1_555 |
26 |
4 |
1479 |
182.5 |
-2.0 |
0.848 |
5 |
0 |
0 |
0.000 |
53 |
|
K |
18 |
7 |
7135 |
◊ |
A |
x,y,z-1 |
1_554 |
21 |
2 |
211136 |
173.6 |
0.4 |
0.845 |
2 |
0 |
0 |
0.000 |
54 |
|
J |
24 |
7 |
7664 |
◊ |
I |
x,y,z |
1_555 |
16 |
4 |
8504 |
168.4 |
-1.4 |
0.342 |
1 |
0 |
0 |
0.003 |
55 |
|
[PSU]A:1541 |
14 |
1 |
433 |
cf |
A |
x,y,z |
1_555 |
25 |
7 |
211136 |
165.8 |
-3.7 |
0.560 |
1 |
0 |
0 |
0.014 |
56 |
|
A |
20 |
5 |
211136 |
◊ |
I |
-y+1/2,x-1/2,z+1/4 |
3_545 |
14 |
3 |
8504 |
162.6 |
-1.1 |
0.686 |
5 |
0 |
0 |
0.000 |
57 |
|
[5MC]A:1400 |
15 |
1 |
450 |
cf |
A |
x,y,z |
1_555 |
20 |
4 |
211136 |
154.2 |
0.3 |
0.810 |
1 |
0 |
0 |
0.000 |
58 |
|
[5MC]A:967 |
18 |
1 |
456 |
cf |
[M2G]A:966 |
x,y,z |
1_555 |
18 |
1 |
515 |
145.8 |
-0.4 |
0.632 |
0 |
0 |
0 |
0.001 |
59 |
|
[MA6]A:1519 |
19 |
1 |
514 |
cf |
[MA6]A:1518 |
x,y,z |
1_555 |
19 |
1 |
513 |
129.0 |
3.7 |
0.462 |
0 |
0 |
0 |
0.000 |
60 |
|
Q |
16 |
5 |
7625 |
◊ |
H |
x,y,z |
1_555 |
14 |
4 |
8373 |
128.9 |
-0.3 |
0.519 |
0 |
0 |
0 |
0.000 |
61 |
|
[PSU]A:1541 |
16 |
1 |
433 |
cf |
[PSU]A:1540 |
x,y,z |
1_555 |
17 |
1 |
428 |
127.9 |
0.7 |
0.696 |
1 |
0 |
0 |
0.000 |
62 |
|
[M2G]A:966 |
10 |
1 |
515 |
cf |
A |
x,y,z |
1_555 |
19 |
5 |
211136 |
121.8 |
-0.2 |
0.732 |
0 |
0 |
0 |
0.000 |
63 |
|
J |
14 |
4 |
7664 |
◊ |
J |
-y+1,-x+1,-z+1/2 |
8_665 |
14 |
4 |
7664 |
113.7 |
2.3 |
0.846 |
2 |
2 |
0 |
0.000 |
64 |
|
E |
10 |
3 |
8623 |
◊ |
C |
x,y,z |
1_555 |
9 |
5 |
12099 |
104.5 |
1.2 |
0.765 |
0 |
1 |
0 |
0.000 |
65 |
|
A |
13 |
3 |
211136 |
◊ |
G |
-y+1/2,x-1/2,z+1/4 |
3_545 |
14 |
4 |
10350 |
97.3 |
-3.1 |
0.443 |
0 |
0 |
0 |
0.000 |
66 |
|
A |
11 |
1 |
211136 |
◊ |
[5MC]A:1400 |
-y+1/2,x-1/2,z+1/4 |
3_545 |
15 |
1 |
450 |
85.6 |
-0.2 |
0.729 |
1 |
0 |
0 |
0.000 |
67 |
|
[G7M]A:527 |
5 |
1 |
517 |
◊ |
L |
x,y,z |
1_555 |
11 |
5 |
9460 |
78.5 |
-0.6 |
0.510 |
1 |
0 |
0 |
0.002 |
68 |
|
N |
14 |
3 |
5556 |
◊ |
I |
x,y,z |
1_555 |
8 |
2 |
8504 |
67.7 |
0.2 |
0.635 |
1 |
0 |
0 |
0.000 |
69 |
|
A |
8 |
2 |
211136 |
◊ |
M |
x-1/2,-y+1/2,-z-1/4 |
6_454 |
7 |
3 |
8530 |
66.5 |
-2.0 |
0.412 |
0 |
0 |
0 |
0.000 |
70 |
|
[SIS]A:1792 |
4 |
1 |
617 |
f |
[5MC]A:1404 |
x,y,z |
1_555 |
13 |
1 |
447 |
61.8 |
-1.2 |
0.401 |
0 |
0 |
0 |
0.004 |
71 |
|
L |
6 |
2 |
9460 |
◊ |
H |
x,y,z |
1_555 |
8 |
2 |
8373 |
58.9 |
-0.9 |
0.311 |
0 |
0 |
0 |
0.000 |
72 |
|
[M2G]A:966 |
5 |
1 |
515 |
◊ |
I |
x,y,z |
1_555 |
7 |
1 |
8504 |
56.2 |
-2.0 |
0.279 |
0 |
0 |
0 |
0.004 |
73 |
|
A |
8 |
1 |
211136 |
◊ |
[M2G]A:966 |
-y+1/2,x-1/2,z+1/4 |
3_545 |
13 |
1 |
515 |
51.7 |
0.5 |
0.745 |
0 |
0 |
0 |
0.000 |
74 |
|
[MA6]A:1519 |
6 |
1 |
514 |
f |
[5MC]A:1404 |
x,y,z |
1_555 |
4 |
1 |
447 |
49.4 |
-2.5 |
0.244 |
0 |
0 |
0 |
0.009 |
75 |
|
[5MC]A:967 |
6 |
1 |
456 |
◊ |
I |
x,y,z |
1_555 |
7 |
2 |
8504 |
48.8 |
-0.5 |
0.386 |
0 |
0 |
0 |
0.000 |
76 |
|
[SIS]A:1792 |
7 |
1 |
617 |
f |
[5MC]A:1407 |
x,y,z |
1_555 |
3 |
1 |
449 |
48.4 |
-0.3 |
0.609 |
1 |
0 |
0 |
0.003 |
77 |
|
G |
5 |
2 |
10350 |
◊ |
G |
-y+1,-x+1,-z-1/2 |
8_664 |
6 |
2 |
10350 |
47.3 |
0.5 |
0.660 |
0 |
0 |
0 |
0.000 |
78 |
|
U |
4 |
3 |
2425 |
◊ |
M |
x,y,z |
1_555 |
6 |
3 |
8530 |
46.8 |
0.3 |
0.461 |
0 |
0 |
0 |
0.000 |
79 |
|
Y |
5 |
2 |
1479 |
◊ |
E |
x,y,z |
1_555 |
3 |
1 |
8623 |
44.3 |
-0.3 |
0.608 |
3 |
0 |
0 |
0.000 |
80 |
|
Y |
7 |
1 |
1479 |
◊ |
C |
x,y,z |
1_555 |
4 |
1 |
12099 |
39.8 |
-0.5 |
0.681 |
0 |
0 |
0 |
0.001 |
81 |
|
Y |
6 |
2 |
1479 |
◊ |
L |
x,y,z |
1_555 |
8 |
2 |
9460 |
38.9 |
-1.4 |
0.532 |
0 |
0 |
0 |
0.000 |
82 |
|
[MA6]A:1519 |
4 |
1 |
514 |
f |
[UR3]A:1498 |
x,y,z |
1_555 |
5 |
1 |
456 |
37.9 |
1.7 |
0.693 |
0 |
0 |
0 |
0.000 |
83 |
|
[UR3]A:1498 |
3 |
1 |
456 |
f |
[4OC]A:1402 |
x,y,z |
1_555 |
1 |
1 |
493 |
30.4 |
0.9 |
0.722 |
0 |
0 |
0 |
0.000 |
84 |
|
O |
2 |
1 |
6546 |
◊ |
F |
x,y,z |
1_555 |
1 |
1 |
7084 |
29.0 |
0.2 |
0.412 |
0 |
0 |
0 |
0.000 |
85 |
|
[UR3]A:1498 |
6 |
1 |
456 |
f |
[5MC]A:1404 |
x,y,z |
1_555 |
6 |
1 |
447 |
28.3 |
0.2 |
0.648 |
0 |
0 |
0 |
0.000 |
86 |
|
[5MC]A:1400 |
1 |
1 |
450 |
f |
[M2G]A:966 |
x,y,z |
1_555 |
5 |
1 |
515 |
26.5 |
0.4 |
0.541 |
1 |
0 |
0 |
0.000 |
87 |
|
[2MG]A:1207 |
3 |
1 |
506 |
◊ |
C |
x,y,z |
1_555 |
3 |
1 |
12099 |
25.8 |
-0.1 |
0.529 |
0 |
0 |
0 |
0.000 |
88 |
|
E |
3 |
1 |
8623 |
◊ |
B |
y,x,-z |
7_555 |
4 |
1 |
12604 |
17.3 |
0.1 |
0.645 |
0 |
0 |
0 |
0.000 |
89 |
|
Q |
4 |
3 |
7625 |
◊ |
O |
x,y,z |
1_555 |
2 |
2 |
6546 |
16.5 |
0.2 |
0.636 |
0 |
0 |
0 |
0.000 |
90 |
|
[ZN]N:101 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
4 |
1 |
211136 |
15.6 |
-6.3 |
0.000 |
0 |
0 |
0 |
0.022 |
91 |
|
A |
3 |
2 |
211136 |
◊ |
D |
y,x,-z |
7_555 |
2 |
1 |
12332 |
15.1 |
0.0 |
0.632 |
0 |
0 |
0 |
0.000 |
92 |
|
[MA6]A:1518 |
3 |
1 |
513 |
f |
[UR3]A:1498 |
x,y,z |
1_555 |
2 |
1 |
456 |
13.6 |
0.8 |
0.545 |
0 |
0 |
0 |
0.000 |
93 |
|
A |
1 |
1 |
211136 |
◊ |
[PSU]A:1541 |
-y+1/2,x-1/2,z+1/4 |
3_545 |
1 |
1 |
433 |
9.6 |
-0.2 |
0.464 |
0 |
0 |
0 |
0.000 |
94 |
|
E |
1 |
1 |
8623 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
12604 |
5.2 |
0.2 |
0.542 |
0 |
0 |
0 |
0.000 |
95 |
|
C |
1 |
1 |
12099 |
◊ |
B |
y,x,-z |
7_555 |
1 |
1 |
12604 |
4.1 |
-0.0 |
0.530 |
0 |
0 |
0 |
0.000 |
96 |
|
[SIS]A:1792 |
1 |
1 |
617 |
◊ |
L |
x,y,z |
1_555 |
1 |
1 |
9460 |
1.7 |
-0.0 |
0.587 |
0 |
0 |
0 |
0.000 |
|