## |
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 |
|
D |
271 |
75 |
19092 |
◊ |
C |
x,y,z |
1_555 |
266 |
75 |
19006 |
2671.1 |
-17.6 |
0.315 |
48 |
14 |
0 |
1.000 |
2 |
|
H |
269 |
74 |
19121 |
◊ |
F |
x,y,z |
1_555 |
266 |
75 |
18891 |
2670.6 |
-19.2 |
0.254 |
45 |
14 |
0 |
1.000 |
3 |
|
B |
269 |
74 |
19026 |
◊ |
A |
x,y,z |
1_555 |
271 |
76 |
19178 |
2657.4 |
-18.0 |
0.274 |
46 |
14 |
0 |
1.000 |
4 |
|
G |
261 |
74 |
18920 |
◊ |
E |
x,y,z |
1_555 |
259 |
72 |
18927 |
2593.1 |
-14.6 |
0.387 |
49 |
14 |
0 |
1.000 |
Average: |
2648.0 |
-17.3 |
0.307 |
47 |
14 |
0 |
1.000 |
2 |
5 |
|
D |
107 |
28 |
19092 |
◊ |
B |
x,y,z |
1_555 |
104 |
27 |
19026 |
1006.3 |
-1.3 |
0.719 |
14 |
6 |
0 |
0.193 |
6 |
|
C |
105 |
28 |
19006 |
◊ |
A |
x,y,z |
1_555 |
105 |
28 |
19178 |
1003.9 |
-1.6 |
0.682 |
14 |
6 |
0 |
0.193 |
7 |
|
H |
104 |
27 |
19121 |
◊ |
G |
x,y,z |
1_555 |
101 |
27 |
18920 |
997.7 |
-0.4 |
0.782 |
16 |
10 |
0 |
0.193 |
8 |
|
F |
105 |
28 |
18891 |
◊ |
E |
x,y,z |
1_555 |
111 |
27 |
18927 |
990.5 |
-1.9 |
0.670 |
15 |
9 |
0 |
0.193 |
Average: |
999.6 |
-1.3 |
0.713 |
15 |
8 |
0 |
0.193 |
3 |
9 |
|
D |
99 |
32 |
19092 |
◊ |
A |
x,y,z |
1_555 |
94 |
33 |
19178 |
906.7 |
-9.6 |
0.169 |
10 |
0 |
0 |
1.000 |
10 |
|
C |
98 |
33 |
19006 |
◊ |
B |
x,y,z |
1_555 |
95 |
32 |
19026 |
903.1 |
-10.1 |
0.145 |
11 |
0 |
0 |
1.000 |
11 |
|
H |
99 |
32 |
19121 |
◊ |
E |
x,y,z |
1_555 |
99 |
33 |
18927 |
902.2 |
-9.5 |
0.171 |
11 |
0 |
0 |
1.000 |
12 |
|
G |
96 |
33 |
18920 |
◊ |
F |
x,y,z |
1_555 |
97 |
32 |
18891 |
896.4 |
-9.4 |
0.182 |
11 |
0 |
0 |
1.000 |
Average: |
902.1 |
-9.7 |
0.167 |
11 |
0 |
0 |
1.000 |
4 |
13 |
|
A |
84 |
26 |
19178 |
◊ |
D |
x-1,y,z |
1_455 |
88 |
30 |
19092 |
813.1 |
5.7 |
0.954 |
14 |
12 |
0 |
0.000 |
14 |
|
H |
65 |
24 |
19121 |
◊ |
E |
x-1,y,z |
1_455 |
75 |
25 |
18927 |
675.2 |
3.7 |
0.910 |
10 |
12 |
0 |
0.000 |
Average: |
744.2 |
4.7 |
0.932 |
12 |
12 |
0 |
0.000 |
5 |
15 |
|
[MES]H:503 |
12 |
1 |
336 |
f |
H |
x,y,z |
1_555 |
34 |
15 |
19121 |
245.0 |
5.2 |
0.301 |
0 |
0 |
0 |
0.000 |
16 |
|
[MES]B:502 |
12 |
1 |
336 |
f |
B |
x,y,z |
1_555 |
33 |
15 |
19026 |
238.5 |
5.3 |
0.305 |
0 |
0 |
0 |
0.000 |
17 |
|
[MES]D:502 |
12 |
1 |
337 |
f |
D |
x,y,z |
1_555 |
33 |
15 |
19092 |
235.4 |
5.2 |
0.314 |
0 |
0 |
0 |
0.000 |
Average: |
239.6 |
5.2 |
0.306 |
0 |
0 |
0 |
0.000 |
6 |
18 |
|
[MES]A:501 |
12 |
1 |
336 |
f |
A |
x,y,z |
1_555 |
36 |
15 |
19178 |
243.8 |
5.3 |
0.325 |
0 |
0 |
0 |
0.000 |
7 |
19 |
|
[MES]F:502 |
12 |
1 |
337 |
f |
F |
x,y,z |
1_555 |
35 |
16 |
18891 |
243.2 |
5.4 |
0.325 |
0 |
0 |
0 |
0.000 |
8 |
20 |
|
[MES]C:502 |
12 |
1 |
329 |
f |
C |
x,y,z |
1_555 |
33 |
16 |
19006 |
242.7 |
5.4 |
0.336 |
0 |
0 |
0 |
0.000 |
21 |
|
[MES]G:502 |
12 |
1 |
335 |
f |
G |
x,y,z |
1_555 |
33 |
16 |
18920 |
241.7 |
5.5 |
0.323 |
0 |
0 |
0 |
0.000 |
22 |
|
[MES]E:501 |
12 |
1 |
331 |
f |
E |
x,y,z |
1_555 |
33 |
16 |
18927 |
237.9 |
5.4 |
0.322 |
0 |
0 |
0 |
0.000 |
Average: |
240.8 |
5.4 |
0.327 |
0 |
0 |
0 |
0.000 |
9 |
23 |
|
F |
20 |
9 |
18891 |
◊ |
A |
x,y,z |
1_555 |
16 |
7 |
19178 |
176.4 |
0.5 |
0.722 |
3 |
0 |
0 |
0.000 |
24 |
|
C |
20 |
9 |
19006 |
◊ |
E |
x,y-1,z |
1_545 |
15 |
6 |
18927 |
175.0 |
0.7 |
0.749 |
3 |
0 |
0 |
0.000 |
Average: |
175.7 |
0.6 |
0.735 |
3 |
0 |
0 |
0.000 |
10 |
25 |
|
F |
17 |
6 |
18891 |
◊ |
D |
x-1,y,z |
1_455 |
25 |
10 |
19092 |
170.8 |
-1.0 |
0.515 |
2 |
2 |
0 |
0.000 |
26 |
|
H |
20 |
10 |
19121 |
◊ |
C |
x-1,y+1,z |
1_465 |
18 |
8 |
19006 |
151.9 |
-0.1 |
0.644 |
2 |
2 |
0 |
0.000 |
Average: |
161.3 |
-0.6 |
0.580 |
2 |
2 |
0 |
0.000 |
11 |
27 |
|
E |
19 |
6 |
18927 |
◊ |
B |
x,y,z-1 |
1_554 |
22 |
10 |
19026 |
161.6 |
-1.8 |
0.299 |
1 |
2 |
0 |
0.000 |
12 |
28 |
|
C |
17 |
4 |
19006 |
◊ |
B |
x,y-1,z |
1_545 |
11 |
4 |
19026 |
139.1 |
-2.2 |
0.225 |
2 |
1 |
0 |
0.000 |
29 |
|
F |
16 |
4 |
18891 |
◊ |
G |
x,y-1,z |
1_545 |
11 |
4 |
18920 |
128.0 |
-2.1 |
0.234 |
2 |
1 |
0 |
0.000 |
Average: |
133.5 |
-2.2 |
0.229 |
2 |
1 |
0 |
0.000 |
13 |
30 |
|
E |
13 |
6 |
18927 |
◊ |
B |
x,y,z |
1_555 |
19 |
8 |
19026 |
126.8 |
1.5 |
0.839 |
2 |
4 |
0 |
0.000 |
31 |
|
A |
12 |
6 |
19178 |
◊ |
G |
x,y-1,z |
1_545 |
17 |
7 |
18920 |
122.5 |
1.3 |
0.825 |
2 |
4 |
0 |
0.000 |
Average: |
124.7 |
1.4 |
0.832 |
2 |
4 |
0 |
0.000 |
14 |
32 |
|
F |
16 |
10 |
18891 |
◊ |
D |
x-1,y,z-1 |
1_454 |
22 |
12 |
19092 |
125.5 |
-1.7 |
0.388 |
0 |
0 |
0 |
0.000 |
15 |
33 |
|
[EDO]G:501 |
4 |
1 |
184 |
f |
G |
x,y,z |
1_555 |
19 |
10 |
18920 |
116.6 |
2.6 |
0.379 |
3 |
0 |
0 |
0.000 |
16 |
34 |
|
[EDO]D:501 |
4 |
1 |
184 |
f |
D |
x,y,z |
1_555 |
15 |
9 |
19092 |
116.2 |
2.8 |
0.345 |
2 |
0 |
0 |
0.000 |
17 |
35 |
|
[EDO]H:501 |
4 |
1 |
184 |
f |
H |
x,y,z |
1_555 |
16 |
9 |
19121 |
115.7 |
2.8 |
0.351 |
2 |
0 |
0 |
0.000 |
18 |
36 |
|
[EDO]F:501 |
4 |
1 |
184 |
f |
F |
x,y,z |
1_555 |
17 |
9 |
18891 |
115.6 |
2.8 |
0.359 |
2 |
0 |
0 |
0.000 |
37 |
|
[EDO]B:501 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
16 |
9 |
19026 |
115.0 |
2.8 |
0.367 |
2 |
0 |
0 |
0.000 |
38 |
|
[EDO]C:501 |
4 |
1 |
183 |
f |
C |
x,y,z |
1_555 |
17 |
9 |
19006 |
113.9 |
2.8 |
0.358 |
2 |
0 |
0 |
0.000 |
Average: |
114.8 |
2.8 |
0.361 |
2 |
0 |
0 |
0.000 |
19 |
39 |
|
[EDO]H:502 |
4 |
1 |
184 |
◊ |
H |
x,y,z |
1_555 |
12 |
5 |
19121 |
86.2 |
2.3 |
0.253 |
2 |
0 |
0 |
0.000 |
20 |
40 |
|
G |
7 |
2 |
18920 |
◊ |
B |
x,y,z-1 |
1_554 |
12 |
4 |
19026 |
74.4 |
-0.1 |
0.624 |
0 |
0 |
0 |
0.000 |
21 |
41 |
|
F |
9 |
3 |
18891 |
◊ |
C |
x-1,y,z-1 |
1_454 |
7 |
2 |
19006 |
65.4 |
0.1 |
0.583 |
0 |
0 |
0 |
0.000 |
22 |
42 |
|
A |
5 |
2 |
19178 |
◊ |
G |
x,y-1,z+1 |
1_546 |
8 |
3 |
18920 |
53.2 |
-0.8 |
0.264 |
0 |
0 |
0 |
0.000 |
23 |
43 |
|
[EDO]H:502 |
3 |
1 |
184 |
f |
E |
x,y,z |
1_555 |
9 |
3 |
18927 |
53.1 |
1.3 |
0.216 |
0 |
0 |
0 |
0.000 |
24 |
44 |
|
A |
3 |
1 |
19178 |
◊ |
H |
x,y-1,z |
1_545 |
5 |
2 |
19121 |
30.6 |
0.0 |
0.482 |
1 |
1 |
0 |
0.000 |
45 |
|
E |
4 |
2 |
18927 |
◊ |
D |
x,y,z |
1_555 |
5 |
3 |
19092 |
25.1 |
0.1 |
0.594 |
1 |
1 |
0 |
0.000 |
Average: |
27.9 |
0.1 |
0.538 |
1 |
1 |
0 |
0.000 |
25 |
46 |
|
H |
5 |
3 |
19121 |
◊ |
D |
x-1,y+1,z |
1_465 |
1 |
1 |
19092 |
26.5 |
-0.5 |
0.195 |
0 |
0 |
0 |
0.000 |
47 |
|
H |
1 |
1 |
19121 |
◊ |
D |
x-1,y,z |
1_455 |
4 |
3 |
19092 |
20.5 |
-0.4 |
0.231 |
0 |
0 |
0 |
0.000 |
Average: |
23.5 |
-0.4 |
0.213 |
0 |
0 |
0 |
0.000 |
26 |
48 |
|
F |
3 |
1 |
18891 |
◊ |
E |
x-1,y,z |
1_455 |
2 |
1 |
18927 |
15.4 |
0.1 |
0.559 |
0 |
0 |
0 |
0.000 |
49 |
|
B |
3 |
1 |
19026 |
◊ |
D |
x-1,y,z |
1_455 |
2 |
1 |
19092 |
10.5 |
0.0 |
0.572 |
0 |
0 |
0 |
0.000 |
50 |
|
H |
2 |
1 |
19121 |
◊ |
G |
x-1,y,z |
1_455 |
3 |
1 |
18920 |
9.1 |
0.0 |
0.605 |
0 |
0 |
0 |
0.000 |
51 |
|
A |
2 |
1 |
19178 |
◊ |
C |
x-1,y,z |
1_455 |
4 |
1 |
19006 |
7.8 |
-0.2 |
0.503 |
0 |
0 |
0 |
0.000 |
Average: |
10.7 |
-0.0 |
0.560 |
0 |
0 |
0 |
0.000 |
27 |
52 |
|
A |
2 |
2 |
19178 |
◊ |
F |
x,y-1,z |
1_545 |
3 |
1 |
18891 |
8.5 |
-0.2 |
0.426 |
0 |
0 |
0 |
0.000 |
53 |
|
E |
2 |
2 |
18927 |
◊ |
C |
x,y,z |
1_555 |
3 |
1 |
19006 |
7.5 |
-0.2 |
0.448 |
0 |
0 |
0 |
0.000 |
Average: |
8.0 |
-0.2 |
0.437 |
0 |
0 |
0 |
0.000 |
28 |
54 |
|
A |
1 |
1 |
19178 |
◊ |
E |
x,y-1,z |
1_545 |
1 |
1 |
18927 |
4.0 |
0.1 |
0.793 |
0 |
0 |
0 |
0.000 |
|