## |
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 |
|
M |
405 |
110 |
21289 |
◊ |
T |
x,y,z |
1_555 |
393 |
100 |
12673 |
3862.0 |
-37.3 |
0.030 |
31 |
8 |
0 |
0.318 |
2 |
|
L |
406 |
111 |
21436 |
◊ |
S |
x,y,z |
1_555 |
394 |
100 |
12732 |
3851.4 |
-38.1 |
0.027 |
30 |
9 |
0 |
0.318 |
Average: |
3856.7 |
-37.7 |
0.028 |
31 |
9 |
0 |
0.318 |
2 |
3 |
|
M |
78 |
18 |
21289 |
◊ |
S |
x,y,z |
1_555 |
95 |
25 |
12732 |
798.8 |
-12.0 |
0.050 |
1 |
1 |
0 |
0.065 |
4 |
|
L |
80 |
19 |
21436 |
◊ |
T |
x,y,z |
1_555 |
94 |
25 |
12673 |
795.3 |
-11.4 |
0.074 |
1 |
2 |
0 |
0.065 |
Average: |
797.1 |
-11.7 |
0.062 |
1 |
2 |
0 |
0.065 |
3 |
5 |
|
T |
73 |
21 |
12673 |
◊ |
S |
x,y,z |
1_555 |
71 |
21 |
12732 |
632.6 |
-1.0 |
0.708 |
3 |
0 |
0 |
0.006 |
4 |
6 |
|
M |
57 |
18 |
21289 |
◊ |
L |
-x-1/2,-y,z-1/2 |
2_454 |
55 |
17 |
21436 |
518.0 |
1.5 |
0.776 |
2 |
8 |
0 |
0.000 |
5 |
7 |
|
M |
50 |
16 |
21289 |
◊ |
L |
x,y,z |
1_555 |
49 |
15 |
21436 |
421.4 |
-5.6 |
0.141 |
4 |
0 |
0 |
0.019 |
6 |
8 |
|
[LMT]S:404 |
14 |
1 |
479 |
f |
S |
x,y,z |
1_555 |
42 |
17 |
12732 |
310.5 |
6.4 |
0.269 |
0 |
0 |
0 |
0.000 |
9 |
|
[LMT]T:404 |
14 |
1 |
478 |
f |
T |
x,y,z |
1_555 |
42 |
17 |
12673 |
301.4 |
6.0 |
0.251 |
0 |
0 |
0 |
0.000 |
Average: |
306.0 |
6.2 |
0.260 |
0 |
0 |
0 |
0.000 |
7 |
10 |
|
M |
40 |
13 |
21289 |
◊ |
L |
x-1/2,-y+1/2,-z |
4_455 |
28 |
13 |
21436 |
240.2 |
-0.5 |
0.578 |
0 |
0 |
0 |
0.000 |
8 |
11 |
|
S |
27 |
7 |
12732 |
◊ |
M |
x-1/2,-y+1/2,-z |
4_455 |
29 |
7 |
21289 |
226.2 |
-0.6 |
0.530 |
0 |
0 |
0 |
0.000 |
9 |
12 |
|
M |
19 |
8 |
21289 |
◊ |
L |
-x+1/2,-y,z-1/2 |
2_554 |
18 |
5 |
21436 |
188.6 |
1.0 |
0.567 |
0 |
0 |
0 |
0.000 |
10 |
13 |
|
[SF4]T:401 |
8 |
1 |
312 |
f |
T |
x,y,z |
1_555 |
23 |
13 |
12673 |
185.8 |
-20.4 |
0.583 |
0 |
0 |
0 |
0.124 |
14 |
|
[SF4]S:401 |
8 |
1 |
309 |
f |
S |
x,y,z |
1_555 |
24 |
13 |
12732 |
183.3 |
-20.1 |
0.445 |
0 |
0 |
0 |
0.124 |
Average: |
184.6 |
-20.2 |
0.514 |
0 |
0 |
0 |
0.124 |
11 |
15 |
|
[F3S]S:402 |
7 |
1 |
304 |
f |
S |
x,y,z |
1_555 |
29 |
13 |
12732 |
180.2 |
-17.5 |
0.349 |
1 |
0 |
0 |
0.109 |
16 |
|
[F3S]T:402 |
7 |
1 |
303 |
f |
T |
x,y,z |
1_555 |
29 |
13 |
12673 |
178.5 |
-17.4 |
0.365 |
1 |
0 |
0 |
0.109 |
Average: |
179.4 |
-17.5 |
0.357 |
1 |
0 |
0 |
0.109 |
12 |
17 |
|
M |
21 |
7 |
21289 |
x |
M |
-x,y-1/2,-z-1/2 |
3_544 |
17 |
7 |
21289 |
174.4 |
0.8 |
0.708 |
0 |
0 |
0 |
0.000 |
13 |
18 |
|
[EJ2]M:601 |
8 |
1 |
301 |
f |
M |
x,y,z |
1_555 |
16 |
11 |
21289 |
157.5 |
-6.2 |
0.227 |
0 |
0 |
0 |
0.039 |
19 |
|
[EJ2]L:601 |
8 |
1 |
299 |
f |
L |
x,y,z |
1_555 |
16 |
10 |
21436 |
157.4 |
-6.2 |
0.248 |
0 |
0 |
0 |
0.039 |
Average: |
157.4 |
-6.2 |
0.238 |
0 |
0 |
0 |
0.039 |
14 |
20 |
|
[SF3]S:403 |
7 |
1 |
302 |
f |
S |
x,y,z |
1_555 |
26 |
14 |
12732 |
155.2 |
-20.4 |
0.264 |
1 |
0 |
0 |
0.127 |
21 |
|
[SF3]T:403 |
7 |
1 |
303 |
f |
T |
x,y,z |
1_555 |
23 |
13 |
12673 |
154.4 |
-20.4 |
0.283 |
1 |
0 |
0 |
0.127 |
Average: |
154.8 |
-20.4 |
0.274 |
1 |
0 |
0 |
0.127 |
15 |
22 |
|
T |
11 |
5 |
12673 |
◊ |
L |
x-1/2,-y+1/2,-z |
4_455 |
7 |
2 |
21436 |
94.6 |
1.1 |
0.811 |
0 |
0 |
0 |
0.000 |
16 |
23 |
|
M |
11 |
5 |
21289 |
◊ |
S |
-x-1/2,-y,z-1/2 |
2_454 |
10 |
2 |
12732 |
94.3 |
-0.1 |
0.613 |
0 |
0 |
0 |
0.000 |
24 |
|
T |
8 |
2 |
12673 |
◊ |
L |
-x-1/2,-y,z-1/2 |
2_454 |
7 |
2 |
21436 |
59.1 |
-0.5 |
0.395 |
0 |
0 |
0 |
0.000 |
Average: |
76.7 |
-0.3 |
0.504 |
0 |
0 |
0 |
0.000 |
17 |
25 |
|
[CL]T:405 |
1 |
1 |
125 |
f |
T |
x,y,z |
1_555 |
15 |
9 |
12673 |
73.4 |
-11.9 |
0.000 |
0 |
0 |
0 |
0.072 |
26 |
|
[CL]S:405 |
1 |
1 |
125 |
f |
S |
x,y,z |
1_555 |
15 |
9 |
12732 |
73.0 |
-11.9 |
0.000 |
0 |
0 |
0 |
0.072 |
Average: |
73.2 |
-11.9 |
0.000 |
0 |
0 |
0 |
0.072 |
18 |
27 |
|
[CL]T:407 |
1 |
1 |
125 |
f |
T |
x,y,z |
1_555 |
17 |
10 |
12673 |
72.3 |
-12.4 |
0.000 |
0 |
0 |
0 |
0.075 |
28 |
|
[CL]S:407 |
1 |
1 |
125 |
f |
S |
x,y,z |
1_555 |
17 |
10 |
12732 |
72.0 |
-12.3 |
0.000 |
0 |
0 |
0 |
0.075 |
Average: |
72.1 |
-12.3 |
0.000 |
0 |
0 |
0 |
0.075 |
19 |
29 |
|
[CL]T:406 |
1 |
1 |
125 |
f |
T |
x,y,z |
1_555 |
17 |
8 |
12673 |
71.9 |
-11.1 |
0.000 |
0 |
0 |
0 |
0.068 |
30 |
|
[CL]S:406 |
1 |
1 |
125 |
f |
S |
x,y,z |
1_555 |
16 |
7 |
12732 |
71.5 |
-11.2 |
0.000 |
0 |
0 |
0 |
0.068 |
Average: |
71.7 |
-11.2 |
0.000 |
0 |
0 |
0 |
0.068 |
20 |
31 |
|
[SO4]L:603 |
5 |
1 |
186 |
f |
L |
x,y,z |
1_555 |
9 |
4 |
21436 |
69.1 |
-9.8 |
0.652 |
2 |
0 |
0 |
0.060 |
21 |
32 |
|
[SF3]S:403 |
4 |
1 |
302 |
◊ |
L |
x,y,z |
1_555 |
10 |
4 |
21436 |
52.9 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.026 |
33 |
|
[SF3]T:403 |
4 |
1 |
303 |
◊ |
M |
x,y,z |
1_555 |
10 |
4 |
21289 |
52.7 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.026 |
Average: |
52.8 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.026 |
22 |
34 |
|
[MG]L:602 |
1 |
1 |
98 |
f |
L |
x,y,z |
1_555 |
11 |
6 |
21436 |
52.7 |
-9.6 |
0.000 |
0 |
0 |
0 |
0.061 |
35 |
|
[MG]M:602 |
1 |
1 |
98 |
f |
M |
x,y,z |
1_555 |
10 |
6 |
21289 |
51.7 |
-9.7 |
0.000 |
0 |
0 |
0 |
0.061 |
Average: |
52.2 |
-9.6 |
0.000 |
0 |
0 |
0 |
0.061 |
23 |
36 |
|
T |
7 |
1 |
12673 |
◊ |
L |
x-1/2,-y-1/2,-z |
4_445 |
3 |
2 |
21436 |
42.8 |
-0.6 |
0.238 |
0 |
0 |
0 |
0.000 |
24 |
37 |
|
[SO4]L:603 |
3 |
1 |
186 |
◊ |
S |
x,y,z |
1_555 |
3 |
2 |
12732 |
41.5 |
-3.8 |
0.970 |
2 |
0 |
0 |
0.026 |
25 |
38 |
|
M |
5 |
2 |
21289 |
◊ |
S |
x-1/2,-y+1/2,-z |
4_455 |
6 |
3 |
12732 |
37.8 |
0.1 |
0.639 |
0 |
0 |
0 |
0.000 |
26 |
39 |
|
[F3S]T:402 |
3 |
1 |
303 |
◊ |
M |
x,y,z |
1_555 |
6 |
3 |
21289 |
37.5 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.013 |
40 |
|
[F3S]S:402 |
3 |
1 |
304 |
◊ |
L |
x,y,z |
1_555 |
6 |
3 |
21436 |
37.2 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.013 |
Average: |
37.3 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.013 |
27 |
41 |
|
L |
1 |
1 |
21436 |
◊ |
T |
x-1/2,-y-1/2,-z |
4_445 |
3 |
1 |
12673 |
25.2 |
-0.2 |
0.199 |
0 |
0 |
0 |
0.000 |
28 |
42 |
|
T |
4 |
2 |
12673 |
◊ |
M |
-x,y-1/2,-z-1/2 |
3_544 |
4 |
2 |
21289 |
24.7 |
0.4 |
0.761 |
0 |
0 |
0 |
0.000 |
29 |
43 |
|
[CL]T:406 |
1 |
1 |
125 |
◊ |
M |
x,y,z |
1_555 |
1 |
1 |
21289 |
11.8 |
-1.3 |
0.000 |
0 |
0 |
0 |
0.008 |
44 |
|
[CL]S:406 |
1 |
1 |
125 |
◊ |
L |
x,y,z |
1_555 |
1 |
1 |
21436 |
11.6 |
-1.3 |
0.000 |
0 |
0 |
0 |
0.008 |
Average: |
11.7 |
-1.3 |
0.000 |
0 |
0 |
0 |
0.008 |
30 |
45 |
|
L |
3 |
2 |
21436 |
◊ |
M |
x-1/2,-y-1/2,-z |
4_445 |
2 |
2 |
21289 |
10.9 |
-0.0 |
0.596 |
0 |
0 |
0 |
0.000 |
31 |
46 |
|
L |
2 |
2 |
21436 |
x |
L |
-x,y-1/2,-z+1/2 |
3_545 |
2 |
2 |
21436 |
8.1 |
-0.1 |
0.483 |
0 |
0 |
0 |
0.000 |
|