| ## |
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 |
|
L |
402 |
111 |
21381 |
◊ |
S |
x,y,z |
1_555 |
398 |
101 |
12982 |
3868.1 |
-36.6 |
0.030 |
61 |
9 |
0 |
0.308 |
2 |
|
M |
401 |
110 |
21264 |
◊ |
T |
x,y,z |
1_555 |
394 |
102 |
13025 |
3849.6 |
-37.7 |
0.026 |
60 |
8 |
0 |
0.308 |
| Average: |
3858.8 |
-37.1 |
0.028 |
61 |
9 |
0 |
0.308 |
| 2 |
3 |
|
M |
75 |
19 |
21264 |
◊ |
S |
x,y,z |
1_555 |
93 |
24 |
12982 |
791.4 |
-12.4 |
0.039 |
5 |
2 |
0 |
0.092 |
4 |
|
L |
79 |
19 |
21381 |
◊ |
T |
x,y,z |
1_555 |
91 |
24 |
13025 |
788.4 |
-12.5 |
0.041 |
5 |
2 |
0 |
0.092 |
| Average: |
789.9 |
-12.4 |
0.040 |
5 |
2 |
0 |
0.092 |
| 3 |
5 |
|
T |
72 |
21 |
13025 |
◊ |
S |
x,y,z |
1_555 |
71 |
22 |
12982 |
651.6 |
-0.4 |
0.739 |
9 |
1 |
0 |
0.009 |
| 4 |
6 |
|
L |
51 |
15 |
21381 |
◊ |
M |
-x-1/2,-y,z-1/2 |
2_454 |
57 |
18 |
21264 |
523.2 |
1.6 |
0.774 |
8 |
9 |
0 |
0.000 |
| 5 |
7 |
|
M |
45 |
13 |
21264 |
◊ |
L |
x,y,z |
1_555 |
45 |
13 |
21381 |
408.6 |
-6.1 |
0.088 |
10 |
0 |
0 |
0.021 |
| 6 |
8 |
|
[LMT]T:405 |
14 |
1 |
470 |
f |
T |
x,y,z |
1_555 |
42 |
17 |
13025 |
309.4 |
6.6 |
0.278 |
0 |
0 |
0 |
0.000 |
9 |
|
[LMT]S:405 |
14 |
1 |
469 |
f |
S |
x,y,z |
1_555 |
43 |
17 |
12982 |
307.9 |
6.4 |
0.274 |
0 |
0 |
0 |
0.000 |
| Average: |
308.6 |
6.5 |
0.276 |
0 |
0 |
0 |
0.000 |
| 7 |
10 |
|
M |
37 |
13 |
21264 |
◊ |
L |
x-1/2,-y-1/2,-z |
4_445 |
28 |
13 |
21381 |
254.1 |
0.1 |
0.558 |
2 |
0 |
0 |
0.000 |
| 8 |
11 |
|
S |
27 |
7 |
12982 |
◊ |
M |
x-1/2,-y-1/2,-z |
4_445 |
29 |
7 |
21264 |
209.5 |
-0.9 |
0.526 |
1 |
0 |
0 |
0.000 |
| 9 |
12 |
|
L |
18 |
5 |
21381 |
◊ |
M |
-x+1/2,-y,z-1/2 |
2_554 |
20 |
7 |
21264 |
185.8 |
1.2 |
0.583 |
2 |
0 |
0 |
0.000 |
| 10 |
13 |
|
[SF4]S:401 |
8 |
1 |
309 |
f |
S |
x,y,z |
1_555 |
24 |
13 |
12982 |
185.1 |
-20.1 |
0.449 |
0 |
0 |
0 |
0.124 |
14 |
|
[SF4]T:401 |
8 |
1 |
310 |
f |
T |
x,y,z |
1_555 |
24 |
13 |
13025 |
184.4 |
-20.1 |
0.453 |
0 |
0 |
0 |
0.124 |
| Average: |
184.8 |
-20.1 |
0.451 |
0 |
0 |
0 |
0.124 |
| 11 |
15 |
|
[F3S]S:402 |
7 |
1 |
302 |
f |
S |
x,y,z |
1_555 |
29 |
14 |
12982 |
177.3 |
-17.3 |
0.330 |
2 |
0 |
0 |
0.111 |
16 |
|
[F3S]T:402 |
7 |
1 |
301 |
f |
T |
x,y,z |
1_555 |
31 |
14 |
13025 |
176.4 |
-17.2 |
0.393 |
2 |
0 |
0 |
0.111 |
| Average: |
176.8 |
-17.3 |
0.362 |
2 |
0 |
0 |
0.111 |
| 12 |
17 |
|
M |
16 |
7 |
21264 |
x |
M |
-x,y-1/2,-z+1/2 |
3_545 |
19 |
6 |
21264 |
162.7 |
0.9 |
0.729 |
3 |
0 |
0 |
0.000 |
| 13 |
18 |
|
[SF3]S:404 |
7 |
1 |
322 |
f |
[F4S]S:403 |
x,y,z |
1_555 |
7 |
1 |
306 |
131.4 |
-18.9 |
0.788 |
0 |
0 |
0 |
0.115 |
19 |
|
[SF3]T:404 |
7 |
1 |
321 |
f |
[F4S]T:403 |
x,y,z |
1_555 |
7 |
1 |
304 |
130.6 |
-18.8 |
0.731 |
0 |
0 |
0 |
0.115 |
| Average: |
131.0 |
-18.8 |
0.760 |
0 |
0 |
0 |
0.115 |
| 14 |
20 |
|
[FCO]M:601 |
7 |
1 |
263 |
f |
M |
x,y,z |
1_555 |
16 |
10 |
21264 |
125.7 |
-1.7 |
0.273 |
0 |
0 |
0 |
0.011 |
21 |
|
[FCO]L:601 |
7 |
1 |
262 |
f |
L |
x,y,z |
1_555 |
16 |
10 |
21381 |
125.1 |
-1.7 |
0.270 |
0 |
0 |
0 |
0.011 |
| Average: |
125.4 |
-1.7 |
0.271 |
0 |
0 |
0 |
0.011 |
| 15 |
22 |
|
T |
13 |
5 |
13025 |
◊ |
L |
x-1/2,-y-1/2,-z |
4_445 |
10 |
3 |
21381 |
116.8 |
2.5 |
0.871 |
2 |
2 |
0 |
0.000 |
| 16 |
23 |
|
[GOL]L:605 |
6 |
1 |
216 |
f |
L |
x,y,z |
1_555 |
19 |
9 |
21381 |
112.4 |
-0.3 |
0.518 |
2 |
0 |
0 |
0.008 |
| 17 |
24 |
|
[GOL]L:606 |
6 |
1 |
220 |
f |
L |
x,y,z |
1_555 |
16 |
7 |
21381 |
102.9 |
-0.6 |
0.420 |
4 |
0 |
0 |
0.014 |
| 18 |
25 |
|
[SF3]S:404 |
7 |
1 |
322 |
f |
S |
x,y,z |
1_555 |
23 |
14 |
12982 |
102.2 |
-13.4 |
0.336 |
2 |
0 |
0 |
0.088 |
26 |
|
[SF3]T:404 |
7 |
1 |
321 |
f |
T |
x,y,z |
1_555 |
21 |
13 |
13025 |
100.9 |
-13.4 |
0.295 |
2 |
0 |
0 |
0.088 |
| Average: |
101.5 |
-13.4 |
0.315 |
2 |
0 |
0 |
0.088 |
| 19 |
27 |
|
S |
10 |
2 |
12982 |
◊ |
M |
-x-1/2,-y,z-1/2 |
2_454 |
11 |
5 |
21264 |
95.1 |
0.2 |
0.665 |
0 |
0 |
0 |
0.000 |
28 |
|
L |
10 |
4 |
21381 |
◊ |
T |
-x-1/2,-y,z-1/2 |
2_454 |
10 |
2 |
13025 |
87.1 |
0.1 |
0.652 |
0 |
0 |
0 |
0.000 |
| Average: |
91.1 |
0.1 |
0.659 |
0 |
0 |
0 |
0.000 |
| 20 |
29 |
|
[F4S]S:403 |
7 |
1 |
306 |
f |
S |
x,y,z |
1_555 |
23 |
14 |
12982 |
94.2 |
-11.9 |
0.292 |
1 |
0 |
0 |
0.075 |
30 |
|
[F4S]T:403 |
7 |
1 |
304 |
f |
T |
x,y,z |
1_555 |
21 |
13 |
13025 |
92.5 |
-11.8 |
0.257 |
1 |
0 |
0 |
0.075 |
| Average: |
93.4 |
-11.9 |
0.274 |
1 |
0 |
0 |
0.075 |
| 21 |
31 |
|
[LI]M:605 |
1 |
1 |
130 |
f |
M |
x,y,z |
1_555 |
20 |
8 |
21264 |
90.0 |
-5.6 |
0.000 |
0 |
0 |
0 |
0.034 |
| 22 |
32 |
|
[SO4]T:408 |
5 |
1 |
185 |
f |
T |
x,y,z |
1_555 |
14 |
5 |
13025 |
81.4 |
-11.8 |
0.700 |
3 |
0 |
0 |
0.081 |
| 23 |
33 |
|
M |
8 |
3 |
21264 |
◊ |
[GOL]L:606 |
x-1/2,-y-1/2,-z |
4_445 |
5 |
1 |
220 |
78.0 |
-1.5 |
0.265 |
0 |
0 |
0 |
0.000 |
| 24 |
34 |
|
[CL]M:606 |
1 |
1 |
125 |
f |
M |
x,y,z |
1_555 |
14 |
7 |
21264 |
74.0 |
-11.4 |
0.000 |
0 |
0 |
0 |
0.069 |
| 25 |
35 |
|
[CL]S:408 |
1 |
1 |
125 |
f |
S |
x,y,z |
1_555 |
15 |
9 |
12982 |
73.0 |
-12.0 |
0.000 |
0 |
0 |
0 |
0.073 |
36 |
|
[CL]T:409 |
1 |
1 |
125 |
f |
T |
x,y,z |
1_555 |
15 |
9 |
13025 |
72.7 |
-11.9 |
0.000 |
0 |
0 |
0 |
0.073 |
| Average: |
72.8 |
-11.9 |
0.000 |
0 |
0 |
0 |
0.073 |
| 26 |
37 |
|
[SO4]S:407 |
4 |
1 |
185 |
f |
S |
x,y,z |
1_555 |
6 |
3 |
12982 |
70.7 |
-7.8 |
0.968 |
3 |
0 |
0 |
0.055 |
| 27 |
38 |
|
[SO4]T:407 |
4 |
1 |
185 |
f |
T |
x,y,z |
1_555 |
7 |
3 |
13025 |
70.3 |
-8.4 |
0.950 |
3 |
0 |
0 |
0.060 |
| 28 |
39 |
|
[SO4]S:406 |
5 |
1 |
183 |
f |
L |
x,y,z |
1_555 |
9 |
4 |
21381 |
68.8 |
-9.8 |
0.667 |
2 |
0 |
0 |
0.066 |
| 29 |
40 |
|
[SO4]T:406 |
5 |
1 |
185 |
f |
M |
x,y,z |
1_555 |
10 |
4 |
21264 |
67.9 |
-9.5 |
0.654 |
2 |
0 |
0 |
0.062 |
| 30 |
41 |
|
[LI]L:604 |
1 |
1 |
130 |
f |
L |
x,y,z |
1_555 |
12 |
6 |
21381 |
62.8 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.026 |
| 31 |
42 |
|
[SO4]M:604 |
5 |
1 |
185 |
f |
M |
x,y,z |
1_555 |
7 |
5 |
21264 |
55.0 |
-6.2 |
0.937 |
3 |
0 |
0 |
0.046 |
| 32 |
43 |
|
[MG]L:603 |
1 |
1 |
98 |
f |
L |
x,y,z |
1_555 |
11 |
6 |
21381 |
52.3 |
-9.6 |
0.000 |
0 |
0 |
0 |
0.059 |
44 |
|
[MG]M:603 |
1 |
1 |
98 |
f |
M |
x,y,z |
1_555 |
11 |
6 |
21264 |
51.9 |
-9.6 |
0.000 |
0 |
0 |
0 |
0.059 |
| Average: |
52.1 |
-9.6 |
0.000 |
0 |
0 |
0 |
0.059 |
| 33 |
45 |
|
[SO4]T:406 |
4 |
1 |
185 |
◊ |
L |
x-1/2,-y-1/2,-z |
4_445 |
5 |
4 |
21381 |
44.2 |
-4.5 |
0.932 |
1 |
0 |
0 |
0.000 |
| 34 |
46 |
|
[SO4]T:406 |
4 |
1 |
185 |
◊ |
T |
x,y,z |
1_555 |
2 |
1 |
13025 |
40.9 |
-3.7 |
0.982 |
2 |
0 |
0 |
0.019 |
| 35 |
47 |
|
[SO4]S:406 |
3 |
1 |
183 |
◊ |
S |
x,y,z |
1_555 |
2 |
1 |
12982 |
40.8 |
-3.6 |
0.980 |
2 |
0 |
0 |
0.021 |
| 36 |
48 |
|
S |
2 |
1 |
12982 |
◊ |
[SO4]M:604 |
-x-1/2,-y,z-1/2 |
2_454 |
4 |
1 |
185 |
37.4 |
-3.3 |
0.981 |
3 |
0 |
0 |
0.000 |
| 37 |
49 |
|
[F3S]S:402 |
3 |
1 |
302 |
◊ |
L |
x,y,z |
1_555 |
5 |
3 |
21381 |
37.3 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.010 |
50 |
|
[F3S]T:402 |
3 |
1 |
301 |
◊ |
M |
x,y,z |
1_555 |
5 |
3 |
21264 |
37.1 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.010 |
| Average: |
37.2 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.010 |
| 38 |
51 |
|
[SF3]S:404 |
3 |
1 |
322 |
◊ |
L |
x,y,z |
1_555 |
10 |
4 |
21381 |
36.4 |
-2.5 |
0.844 |
0 |
0 |
0 |
0.012 |
52 |
|
[SF3]T:404 |
3 |
1 |
321 |
◊ |
M |
x,y,z |
1_555 |
9 |
4 |
21264 |
36.3 |
-2.6 |
0.831 |
0 |
0 |
0 |
0.012 |
| Average: |
36.4 |
-2.5 |
0.837 |
0 |
0 |
0 |
0.012 |
| 39 |
53 |
|
[F4S]S:403 |
4 |
1 |
306 |
◊ |
L |
x,y,z |
1_555 |
10 |
4 |
21381 |
35.6 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.011 |
54 |
|
[F4S]T:403 |
4 |
1 |
304 |
◊ |
M |
x,y,z |
1_555 |
9 |
4 |
21264 |
35.5 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.011 |
| Average: |
35.5 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.011 |
| 40 |
55 |
|
T |
4 |
1 |
13025 |
◊ |
L |
x-1/2,-y+1/2,-z |
4_455 |
1 |
1 |
21381 |
35.5 |
-0.7 |
0.095 |
0 |
0 |
0 |
0.000 |
| 41 |
56 |
|
M |
3 |
2 |
21264 |
◊ |
S |
x-1/2,-y-1/2,-z |
4_445 |
6 |
3 |
12982 |
34.6 |
0.1 |
0.630 |
0 |
0 |
0 |
0.000 |
| 42 |
57 |
|
[3NI]M:602 |
1 |
1 |
115 |
f |
[FCO]M:601 |
x,y,z |
1_555 |
3 |
1 |
263 |
33.2 |
-6.1 |
0.000 |
0 |
0 |
0 |
0.038 |
58 |
|
[3NI]L:602 |
1 |
1 |
115 |
f |
[FCO]L:601 |
x,y,z |
1_555 |
3 |
1 |
262 |
32.9 |
-6.1 |
0.000 |
0 |
0 |
0 |
0.038 |
| Average: |
33.1 |
-6.1 |
0.000 |
0 |
0 |
0 |
0.038 |
| 43 |
59 |
|
L |
1 |
1 |
21381 |
◊ |
T |
x-1/2,-y+1/2,-z |
4_455 |
3 |
1 |
13025 |
28.0 |
-0.2 |
0.179 |
0 |
0 |
0 |
0.000 |
| 44 |
60 |
|
L |
3 |
2 |
21381 |
◊ |
M |
x-1/2,-y+1/2,-z |
4_455 |
2 |
2 |
21264 |
11.0 |
-0.1 |
0.558 |
0 |
0 |
0 |
0.000 |
| 45 |
61 |
|
L |
1 |
1 |
21381 |
x |
L |
-x,y-1/2,-z-1/2 |
3_544 |
1 |
1 |
21381 |
2.4 |
-0.1 |
0.388 |
0 |
0 |
0 |
0.000 |
| 46 |
62 |
|
M |
1 |
1 |
21264 |
◊ |
T |
-x,y-1/2,-z+1/2 |
3_545 |
1 |
1 |
13025 |
2.0 |
0.0 |
0.737 |
0 |
0 |
0 |
0.000 |
|