| ## |
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 |
|
B |
1409 |
360 |
51281 |
◊ |
A |
x,y,z |
1_555 |
1409 |
358 |
51245 |
13279.6 |
-132.3 |
0.028 |
167 |
50 |
0 |
0.557 |
| 2 |
2 |
|
A |
43 |
12 |
51245 |
◊ |
B |
-x-1,y-1/2,-z+1/2 |
3_445 |
48 |
15 |
51281 |
371.8 |
-2.1 |
0.594 |
3 |
0 |
0 |
0.000 |
| 3 |
3 |
|
[TPP]B:1243 |
26 |
1 |
595 |
f |
B |
x,y,z |
1_555 |
65 |
29 |
51281 |
371.7 |
-7.6 |
0.495 |
9 |
0 |
0 |
0.061 |
4 |
|
[TPP]A:1236 |
26 |
1 |
594 |
f |
A |
x,y,z |
1_555 |
67 |
29 |
51245 |
369.9 |
-7.7 |
0.510 |
9 |
0 |
0 |
0.061 |
| Average: |
370.8 |
-7.6 |
0.502 |
9 |
0 |
0 |
0.061 |
| 4 |
5 |
|
A |
43 |
15 |
51245 |
◊ |
B |
-x,y-1/2,-z+1/2 |
3_545 |
35 |
10 |
51281 |
315.7 |
-0.7 |
0.707 |
3 |
0 |
0 |
0.000 |
| 5 |
6 |
|
B |
27 |
10 |
51281 |
x |
B |
-x,y-1/2,-z+1/2 |
3_545 |
43 |
13 |
51281 |
314.7 |
-2.9 |
0.446 |
0 |
1 |
0 |
0.000 |
| 6 |
7 |
|
A |
28 |
8 |
51245 |
x |
A |
x-1,y,z |
1_455 |
25 |
7 |
51245 |
195.5 |
-0.4 |
0.691 |
2 |
1 |
0 |
0.000 |
| 7 |
8 |
|
B |
22 |
6 |
51281 |
x |
B |
x-1/2,-y-1/2,-z |
4_445 |
15 |
4 |
51281 |
187.7 |
-0.5 |
0.634 |
2 |
0 |
0 |
0.000 |
| 8 |
9 |
|
[SF4]A:1234 |
8 |
1 |
306 |
f |
A |
x,y,z |
1_555 |
23 |
13 |
51245 |
177.8 |
-20.6 |
0.462 |
1 |
0 |
0 |
0.109 |
10 |
|
[SF4]B:1241 |
8 |
1 |
305 |
f |
B |
x,y,z |
1_555 |
22 |
13 |
51281 |
177.5 |
-20.5 |
0.441 |
1 |
0 |
0 |
0.109 |
| Average: |
177.7 |
-20.5 |
0.452 |
1 |
0 |
0 |
0.109 |
| 9 |
11 |
|
[SF4]B:1240 |
8 |
1 |
308 |
f |
B |
x,y,z |
1_555 |
20 |
13 |
51281 |
176.8 |
-20.7 |
0.326 |
2 |
0 |
0 |
0.113 |
12 |
|
[SF4]A:1233 |
8 |
1 |
309 |
f |
A |
x,y,z |
1_555 |
19 |
12 |
51245 |
176.5 |
-20.7 |
0.405 |
2 |
0 |
0 |
0.113 |
| Average: |
176.6 |
-20.7 |
0.365 |
2 |
0 |
0 |
0.113 |
| 10 |
13 |
|
[SF4]B:1242 |
8 |
1 |
310 |
f |
B |
x,y,z |
1_555 |
28 |
15 |
51281 |
164.7 |
-17.8 |
0.460 |
0 |
0 |
0 |
0.093 |
14 |
|
[SF4]A:1235 |
8 |
1 |
307 |
f |
A |
x,y,z |
1_555 |
24 |
15 |
51245 |
164.3 |
-17.8 |
0.347 |
0 |
0 |
0 |
0.093 |
| Average: |
164.5 |
-17.8 |
0.404 |
0 |
0 |
0 |
0.093 |
| 11 |
15 |
|
B |
23 |
10 |
51281 |
◊ |
A |
x-1/2,-y-1/2,-z |
4_445 |
23 |
10 |
51245 |
160.9 |
2.3 |
0.882 |
1 |
1 |
0 |
0.000 |
| 12 |
16 |
|
[PYR]A:1239 |
6 |
1 |
219 |
◊ |
A |
x,y,z |
1_555 |
17 |
10 |
51245 |
105.4 |
2.7 |
0.544 |
4 |
0 |
0 |
0.000 |
17 |
|
[PYR]B:1246 |
6 |
1 |
219 |
◊ |
B |
x,y,z |
1_555 |
18 |
9 |
51281 |
105.1 |
2.7 |
0.545 |
4 |
0 |
0 |
0.000 |
| Average: |
105.2 |
2.7 |
0.545 |
4 |
0 |
0 |
0.000 |
| 13 |
18 |
|
B |
11 |
6 |
51281 |
◊ |
A |
x-1,y,z |
1_455 |
12 |
6 |
51245 |
77.3 |
-0.8 |
0.511 |
0 |
0 |
0 |
0.000 |
| 14 |
19 |
|
B |
4 |
1 |
51281 |
x |
B |
x-1,y,z |
1_455 |
8 |
2 |
51281 |
50.3 |
-0.2 |
0.626 |
0 |
0 |
0 |
0.000 |
| 15 |
20 |
|
[PYR]B:1246 |
6 |
1 |
219 |
◊ |
[TPP]B:1243 |
x,y,z |
1_555 |
7 |
1 |
595 |
47.7 |
1.6 |
0.900 |
1 |
0 |
0 |
0.000 |
21 |
|
[PYR]A:1239 |
6 |
1 |
219 |
◊ |
[TPP]A:1236 |
x,y,z |
1_555 |
7 |
1 |
594 |
47.3 |
1.6 |
0.909 |
1 |
0 |
0 |
0.000 |
| Average: |
47.5 |
1.6 |
0.905 |
1 |
0 |
0 |
0.000 |
| 16 |
22 |
|
[MG]A:1237 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
13 |
9 |
51245 |
36.8 |
-5.7 |
0.000 |
0 |
0 |
0 |
0.030 |
23 |
|
[MG]B:1244 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
11 |
8 |
51281 |
36.6 |
-5.7 |
0.000 |
0 |
0 |
0 |
0.030 |
| Average: |
36.7 |
-5.7 |
0.000 |
0 |
0 |
0 |
0.030 |
| 17 |
24 |
|
[SF4]B:1242 |
4 |
1 |
310 |
◊ |
A |
x,y,z |
1_555 |
3 |
2 |
51245 |
34.9 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.010 |
25 |
|
[SF4]A:1235 |
4 |
1 |
307 |
◊ |
B |
x,y,z |
1_555 |
3 |
2 |
51281 |
32.1 |
-1.9 |
0.000 |
0 |
0 |
0 |
0.010 |
| Average: |
33.5 |
-1.9 |
0.000 |
0 |
0 |
0 |
0.010 |
| 18 |
26 |
|
[PYR]A:1239 |
3 |
1 |
219 |
f |
B |
x,y,z |
1_555 |
3 |
1 |
51281 |
32.3 |
-0.4 |
0.084 |
0 |
0 |
0 |
0.002 |
27 |
|
[PYR]B:1246 |
3 |
1 |
219 |
f |
A |
x,y,z |
1_555 |
3 |
1 |
51245 |
32.0 |
-0.4 |
0.085 |
0 |
0 |
0 |
0.002 |
| Average: |
32.1 |
-0.4 |
0.084 |
0 |
0 |
0 |
0.002 |
| 19 |
28 |
|
[TPP]A:1236 |
4 |
1 |
594 |
f |
[MG]A:1237 |
x,y,z |
1_555 |
1 |
1 |
98 |
32.0 |
-5.3 |
0.000 |
0 |
0 |
0 |
0.027 |
29 |
|
[TPP]B:1243 |
4 |
1 |
595 |
f |
[MG]B:1244 |
x,y,z |
1_555 |
1 |
1 |
98 |
31.8 |
-5.3 |
0.000 |
0 |
0 |
0 |
0.027 |
| Average: |
31.9 |
-5.3 |
0.000 |
0 |
0 |
0 |
0.027 |
| 20 |
30 |
|
A |
2 |
1 |
51245 |
◊ |
B |
-x-1/2,-y-1,z-1/2 |
2_444 |
1 |
1 |
51281 |
24.8 |
1.4 |
0.952 |
0 |
0 |
0 |
0.000 |
| 21 |
31 |
|
[TPP]A:1236 |
4 |
1 |
594 |
f |
[SF4]A:1235 |
x,y,z |
1_555 |
2 |
1 |
307 |
19.6 |
-1.9 |
0.000 |
0 |
0 |
0 |
0.010 |
32 |
|
[TPP]B:1243 |
4 |
1 |
595 |
f |
[SF4]B:1242 |
x,y,z |
1_555 |
2 |
1 |
310 |
19.3 |
-1.9 |
0.000 |
0 |
0 |
0 |
0.010 |
| Average: |
19.5 |
-1.9 |
0.000 |
0 |
0 |
0 |
0.010 |
| 22 |
33 |
|
A |
1 |
1 |
51245 |
x |
A |
x-1/2,-y-3/2,-z |
4_435 |
4 |
1 |
51245 |
11.3 |
0.0 |
0.691 |
0 |
0 |
0 |
0.000 |
| 23 |
34 |
|
A |
3 |
1 |
51245 |
◊ |
B |
x-1/2,-y-1/2,-z |
4_445 |
1 |
1 |
51281 |
3.9 |
0.0 |
0.678 |
0 |
0 |
0 |
0.000 |
| 24 |
35 |
|
[SF4]B:1241 |
1 |
1 |
305 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
51245 |
0.2 |
-0.0 |
0.000 |
0 |
0 |
0 |
0.000 |
|