| ## |
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 |
101 |
27 |
8571 |
◊ |
A |
x,y,z |
1_555 |
105 |
27 |
8541 |
1038.4 |
-8.6 |
0.197 |
18 |
13 |
0 |
0.222 |
2 |
|
D |
106 |
27 |
8481 |
◊ |
C |
x,y,z |
1_555 |
106 |
26 |
8567 |
1022.7 |
-8.7 |
0.212 |
14 |
13 |
0 |
0.222 |
| Average: |
1030.6 |
-8.6 |
0.205 |
16 |
13 |
0 |
0.222 |
| 2 |
3 |
|
C |
53 |
14 |
8567 |
◊ |
B |
-x,y,-z |
5_555 |
65 |
18 |
8571 |
601.3 |
-1.6 |
0.548 |
10 |
8 |
0 |
0.000 |
4 |
|
D |
50 |
14 |
8481 |
◊ |
A |
y,x,-z+1/4 |
7_555 |
65 |
18 |
8541 |
574.6 |
-1.5 |
0.512 |
9 |
8 |
0 |
0.000 |
5 |
|
C |
66 |
18 |
8567 |
◊ |
B |
y,x,-z+1/4 |
7_555 |
52 |
16 |
8571 |
539.1 |
-2.6 |
0.455 |
6 |
6 |
0 |
0.000 |
6 |
|
D |
58 |
16 |
8481 |
◊ |
A |
-x,y,-z |
5_555 |
48 |
13 |
8541 |
485.4 |
-0.5 |
0.598 |
9 |
7 |
0 |
0.000 |
| Average: |
550.1 |
-1.6 |
0.528 |
9 |
7 |
0 |
0.000 |
| 3 |
7 |
|
C |
51 |
14 |
8567 |
◊ |
D |
y-1,x,-z+1/4 |
7_455 |
51 |
13 |
8481 |
488.8 |
-3.9 |
0.296 |
7 |
0 |
0 |
0.000 |
| 4 |
8 |
|
B |
35 |
9 |
8571 |
◊ |
C |
-y,x,z-1/4 |
3_554 |
32 |
10 |
8567 |
275.0 |
-3.0 |
0.311 |
0 |
0 |
0 |
0.000 |
| 5 |
9 |
|
D |
25 |
6 |
8481 |
◊ |
A |
x,y,z |
1_555 |
25 |
6 |
8541 |
240.7 |
-0.9 |
0.497 |
2 |
0 |
0 |
0.000 |
| 6 |
10 |
|
[P6G]C:513 |
14 |
1 |
541 |
f |
C |
x,y,z |
1_555 |
21 |
7 |
8567 |
178.8 |
-0.2 |
0.343 |
1 |
0 |
0 |
0.008 |
| 7 |
11 |
|
[PCG]C:514 |
15 |
1 |
465 |
◊ |
C |
x,y,z |
1_555 |
23 |
8 |
8567 |
168.5 |
2.5 |
0.736 |
6 |
0 |
0 |
0.000 |
| 8 |
12 |
|
[GOL]C:517 |
6 |
1 |
216 |
f |
C |
x,y,z |
1_555 |
23 |
10 |
8567 |
148.5 |
-1.0 |
0.467 |
5 |
0 |
0 |
0.038 |
| 9 |
13 |
|
[GOL]B:523 |
6 |
1 |
216 |
f |
B |
x,y,z |
1_555 |
24 |
10 |
8571 |
148.0 |
-0.6 |
0.553 |
4 |
0 |
0 |
0.053 |
14 |
|
[GOL]A:525 |
6 |
1 |
217 |
f |
A |
x,y,z |
1_555 |
23 |
11 |
8541 |
147.5 |
-0.7 |
0.514 |
3 |
0 |
0 |
0.053 |
15 |
|
[GOL]D:521 |
6 |
1 |
216 |
f |
D |
x,y,z |
1_555 |
23 |
11 |
8481 |
144.9 |
-1.0 |
0.456 |
4 |
0 |
0 |
0.053 |
| Average: |
146.8 |
-0.8 |
0.507 |
4 |
0 |
0 |
0.053 |
| 10 |
16 |
|
[PGE]A:515 |
10 |
1 |
307 |
f |
A |
x,y,z |
1_555 |
20 |
8 |
8541 |
144.9 |
3.1 |
0.169 |
1 |
0 |
0 |
0.000 |
| 11 |
17 |
|
[GOL]A:520 |
6 |
1 |
218 |
◊ |
A |
x,y,z |
1_555 |
25 |
11 |
8541 |
137.9 |
-0.2 |
0.553 |
3 |
0 |
0 |
0.000 |
| 12 |
18 |
|
[P6G]C:513 |
10 |
1 |
541 |
◊ |
D |
y-1,x,-z+1/4 |
7_455 |
22 |
10 |
8481 |
133.2 |
3.7 |
0.642 |
0 |
0 |
0 |
0.000 |
| 13 |
19 |
|
[PG4]C:512 |
9 |
1 |
406 |
f |
C |
x,y,z |
1_555 |
19 |
10 |
8567 |
131.8 |
4.6 |
0.465 |
0 |
0 |
0 |
0.000 |
| 14 |
20 |
|
[GOL]D:516 |
6 |
1 |
219 |
f |
D |
x,y,z |
1_555 |
21 |
10 |
8481 |
130.4 |
-0.1 |
0.575 |
5 |
0 |
0 |
0.028 |
| 15 |
21 |
|
[GOL]C:518 |
6 |
1 |
219 |
f |
C |
x,y,z |
1_555 |
24 |
8 |
8567 |
121.3 |
-0.2 |
0.568 |
6 |
0 |
0 |
0.035 |
| 16 |
22 |
|
B |
14 |
5 |
8571 |
f |
[PCG]C:514 |
-y,x,z-1/4 |
3_554 |
12 |
1 |
465 |
119.8 |
-0.1 |
0.464 |
0 |
0 |
0 |
0.002 |
| 17 |
23 |
|
[PG4]C:512 |
7 |
1 |
406 |
◊ |
D |
y-1,x,-z+1/4 |
7_455 |
16 |
5 |
8481 |
113.5 |
2.3 |
0.381 |
0 |
0 |
0 |
0.000 |
| 18 |
24 |
|
[SO4]B:510 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
21 |
9 |
8571 |
110.7 |
-17.5 |
0.673 |
1 |
0 |
0 |
0.214 |
| 19 |
25 |
|
[SO4]A:509 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
16 |
6 |
8541 |
110.7 |
-14.4 |
0.840 |
4 |
0 |
0 |
0.194 |
| 20 |
26 |
|
[SO4]D:506 |
5 |
1 |
184 |
f |
D |
x,y,z |
1_555 |
14 |
5 |
8481 |
109.0 |
-14.3 |
0.824 |
3 |
0 |
0 |
0.187 |
| 21 |
27 |
|
[SO4]B:504 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
15 |
6 |
8571 |
105.5 |
-15.0 |
0.787 |
4 |
0 |
0 |
0.201 |
| 22 |
28 |
|
[SO4]C:501 |
5 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
15 |
6 |
8567 |
102.2 |
-13.8 |
0.787 |
2 |
0 |
0 |
0.176 |
| 23 |
29 |
|
[GOL]C:526 |
6 |
1 |
218 |
f |
C |
x,y,z |
1_555 |
13 |
6 |
8567 |
100.4 |
-0.3 |
0.528 |
1 |
0 |
0 |
0.009 |
| 24 |
30 |
|
C |
11 |
4 |
8567 |
◊ |
A |
y,x,-z+1/4 |
7_555 |
11 |
4 |
8541 |
94.3 |
-2.0 |
0.170 |
0 |
0 |
0 |
0.000 |
31 |
|
D |
10 |
4 |
8481 |
◊ |
B |
-x,y,-z |
5_555 |
11 |
4 |
8571 |
87.2 |
-2.2 |
0.161 |
0 |
0 |
0 |
0.000 |
| Average: |
90.8 |
-2.1 |
0.166 |
0 |
0 |
0 |
0.000 |
| 25 |
32 |
|
[GOL]D:522 |
6 |
1 |
213 |
f |
D |
x,y,z |
1_555 |
15 |
6 |
8481 |
92.5 |
-0.0 |
0.647 |
4 |
0 |
0 |
0.022 |
| 26 |
33 |
|
[GOL]D:524 |
6 |
1 |
214 |
f |
A |
y,x,-z+1/4 |
7_555 |
12 |
5 |
8541 |
91.2 |
-0.3 |
0.579 |
3 |
0 |
0 |
0.020 |
| 27 |
34 |
|
[SO4]D:505 |
5 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
16 |
6 |
8481 |
88.0 |
-12.9 |
0.634 |
1 |
0 |
0 |
0.159 |
| 28 |
35 |
|
B |
16 |
4 |
8571 |
f |
[SO4]C:511 |
-y,x,z-1/4 |
3_554 |
5 |
1 |
185 |
83.3 |
-10.2 |
0.695 |
1 |
0 |
0 |
0.127 |
| 29 |
36 |
|
C |
10 |
5 |
8567 |
◊ |
C |
y,x,-z+1/4 |
7_555 |
9 |
4 |
8567 |
80.7 |
-0.7 |
0.443 |
0 |
0 |
0 |
0.000 |
37 |
|
B |
6 |
2 |
8571 |
◊ |
B |
-x,y,-z |
5_555 |
6 |
2 |
8571 |
75.0 |
-1.1 |
0.256 |
0 |
0 |
0 |
0.000 |
| Average: |
77.9 |
-0.9 |
0.349 |
0 |
0 |
0 |
0.000 |
| 30 |
38 |
|
[SO4]D:502 |
5 |
1 |
186 |
f |
D |
x,y,z |
1_555 |
11 |
5 |
8481 |
80.1 |
-10.6 |
0.750 |
1 |
0 |
0 |
0.133 |
| 31 |
39 |
|
[GOL]C:526 |
6 |
1 |
218 |
◊ |
B |
y,x,-z+1/4 |
7_555 |
10 |
4 |
8571 |
78.9 |
-0.2 |
0.516 |
1 |
0 |
0 |
0.000 |
| 32 |
40 |
|
[GOL]D:519 |
6 |
1 |
216 |
f |
D |
x,y,z |
1_555 |
8 |
5 |
8481 |
78.6 |
0.8 |
0.743 |
3 |
0 |
0 |
0.006 |
| 33 |
41 |
|
[GOL]D:524 |
5 |
1 |
214 |
◊ |
D |
x,y,z |
1_555 |
9 |
4 |
8481 |
75.4 |
-0.8 |
0.419 |
1 |
0 |
0 |
0.000 |
| 34 |
42 |
|
[SO4]D:502 |
5 |
1 |
186 |
◊ |
A |
-x,y,-z |
5_555 |
10 |
4 |
8541 |
71.3 |
-9.5 |
0.629 |
1 |
0 |
0 |
0.000 |
| 35 |
43 |
|
[SO4]C:511 |
4 |
1 |
185 |
◊ |
C |
x,y,z |
1_555 |
7 |
2 |
8567 |
50.0 |
-6.5 |
0.647 |
0 |
0 |
0 |
0.000 |
| 36 |
44 |
|
[GOL]C:518 |
4 |
1 |
219 |
◊ |
D |
x,y,z |
1_555 |
7 |
2 |
8481 |
49.8 |
0.5 |
0.672 |
2 |
0 |
0 |
0.005 |
| 37 |
45 |
|
A |
6 |
2 |
8541 |
◊ |
A |
-x,y,-z |
5_555 |
6 |
2 |
8541 |
48.8 |
-0.7 |
0.383 |
0 |
0 |
0 |
0.000 |
46 |
|
D |
6 |
2 |
8481 |
◊ |
D |
y,x,-z+1/4 |
7_555 |
6 |
2 |
8481 |
41.3 |
-0.5 |
0.465 |
0 |
0 |
0 |
0.000 |
| Average: |
45.1 |
-0.6 |
0.424 |
0 |
0 |
0 |
0.000 |
| 38 |
47 |
|
D |
3 |
1 |
8481 |
◊ |
B |
y,x,-z+1/4 |
7_555 |
3 |
1 |
8571 |
32.6 |
0.7 |
0.826 |
0 |
0 |
0 |
0.000 |
48 |
|
C |
3 |
1 |
8567 |
◊ |
A |
-x,y,-z |
5_555 |
3 |
1 |
8541 |
31.9 |
0.7 |
0.819 |
0 |
0 |
0 |
0.000 |
| Average: |
32.3 |
0.7 |
0.822 |
0 |
0 |
0 |
0.000 |
| 39 |
49 |
|
[PG4]C:512 |
3 |
1 |
406 |
◊ |
[GOL]D:519 |
y-1,x,-z+1/4 |
7_455 |
3 |
1 |
216 |
31.1 |
0.8 |
0.361 |
0 |
0 |
0 |
0.000 |
| 40 |
50 |
|
[GOL]D:516 |
4 |
1 |
219 |
◊ |
A |
-x,y,-z |
5_555 |
1 |
1 |
8541 |
19.3 |
0.1 |
0.656 |
0 |
0 |
0 |
0.000 |
| 41 |
51 |
|
[GOL]D:524 |
2 |
1 |
214 |
◊ |
[GOL]A:520 |
y,x,-z+1/4 |
7_555 |
2 |
1 |
218 |
16.9 |
0.1 |
0.661 |
0 |
0 |
0 |
0.000 |
| 42 |
52 |
|
[GOL]D:516 |
1 |
1 |
219 |
f |
[SO4]D:502 |
x,y,z |
1_555 |
1 |
1 |
186 |
8.0 |
-0.9 |
0.632 |
0 |
0 |
0 |
0.011 |
| 43 |
53 |
|
[GOL]A:520 |
2 |
1 |
218 |
f |
D |
y,x,-z+1/4 |
7_555 |
3 |
1 |
8481 |
6.8 |
-0.1 |
0.566 |
0 |
0 |
0 |
0.002 |
| 44 |
54 |
|
[SO4]B:510 |
2 |
1 |
186 |
◊ |
C |
-x,y,-z |
5_555 |
2 |
1 |
8567 |
2.2 |
-0.3 |
0.805 |
0 |
0 |
0 |
0.000 |
| 45 |
55 |
|
[GOL]D:519 |
1 |
1 |
216 |
f |
[SO4]D:505 |
x,y,z |
1_555 |
1 |
1 |
185 |
0.8 |
-0.1 |
0.707 |
0 |
0 |
0 |
0.001 |
|