| ## |
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 |
380 |
84 |
17148 |
◊ |
C |
x,y,z |
1_555 |
375 |
84 |
17276 |
3629.0 |
-32.3 |
0.017 |
50 |
11 |
0 |
0.345 |
2 |
|
B |
381 |
83 |
16960 |
◊ |
A |
x,y,z |
1_555 |
383 |
86 |
16931 |
3593.4 |
-33.6 |
0.024 |
45 |
13 |
0 |
0.345 |
3 |
|
F |
380 |
84 |
16954 |
◊ |
E |
x,y,z |
1_555 |
371 |
83 |
16788 |
3580.3 |
-33.9 |
0.018 |
47 |
12 |
0 |
0.345 |
| Average: |
3600.9 |
-33.3 |
0.020 |
47 |
12 |
0 |
0.345 |
| 2 |
4 |
|
[NAP]A:401 |
46 |
1 |
926 |
f |
A |
x,y,z |
1_555 |
93 |
33 |
16931 |
670.9 |
-3.2 |
0.455 |
14 |
0 |
0 |
0.161 |
5 |
|
[NAP]B:402 |
48 |
1 |
919 |
f |
B |
x,y,z |
1_555 |
92 |
35 |
16960 |
663.6 |
-5.0 |
0.267 |
16 |
0 |
0 |
0.161 |
6 |
|
[NAP]F:406 |
48 |
1 |
924 |
f |
F |
x,y,z |
1_555 |
89 |
31 |
16954 |
663.2 |
-4.5 |
0.321 |
21 |
0 |
0 |
0.161 |
7 |
|
[NAP]C:403 |
48 |
1 |
910 |
f |
C |
x,y,z |
1_555 |
93 |
37 |
17276 |
663.1 |
-4.7 |
0.299 |
14 |
0 |
0 |
0.161 |
8 |
|
[NAP]E:405 |
48 |
1 |
924 |
f |
E |
x,y,z |
1_555 |
94 |
34 |
16788 |
660.3 |
-4.7 |
0.328 |
18 |
0 |
0 |
0.161 |
9 |
|
[NAP]D:404 |
48 |
1 |
931 |
f |
D |
x,y,z |
1_555 |
91 |
35 |
17148 |
657.7 |
-3.3 |
0.361 |
19 |
0 |
0 |
0.161 |
| Average: |
663.1 |
-4.2 |
0.339 |
17 |
0 |
0 |
0.161 |
| 3 |
10 |
|
C |
63 |
19 |
17276 |
◊ |
A |
x,y,z |
1_555 |
52 |
13 |
16931 |
561.8 |
-0.2 |
0.460 |
9 |
7 |
0 |
0.000 |
11 |
|
D |
67 |
19 |
17148 |
◊ |
B |
x,y-1,z-1 |
1_544 |
50 |
12 |
16960 |
557.8 |
0.9 |
0.583 |
7 |
6 |
0 |
0.000 |
| Average: |
559.8 |
0.3 |
0.522 |
8 |
7 |
0 |
0.000 |
| 4 |
12 |
|
E |
48 |
14 |
16788 |
◊ |
C |
x,y,z |
1_555 |
49 |
14 |
17276 |
406.9 |
4.7 |
0.862 |
4 |
7 |
0 |
0.000 |
| 5 |
13 |
|
F |
44 |
13 |
16954 |
◊ |
A |
x,y,z |
1_555 |
51 |
15 |
16931 |
388.9 |
0.9 |
0.635 |
1 |
3 |
0 |
0.000 |
| 6 |
14 |
|
E |
32 |
10 |
16788 |
◊ |
B |
x-1,y-1,z-1 |
1_444 |
42 |
11 |
16960 |
320.2 |
2.5 |
0.781 |
2 |
0 |
0 |
0.000 |
| 7 |
15 |
|
D |
27 |
8 |
17148 |
◊ |
B |
x,y,z-1 |
1_554 |
21 |
5 |
16960 |
202.1 |
-1.6 |
0.384 |
1 |
2 |
0 |
0.000 |
| 8 |
16 |
|
E |
23 |
7 |
16788 |
◊ |
D |
x,y-1,z |
1_545 |
22 |
7 |
17148 |
162.7 |
2.2 |
0.762 |
2 |
2 |
0 |
0.000 |
| 9 |
17 |
|
D |
18 |
6 |
17148 |
◊ |
A |
x,y,z-1 |
1_554 |
13 |
3 |
16931 |
119.7 |
-0.7 |
0.480 |
1 |
1 |
0 |
0.000 |
| 10 |
18 |
|
F |
13 |
3 |
16954 |
x |
F |
x-1,y,z |
1_455 |
14 |
4 |
16954 |
115.1 |
-0.7 |
0.465 |
0 |
0 |
0 |
0.000 |
| 11 |
19 |
|
[SO4]D:504 |
5 |
1 |
187 |
f |
D |
x,y,z |
1_555 |
13 |
7 |
17148 |
115.1 |
-14.4 |
0.869 |
4 |
0 |
0 |
0.100 |
| 12 |
20 |
|
A |
17 |
5 |
16931 |
x |
A |
x-1,y,z |
1_455 |
11 |
3 |
16931 |
113.7 |
1.6 |
0.744 |
0 |
0 |
0 |
0.000 |
| 13 |
21 |
|
E |
16 |
8 |
16788 |
◊ |
C |
x,y-1,z |
1_545 |
20 |
8 |
17276 |
111.2 |
2.2 |
0.758 |
1 |
2 |
0 |
0.000 |
| 14 |
22 |
|
[SO4]C:502 |
5 |
1 |
187 |
f |
C |
x,y,z |
1_555 |
13 |
6 |
17276 |
98.0 |
-13.5 |
0.871 |
4 |
0 |
0 |
0.094 |
| 15 |
23 |
|
F |
10 |
3 |
16954 |
◊ |
D |
x,y-1,z |
1_545 |
10 |
3 |
17148 |
97.1 |
1.2 |
0.757 |
2 |
3 |
0 |
0.000 |
| 16 |
24 |
|
[SO4]A:501 |
5 |
1 |
188 |
f |
A |
x,y,z |
1_555 |
12 |
6 |
16931 |
94.9 |
-12.7 |
0.863 |
5 |
0 |
0 |
0.092 |
| 17 |
25 |
|
[SO4]B:503 |
5 |
1 |
187 |
f |
B |
x,y,z |
1_555 |
14 |
7 |
16960 |
94.3 |
-12.4 |
0.850 |
5 |
0 |
0 |
0.091 |
| 18 |
26 |
|
[SO4]F:506 |
5 |
1 |
188 |
f |
F |
x,y,z |
1_555 |
13 |
6 |
16954 |
93.5 |
-12.9 |
0.798 |
3 |
0 |
0 |
0.087 |
| 19 |
27 |
|
[SO4]F:512 |
5 |
1 |
188 |
f |
F |
x,y,z |
1_555 |
15 |
9 |
16954 |
93.2 |
-15.2 |
0.468 |
6 |
0 |
0 |
0.109 |
| 20 |
28 |
|
[SO4]E:505 |
5 |
1 |
187 |
f |
E |
x,y,z |
1_555 |
16 |
8 |
16788 |
90.9 |
-12.6 |
0.817 |
4 |
0 |
0 |
0.087 |
| 21 |
29 |
|
[SO4]A:507 |
5 |
1 |
187 |
f |
A |
x,y,z |
1_555 |
16 |
10 |
16931 |
90.6 |
-14.0 |
0.695 |
5 |
0 |
0 |
0.100 |
| 22 |
30 |
|
[SO4]D:510 |
5 |
1 |
189 |
f |
D |
x,y,z |
1_555 |
16 |
10 |
17148 |
90.2 |
-14.1 |
0.505 |
4 |
0 |
0 |
0.098 |
| 23 |
31 |
|
[SO4]C:508 |
5 |
1 |
188 |
f |
C |
x,y,z |
1_555 |
16 |
10 |
17276 |
89.0 |
-14.4 |
0.519 |
5 |
0 |
0 |
0.102 |
| 24 |
32 |
|
[SO4]E:511 |
5 |
1 |
187 |
f |
E |
x,y,z |
1_555 |
15 |
9 |
16788 |
88.8 |
-14.0 |
0.610 |
4 |
0 |
0 |
0.096 |
| 25 |
33 |
|
C |
13 |
5 |
17276 |
◊ |
F |
x-1,y+1,z |
1_465 |
7 |
2 |
16954 |
88.4 |
0.4 |
0.665 |
0 |
0 |
0 |
0.000 |
| 26 |
34 |
|
[SO4]B:509 |
5 |
1 |
188 |
f |
B |
x,y,z |
1_555 |
19 |
10 |
16960 |
88.0 |
-14.1 |
0.562 |
3 |
0 |
0 |
0.096 |
| 27 |
35 |
|
F |
7 |
3 |
16954 |
◊ |
A |
x,y-1,z |
1_545 |
8 |
4 |
16931 |
69.3 |
1.2 |
0.798 |
2 |
0 |
0 |
0.000 |
| 28 |
36 |
|
A |
10 |
3 |
16931 |
◊ |
B |
x-1,y,z |
1_455 |
6 |
3 |
16960 |
60.8 |
1.5 |
0.821 |
1 |
1 |
0 |
0.000 |
| 29 |
37 |
|
C |
4 |
1 |
17276 |
◊ |
B |
x-1,y,z |
1_455 |
7 |
3 |
16960 |
59.2 |
-2.0 |
0.073 |
0 |
0 |
0 |
0.000 |
| 30 |
38 |
|
E |
9 |
5 |
16788 |
◊ |
F |
x-1,y,z |
1_455 |
6 |
3 |
16954 |
55.8 |
1.6 |
0.828 |
0 |
0 |
0 |
0.000 |
| 31 |
39 |
|
F |
8 |
2 |
16954 |
◊ |
D |
x,y,z |
1_555 |
7 |
1 |
17148 |
55.4 |
1.4 |
0.790 |
1 |
1 |
0 |
0.000 |
| 32 |
40 |
|
[NAP]A:401 |
9 |
1 |
926 |
f |
[SO4]A:507 |
x,y,z |
1_555 |
4 |
1 |
187 |
53.9 |
-7.3 |
0.624 |
0 |
0 |
0 |
0.045 |
| 33 |
41 |
|
[NAP]C:403 |
10 |
1 |
910 |
f |
[SO4]C:508 |
x,y,z |
1_555 |
5 |
1 |
188 |
52.5 |
-7.0 |
0.630 |
0 |
0 |
0 |
0.043 |
| 34 |
42 |
|
[NAP]E:405 |
9 |
1 |
924 |
f |
[SO4]E:511 |
x,y,z |
1_555 |
5 |
1 |
187 |
51.5 |
-7.2 |
0.623 |
0 |
0 |
0 |
0.044 |
| 35 |
43 |
|
[NAP]B:402 |
9 |
1 |
919 |
f |
[SO4]B:509 |
x,y,z |
1_555 |
4 |
1 |
188 |
51.2 |
-6.8 |
0.611 |
0 |
0 |
0 |
0.042 |
| 36 |
44 |
|
[NAP]D:404 |
9 |
1 |
931 |
f |
[SO4]D:510 |
x,y,z |
1_555 |
5 |
1 |
189 |
50.4 |
-7.0 |
0.621 |
0 |
0 |
0 |
0.043 |
| 37 |
45 |
|
[NAP]F:406 |
9 |
1 |
924 |
f |
[SO4]F:512 |
x,y,z |
1_555 |
4 |
1 |
188 |
47.6 |
-6.6 |
0.621 |
0 |
0 |
0 |
0.040 |
| 38 |
46 |
|
F |
8 |
3 |
16954 |
◊ |
C |
x,y-1,z |
1_545 |
3 |
1 |
17276 |
44.0 |
1.1 |
0.768 |
0 |
1 |
0 |
0.000 |
| 39 |
47 |
|
F |
5 |
2 |
16954 |
◊ |
C |
x,y,z |
1_555 |
6 |
2 |
17276 |
43.6 |
0.4 |
0.696 |
0 |
0 |
0 |
0.000 |
| 40 |
48 |
|
D |
4 |
3 |
17148 |
◊ |
[NAP]B:402 |
x,y-1,z-1 |
1_544 |
4 |
1 |
919 |
37.2 |
1.5 |
0.775 |
1 |
0 |
0 |
0.000 |
49 |
|
[NAP]A:401 |
4 |
1 |
926 |
◊ |
C |
x,y,z |
1_555 |
4 |
3 |
17276 |
36.1 |
1.0 |
0.752 |
2 |
0 |
0 |
0.000 |
| Average: |
36.7 |
1.2 |
0.764 |
2 |
0 |
0 |
0.000 |
| 41 |
50 |
|
C |
4 |
2 |
17276 |
◊ |
B |
x-1,y-1,z-1 |
1_444 |
5 |
3 |
16960 |
35.1 |
1.9 |
0.892 |
0 |
0 |
0 |
0.000 |
| 42 |
51 |
|
[NAP]B:402 |
2 |
1 |
919 |
f |
[SO4]B:503 |
x,y,z |
1_555 |
2 |
1 |
187 |
23.4 |
-4.0 |
0.355 |
0 |
0 |
0 |
0.025 |
| 43 |
52 |
|
E |
3 |
1 |
16788 |
◊ |
D |
x-1,y,z |
1_455 |
5 |
2 |
17148 |
21.3 |
-0.2 |
0.444 |
0 |
0 |
0 |
0.000 |
| 44 |
53 |
|
[NAP]A:401 |
3 |
1 |
926 |
f |
[SO4]A:501 |
x,y,z |
1_555 |
1 |
1 |
188 |
21.1 |
-3.4 |
0.445 |
0 |
0 |
0 |
0.021 |
| 45 |
54 |
|
[NAP]D:404 |
4 |
1 |
931 |
f |
[SO4]D:504 |
x,y,z |
1_555 |
2 |
1 |
187 |
19.0 |
-2.9 |
0.554 |
0 |
0 |
0 |
0.018 |
| 46 |
55 |
|
[SO4]B:509 |
3 |
1 |
188 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
16931 |
17.7 |
-1.9 |
0.759 |
0 |
0 |
0 |
0.012 |
| 47 |
56 |
|
E |
2 |
1 |
16788 |
◊ |
B |
x,y-1,z-1 |
1_544 |
2 |
1 |
16960 |
13.8 |
0.3 |
0.708 |
0 |
0 |
0 |
0.000 |
| 48 |
57 |
|
[NAP]F:406 |
4 |
1 |
924 |
f |
[SO4]F:506 |
x,y,z |
1_555 |
1 |
1 |
188 |
13.8 |
-1.9 |
0.596 |
0 |
0 |
0 |
0.012 |
| 49 |
58 |
|
[SO4]D:510 |
2 |
1 |
189 |
◊ |
C |
x,y,z |
1_555 |
4 |
1 |
17276 |
13.6 |
-1.5 |
0.798 |
0 |
0 |
0 |
0.009 |
| 50 |
59 |
|
[NAP]E:405 |
5 |
1 |
924 |
f |
[SO4]E:505 |
x,y,z |
1_555 |
3 |
1 |
187 |
12.2 |
-1.4 |
0.673 |
0 |
0 |
0 |
0.008 |
| 51 |
60 |
|
[SO4]F:512 |
1 |
1 |
188 |
◊ |
E |
x,y,z |
1_555 |
3 |
1 |
16788 |
10.0 |
-1.1 |
0.694 |
0 |
0 |
0 |
0.007 |
| 52 |
61 |
|
[SO4]C:508 |
2 |
1 |
188 |
◊ |
D |
x,y,z |
1_555 |
3 |
1 |
17148 |
9.9 |
-1.1 |
0.748 |
0 |
0 |
0 |
0.007 |
| 53 |
62 |
|
[SO4]E:511 |
1 |
1 |
187 |
◊ |
F |
x,y,z |
1_555 |
3 |
1 |
16954 |
9.9 |
-0.9 |
0.750 |
0 |
0 |
0 |
0.006 |
| 54 |
63 |
|
[NAP]D:404 |
2 |
1 |
931 |
◊ |
C |
x,y,z |
1_555 |
2 |
1 |
17276 |
8.3 |
0.2 |
0.625 |
0 |
0 |
0 |
0.000 |
64 |
|
[NAP]B:402 |
1 |
1 |
919 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
16931 |
8.0 |
0.2 |
0.694 |
0 |
0 |
0 |
0.000 |
65 |
|
[NAP]A:401 |
1 |
1 |
926 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
16960 |
5.3 |
0.1 |
0.669 |
0 |
0 |
0 |
0.000 |
66 |
|
[NAP]E:405 |
1 |
1 |
924 |
◊ |
F |
x,y,z |
1_555 |
1 |
1 |
16954 |
5.1 |
0.1 |
0.667 |
0 |
0 |
0 |
0.000 |
67 |
|
[NAP]C:403 |
1 |
1 |
910 |
◊ |
D |
x,y,z |
1_555 |
1 |
1 |
17148 |
5.0 |
0.1 |
0.665 |
0 |
0 |
0 |
0.000 |
68 |
|
[NAP]F:406 |
1 |
1 |
924 |
◊ |
E |
x,y,z |
1_555 |
1 |
1 |
16788 |
1.7 |
0.0 |
0.626 |
0 |
0 |
0 |
0.000 |
| Average: |
5.6 |
0.1 |
0.658 |
0 |
0 |
0 |
0.000 |
| 55 |
69 |
|
D |
1 |
1 |
17148 |
◊ |
F |
x,y,z-1 |
1_554 |
3 |
1 |
16954 |
6.9 |
0.1 |
0.673 |
0 |
0 |
0 |
0.000 |
| 56 |
70 |
|
[SO4]A:507 |
3 |
1 |
187 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
16960 |
6.8 |
-0.5 |
0.787 |
0 |
0 |
0 |
0.003 |
| 57 |
71 |
|
[NAP]C:403 |
3 |
1 |
910 |
f |
[SO4]C:502 |
x,y,z |
1_555 |
3 |
1 |
187 |
6.6 |
-0.8 |
0.610 |
0 |
0 |
0 |
0.005 |
| 58 |
72 |
|
C |
1 |
1 |
17276 |
◊ |
D |
x-1,y,z |
1_455 |
1 |
1 |
17148 |
0.2 |
0.0 |
0.665 |
0 |
0 |
0 |
0.000 |
|