| ## |
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 |
|
F |
140 |
36 |
11024 |
◊ |
D |
x,y,z |
1_555 |
146 |
36 |
11081 |
1345.5 |
-10.6 |
0.351 |
19 |
4 |
0 |
0.326 |
2 |
|
C |
136 |
36 |
10963 |
◊ |
A |
x,y,z |
1_555 |
133 |
33 |
10724 |
1238.0 |
-12.0 |
0.278 |
15 |
3 |
0 |
0.326 |
3 |
|
E |
123 |
34 |
10850 |
◊ |
B |
x,y,z |
1_555 |
119 |
31 |
10504 |
1194.2 |
-10.7 |
0.293 |
11 |
1 |
0 |
0.326 |
4 |
|
G |
127 |
33 |
10503 |
◊ |
G |
-x+1,-y+1,z |
4_665 |
127 |
33 |
10503 |
1192.2 |
-12.2 |
0.318 |
16 |
2 |
0 |
0.326 |
| Average: |
1242.5 |
-11.4 |
0.310 |
15 |
3 |
0 |
0.326 |
| 2 |
5 |
|
D |
92 |
29 |
11081 |
◊ |
A |
x,y,z-1 |
1_554 |
95 |
30 |
10724 |
886.3 |
-6.3 |
0.449 |
5 |
3 |
0 |
0.017 |
6 |
|
C |
85 |
28 |
10963 |
◊ |
B |
x,y,z |
1_555 |
94 |
30 |
10504 |
844.3 |
-7.1 |
0.358 |
8 |
2 |
0 |
0.017 |
| Average: |
865.3 |
-6.7 |
0.404 |
7 |
3 |
0 |
0.017 |
| 3 |
7 |
|
F |
94 |
28 |
11024 |
◊ |
E |
x,y,z |
1_555 |
87 |
27 |
10850 |
840.4 |
-6.2 |
0.419 |
6 |
4 |
0 |
0.000 |
| 4 |
8 |
|
B |
63 |
16 |
10504 |
◊ |
A |
x-y,x,z-1/3 |
6_554 |
62 |
17 |
10724 |
570.6 |
-3.2 |
0.566 |
4 |
0 |
0 |
0.000 |
| 5 |
9 |
|
G |
37 |
13 |
10503 |
◊ |
D |
x,y,z |
1_555 |
45 |
15 |
11081 |
367.0 |
-0.8 |
0.670 |
4 |
1 |
0 |
0.000 |
| 6 |
10 |
|
G |
37 |
13 |
10503 |
◊ |
E |
-y+1,x-y+1,z-2/3 |
2_664 |
41 |
13 |
10850 |
311.7 |
-1.5 |
0.585 |
5 |
0 |
0 |
0.000 |
| 7 |
11 |
|
D |
44 |
15 |
11081 |
◊ |
F |
-y+1,x-y+1,z+1/3 |
2_665 |
24 |
7 |
11024 |
301.0 |
-1.8 |
0.513 |
4 |
1 |
0 |
0.000 |
| 8 |
12 |
|
F |
25 |
7 |
11024 |
x |
F |
-y+1,x-y+1,z+1/3 |
2_665 |
25 |
8 |
11024 |
238.9 |
-1.6 |
0.469 |
3 |
0 |
0 |
0.000 |
| 9 |
13 |
|
G |
24 |
7 |
10503 |
◊ |
F |
-y+1,x-y+1,z+1/3 |
2_665 |
27 |
10 |
11024 |
229.4 |
-2.6 |
0.354 |
1 |
0 |
0 |
0.000 |
| 10 |
14 |
|
[ABU]A:301 |
7 |
1 |
258 |
f |
A |
x,y,z |
1_555 |
24 |
13 |
10724 |
159.4 |
-1.0 |
0.555 |
8 |
0 |
0 |
0.060 |
15 |
|
[ABU]B:301 |
7 |
1 |
258 |
f |
B |
x,y,z |
1_555 |
24 |
13 |
10504 |
157.4 |
-1.1 |
0.556 |
8 |
0 |
0 |
0.060 |
| Average: |
158.4 |
-1.1 |
0.555 |
8 |
0 |
0 |
0.060 |
| 11 |
16 |
|
D |
17 |
7 |
11081 |
◊ |
A |
x,y,z |
1_555 |
12 |
3 |
10724 |
141.2 |
-1.0 |
0.467 |
1 |
0 |
0 |
0.000 |
| 12 |
17 |
|
[GOL]F:303 |
6 |
1 |
218 |
f |
F |
x,y,z |
1_555 |
29 |
11 |
11024 |
130.1 |
-0.4 |
0.563 |
3 |
0 |
0 |
0.029 |
| 13 |
18 |
|
E |
16 |
7 |
10850 |
◊ |
D |
x,y,z |
1_555 |
17 |
5 |
11081 |
120.1 |
-1.6 |
0.359 |
0 |
0 |
0 |
0.000 |
19 |
|
E |
14 |
5 |
10850 |
◊ |
C |
x,y,z |
1_555 |
14 |
7 |
10963 |
119.3 |
-1.2 |
0.398 |
0 |
0 |
0 |
0.000 |
| Average: |
119.7 |
-1.4 |
0.378 |
0 |
0 |
0 |
0.000 |
| 14 |
20 |
|
[ACT]F:301 |
4 |
1 |
183 |
f |
F |
x,y,z |
1_555 |
21 |
11 |
11024 |
115.9 |
-0.5 |
0.660 |
2 |
0 |
0 |
0.024 |
| 15 |
21 |
|
[GOL]A:305 |
5 |
1 |
218 |
f |
A |
x,y,z |
1_555 |
18 |
8 |
10724 |
111.7 |
0.2 |
0.680 |
3 |
0 |
0 |
0.013 |
| 16 |
22 |
|
[ABU]D:301 |
7 |
1 |
256 |
f |
D |
x,y,z |
1_555 |
14 |
5 |
11081 |
108.9 |
-0.8 |
0.458 |
1 |
0 |
0 |
0.021 |
| 17 |
23 |
|
[ABU]B:304 |
7 |
1 |
251 |
f |
C |
x,y,z |
1_555 |
16 |
6 |
10963 |
103.2 |
-0.5 |
0.548 |
1 |
0 |
0 |
0.010 |
| 18 |
24 |
|
[ABU]E:301 |
7 |
1 |
258 |
f |
E |
x,y,z |
1_555 |
16 |
4 |
10850 |
101.4 |
-0.4 |
0.580 |
3 |
0 |
0 |
0.022 |
| 19 |
25 |
|
D |
14 |
5 |
11081 |
x |
D |
x,y,z-1 |
1_554 |
9 |
2 |
11081 |
99.0 |
0.9 |
0.804 |
0 |
0 |
0 |
0.000 |
26 |
|
E |
11 |
4 |
10850 |
x |
E |
x,y,z-1 |
1_554 |
10 |
2 |
10850 |
97.7 |
0.6 |
0.753 |
0 |
0 |
0 |
0.000 |
27 |
|
C |
10 |
4 |
10963 |
x |
C |
x,y,z-1 |
1_554 |
10 |
2 |
10963 |
94.7 |
0.8 |
0.764 |
2 |
0 |
0 |
0.000 |
| Average: |
97.1 |
0.8 |
0.773 |
1 |
0 |
0 |
0.000 |
| 20 |
28 |
|
B |
14 |
5 |
10504 |
◊ |
C |
x-y,x,z-1/3 |
6_554 |
17 |
8 |
10963 |
95.5 |
-0.9 |
0.480 |
0 |
0 |
0 |
0.000 |
29 |
|
E |
12 |
5 |
10850 |
◊ |
A |
x-y,x,z-1/3 |
6_554 |
9 |
4 |
10724 |
66.2 |
-1.0 |
0.437 |
0 |
0 |
0 |
0.000 |
| Average: |
80.8 |
-0.9 |
0.458 |
0 |
0 |
0 |
0.000 |
| 21 |
30 |
|
[SO4]C:303 |
5 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
14 |
6 |
10963 |
93.5 |
-13.1 |
0.893 |
2 |
0 |
0 |
0.151 |
| 22 |
31 |
|
[ABU]B:304 |
7 |
1 |
251 |
◊ |
B |
x,y,z |
1_555 |
12 |
4 |
10504 |
91.8 |
0.2 |
0.659 |
1 |
0 |
0 |
0.000 |
| 23 |
32 |
|
[ABU]D:301 |
5 |
1 |
256 |
◊ |
A |
x,y,z-1 |
1_554 |
12 |
4 |
10724 |
89.8 |
-0.4 |
0.571 |
0 |
0 |
0 |
0.000 |
| 24 |
33 |
|
[SO4]G:302 |
5 |
1 |
184 |
f |
G |
x,y,z |
1_555 |
12 |
7 |
10503 |
86.7 |
-11.7 |
0.832 |
2 |
0 |
0 |
0.325 |
| 25 |
34 |
|
[ABU]E:301 |
6 |
1 |
258 |
◊ |
F |
x,y,z |
1_555 |
10 |
5 |
11024 |
86.5 |
0.2 |
0.636 |
1 |
0 |
0 |
0.000 |
| 26 |
35 |
|
[SO4]E:304 |
5 |
1 |
185 |
f |
E |
x,y,z |
1_555 |
14 |
7 |
10850 |
85.1 |
-11.0 |
0.838 |
2 |
0 |
0 |
0.152 |
| 27 |
36 |
|
F |
9 |
2 |
11024 |
◊ |
E |
x,y,z-1 |
1_554 |
13 |
6 |
10850 |
84.7 |
0.1 |
0.656 |
0 |
0 |
0 |
0.000 |
| 28 |
37 |
|
[GOL]A:305 |
5 |
1 |
218 |
◊ |
C |
x,y,z |
1_555 |
10 |
5 |
10963 |
82.1 |
0.1 |
0.625 |
1 |
0 |
0 |
0.004 |
| 29 |
38 |
|
[SO4]E:303 |
5 |
1 |
184 |
f |
E |
x,y,z |
1_555 |
12 |
5 |
10850 |
82.0 |
-10.8 |
0.900 |
5 |
0 |
0 |
0.167 |
| 30 |
39 |
|
D |
11 |
5 |
11081 |
◊ |
C |
x,y,z-1 |
1_554 |
10 |
5 |
10963 |
79.6 |
-1.1 |
0.328 |
0 |
0 |
0 |
0.000 |
| 31 |
40 |
|
[SO4]B:303 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
12 |
4 |
10504 |
79.0 |
-10.3 |
0.888 |
2 |
0 |
0 |
0.144 |
| 32 |
41 |
|
[SO4]A:302 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
11 |
3 |
10724 |
78.4 |
-10.4 |
0.874 |
3 |
0 |
0 |
0.127 |
| 33 |
42 |
|
[SO4]F:302 |
4 |
1 |
184 |
f |
F |
x,y,z |
1_555 |
10 |
6 |
11024 |
78.0 |
-10.8 |
0.810 |
5 |
0 |
0 |
0.216 |
| 34 |
43 |
|
[SO4]D:302 |
4 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
9 |
5 |
11081 |
76.5 |
-10.2 |
0.890 |
6 |
0 |
0 |
0.214 |
| 35 |
44 |
|
[SO4]C:302 |
5 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
9 |
5 |
10963 |
76.4 |
-10.2 |
0.914 |
5 |
0 |
0 |
0.134 |
| 36 |
45 |
|
[SO4]G:301 |
4 |
1 |
186 |
f |
G |
x,y,z |
1_555 |
9 |
5 |
10503 |
75.8 |
-10.1 |
0.906 |
4 |
0 |
0 |
0.308 |
| 37 |
46 |
|
G |
10 |
2 |
10503 |
◊ |
A |
-x+1,-y+1,z |
4_665 |
6 |
2 |
10724 |
74.7 |
-0.5 |
0.389 |
0 |
0 |
0 |
0.000 |
| 38 |
47 |
|
G |
7 |
3 |
10503 |
◊ |
E |
-y+1,x-y+1,z+1/3 |
2_665 |
8 |
3 |
10850 |
74.4 |
-0.6 |
0.479 |
1 |
0 |
0 |
0.000 |
| 39 |
48 |
|
[SO4]A:303 |
4 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
9 |
6 |
10724 |
72.1 |
-9.4 |
0.906 |
4 |
0 |
0 |
0.121 |
| 40 |
49 |
|
[SO4]B:302 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
9 |
6 |
10504 |
69.4 |
-8.9 |
0.913 |
4 |
0 |
0 |
0.137 |
| 41 |
50 |
|
G |
6 |
2 |
10503 |
◊ |
A |
-x+1,-y+1,z-1 |
4_664 |
6 |
2 |
10724 |
65.9 |
-0.0 |
0.468 |
1 |
0 |
0 |
0.000 |
| 42 |
51 |
|
[GOL]G:303 |
6 |
1 |
218 |
f |
G |
x,y,z |
1_555 |
9 |
5 |
10503 |
61.9 |
0.0 |
0.606 |
1 |
0 |
0 |
0.011 |
| 43 |
52 |
|
[ACT]B:306 |
4 |
1 |
183 |
f |
A |
x-y,x,z-1/3 |
6_554 |
7 |
3 |
10724 |
60.0 |
0.0 |
0.777 |
2 |
0 |
0 |
0.009 |
| 44 |
53 |
|
[ACT]B:307 |
4 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
6 |
3 |
10504 |
59.2 |
0.3 |
0.788 |
0 |
0 |
0 |
0.000 |
| 45 |
54 |
|
[SO4]A:304 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
7 |
3 |
10724 |
59.1 |
-6.9 |
0.935 |
2 |
0 |
0 |
0.084 |
| 46 |
55 |
|
[ACT]E:302 |
4 |
1 |
183 |
f |
E |
x,y,z |
1_555 |
13 |
6 |
10850 |
55.9 |
-0.1 |
0.722 |
1 |
0 |
0 |
0.008 |
| 47 |
56 |
|
D |
9 |
4 |
11081 |
◊ |
F |
x,y,z-1 |
1_554 |
6 |
3 |
11024 |
51.7 |
-0.1 |
0.581 |
0 |
0 |
0 |
0.000 |
57 |
|
C |
1 |
1 |
10963 |
◊ |
A |
x,y,z-1 |
1_554 |
3 |
1 |
10724 |
19.0 |
-0.1 |
0.305 |
0 |
0 |
0 |
0.000 |
| Average: |
35.3 |
-0.1 |
0.443 |
0 |
0 |
0 |
0.000 |
| 48 |
58 |
|
[ACT]B:305 |
4 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
7 |
3 |
10504 |
49.1 |
-0.4 |
0.545 |
1 |
0 |
0 |
0.010 |
| 49 |
59 |
|
[ACT]C:301 |
3 |
1 |
182 |
◊ |
C |
x,y,z |
1_555 |
7 |
3 |
10963 |
46.8 |
1.2 |
0.880 |
2 |
0 |
0 |
0.000 |
| 50 |
60 |
|
[SO4]A:303 |
4 |
1 |
186 |
◊ |
C |
x,y,z |
1_555 |
7 |
3 |
10963 |
45.8 |
-5.4 |
0.801 |
0 |
0 |
0 |
0.058 |
| 51 |
61 |
|
[SO4]B:302 |
4 |
1 |
184 |
◊ |
E |
x,y,z |
1_555 |
7 |
3 |
10850 |
45.2 |
-5.3 |
0.802 |
0 |
0 |
0 |
0.068 |
| 52 |
62 |
|
G |
3 |
1 |
10503 |
x |
G |
x,y,z-1 |
1_554 |
6 |
2 |
10503 |
39.9 |
0.3 |
0.692 |
0 |
0 |
0 |
0.000 |
| 53 |
63 |
|
E |
5 |
2 |
10850 |
◊ |
C |
x,y,z-1 |
1_554 |
5 |
2 |
10963 |
38.4 |
0.4 |
0.731 |
2 |
0 |
0 |
0.000 |
| 54 |
64 |
|
D |
4 |
1 |
11081 |
◊ |
C |
x,y,z |
1_555 |
6 |
2 |
10963 |
38.3 |
0.1 |
0.657 |
1 |
0 |
0 |
0.000 |
65 |
|
D |
4 |
2 |
11081 |
◊ |
E |
x,y,z-1 |
1_554 |
1 |
1 |
10850 |
13.3 |
0.1 |
0.695 |
0 |
0 |
0 |
0.000 |
| Average: |
25.8 |
0.1 |
0.676 |
1 |
0 |
0 |
0.000 |
| 55 |
66 |
|
G |
11 |
5 |
10503 |
◊ |
A |
x,y,z-1 |
1_554 |
6 |
4 |
10724 |
37.0 |
0.3 |
0.727 |
0 |
0 |
0 |
0.000 |
| 56 |
67 |
|
[ACT]E:302 |
4 |
1 |
183 |
◊ |
A |
x-y,x,z-1/3 |
6_554 |
8 |
3 |
10724 |
36.8 |
-0.3 |
0.649 |
0 |
0 |
0 |
0.000 |
| 57 |
68 |
|
[ACT]B:306 |
3 |
1 |
183 |
◊ |
B |
x,y,z |
1_555 |
3 |
2 |
10504 |
36.8 |
0.3 |
0.753 |
0 |
0 |
0 |
0.000 |
| 58 |
69 |
|
[SO4]G:301 |
4 |
1 |
186 |
◊ |
G |
-x+1,-y+1,z |
4_665 |
6 |
2 |
10503 |
34.9 |
-4.0 |
0.820 |
0 |
0 |
0 |
0.104 |
| 59 |
70 |
|
[GOL]F:303 |
4 |
1 |
218 |
f |
[SO4]F:302 |
x,y,z |
1_555 |
2 |
1 |
184 |
29.1 |
-3.9 |
0.735 |
1 |
0 |
0 |
0.071 |
| 60 |
71 |
|
[SO4]F:302 |
4 |
1 |
184 |
◊ |
D |
x,y,z |
1_555 |
4 |
2 |
11081 |
28.5 |
-3.1 |
0.775 |
0 |
0 |
0 |
0.052 |
| 61 |
72 |
|
[SO4]C:302 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
4 |
2 |
10724 |
26.3 |
-3.0 |
0.765 |
0 |
0 |
0 |
0.032 |
| 62 |
73 |
|
[SO4]D:302 |
3 |
1 |
185 |
◊ |
F |
x,y,z |
1_555 |
4 |
2 |
11024 |
23.6 |
-2.8 |
0.731 |
0 |
0 |
0 |
0.047 |
| 63 |
74 |
|
[SO4]E:303 |
3 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
4 |
2 |
10504 |
23.3 |
-2.7 |
0.721 |
0 |
0 |
0 |
0.035 |
| 64 |
75 |
|
D |
7 |
5 |
11081 |
◊ |
F |
-y+1,x-y+1,z-2/3 |
2_664 |
6 |
3 |
11024 |
22.4 |
-0.3 |
0.546 |
0 |
0 |
0 |
0.000 |
| 65 |
76 |
|
[SO4]B:302 |
4 |
1 |
184 |
◊ |
A |
x-y,x,z-1/3 |
6_554 |
3 |
1 |
10724 |
21.3 |
-1.9 |
0.916 |
0 |
0 |
0 |
0.000 |
| 66 |
77 |
|
[ACT]B:305 |
3 |
1 |
183 |
◊ |
C |
x-y,x,z-1/3 |
6_554 |
4 |
2 |
10963 |
18.9 |
-0.0 |
0.594 |
0 |
0 |
0 |
0.000 |
| 67 |
78 |
|
G |
2 |
2 |
10503 |
◊ |
[ACT]E:302 |
-y+1,x-y+1,z-2/3 |
2_664 |
1 |
1 |
183 |
9.6 |
0.3 |
0.629 |
0 |
0 |
0 |
0.000 |
| 68 |
79 |
|
E |
3 |
2 |
10850 |
◊ |
B |
x,y,z-1 |
1_554 |
2 |
1 |
10504 |
7.6 |
0.2 |
0.723 |
0 |
0 |
0 |
0.000 |
| 69 |
80 |
|
G |
1 |
1 |
10503 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
10724 |
4.3 |
-0.0 |
0.522 |
0 |
0 |
0 |
0.000 |
| 70 |
81 |
|
B |
1 |
1 |
10504 |
◊ |
[SO4]A:303 |
x-y,x,z-1/3 |
6_554 |
1 |
1 |
186 |
3.2 |
-0.3 |
0.912 |
0 |
0 |
0 |
0.000 |
| 71 |
82 |
|
B |
1 |
1 |
10504 |
f |
[ACT]C:301 |
x,y,z-1 |
1_554 |
1 |
1 |
182 |
1.0 |
-0.0 |
0.497 |
0 |
0 |
0 |
0.000 |
|