## |
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 |
130 |
37 |
10268 |
◊ |
B |
x,y,z |
1_555 |
126 |
36 |
10203 |
1261.9 |
-14.6 |
0.154 |
14 |
0 |
0 |
0.486 |
2 |
|
P |
121 |
38 |
10349 |
◊ |
O |
x,y,z |
1_555 |
126 |
37 |
10236 |
1259.7 |
-16.2 |
0.087 |
13 |
0 |
0 |
0.486 |
3 |
|
L |
124 |
38 |
10331 |
◊ |
K |
x,y,z |
1_555 |
126 |
38 |
10155 |
1258.2 |
-16.0 |
0.112 |
12 |
0 |
0 |
0.486 |
4 |
|
J |
126 |
37 |
10212 |
◊ |
I |
x,y,z |
1_555 |
125 |
37 |
10290 |
1255.4 |
-15.4 |
0.123 |
15 |
0 |
0 |
0.486 |
5 |
|
N |
124 |
38 |
10274 |
◊ |
M |
x,y,z |
1_555 |
129 |
37 |
10191 |
1252.4 |
-15.8 |
0.112 |
11 |
0 |
0 |
0.486 |
6 |
|
H |
122 |
37 |
10244 |
◊ |
G |
x,y,z |
1_555 |
122 |
37 |
10214 |
1249.7 |
-15.8 |
0.102 |
14 |
0 |
0 |
0.486 |
7 |
|
F |
125 |
37 |
10229 |
◊ |
E |
x,y,z |
1_555 |
124 |
37 |
10217 |
1239.6 |
-16.0 |
0.102 |
11 |
0 |
0 |
0.486 |
8 |
|
C |
125 |
37 |
10238 |
◊ |
A |
x,y,z |
1_555 |
123 |
35 |
10235 |
1235.4 |
-15.7 |
0.106 |
10 |
0 |
0 |
0.486 |
Average: |
1251.5 |
-15.7 |
0.112 |
13 |
0 |
0 |
0.486 |
2 |
9 |
|
L |
83 |
19 |
10331 |
◊ |
J |
x,y,z |
1_555 |
85 |
20 |
10212 |
874.1 |
-6.9 |
0.370 |
15 |
4 |
0 |
0.398 |
10 |
|
H |
85 |
19 |
10244 |
◊ |
E |
x,y,z |
1_555 |
85 |
20 |
10217 |
872.2 |
-7.5 |
0.324 |
16 |
4 |
0 |
0.398 |
11 |
|
G |
87 |
19 |
10214 |
◊ |
F |
x,y,z |
1_555 |
84 |
19 |
10229 |
870.7 |
-7.7 |
0.323 |
15 |
4 |
0 |
0.398 |
12 |
|
K |
85 |
20 |
10155 |
◊ |
I |
x,y,z |
1_555 |
83 |
19 |
10290 |
867.9 |
-6.8 |
0.372 |
17 |
4 |
0 |
0.398 |
13 |
|
P |
86 |
19 |
10349 |
◊ |
M |
x,y,z |
1_555 |
84 |
20 |
10191 |
867.2 |
-7.1 |
0.340 |
16 |
4 |
0 |
0.398 |
14 |
|
D |
87 |
20 |
10268 |
◊ |
C |
x,y,z |
1_555 |
84 |
19 |
10238 |
867.0 |
-7.1 |
0.348 |
15 |
4 |
0 |
0.398 |
15 |
|
O |
85 |
19 |
10236 |
◊ |
N |
x,y,z |
1_555 |
85 |
19 |
10274 |
865.0 |
-7.1 |
0.334 |
15 |
4 |
0 |
0.398 |
16 |
|
B |
85 |
19 |
10203 |
◊ |
A |
x,y,z |
1_555 |
85 |
20 |
10235 |
864.2 |
-6.9 |
0.355 |
16 |
4 |
0 |
0.398 |
Average: |
868.6 |
-7.1 |
0.346 |
16 |
4 |
0 |
0.398 |
3 |
17 |
|
C |
45 |
16 |
10238 |
◊ |
B |
x,y,z |
1_555 |
47 |
16 |
10203 |
450.2 |
0.1 |
0.745 |
8 |
0 |
0 |
0.037 |
18 |
|
P |
48 |
17 |
10349 |
◊ |
N |
x,y,z |
1_555 |
47 |
16 |
10274 |
448.9 |
1.1 |
0.795 |
8 |
0 |
0 |
0.037 |
19 |
|
H |
47 |
16 |
10244 |
◊ |
F |
x,y,z |
1_555 |
45 |
16 |
10229 |
447.8 |
0.4 |
0.771 |
8 |
0 |
0 |
0.037 |
20 |
|
O |
46 |
15 |
10236 |
◊ |
M |
x,y,z |
1_555 |
46 |
15 |
10191 |
445.9 |
1.0 |
0.801 |
8 |
0 |
0 |
0.037 |
21 |
|
G |
45 |
15 |
10214 |
◊ |
E |
x,y,z |
1_555 |
44 |
15 |
10217 |
445.6 |
0.6 |
0.766 |
8 |
0 |
0 |
0.037 |
22 |
|
L |
45 |
16 |
10331 |
◊ |
I |
x,y,z |
1_555 |
44 |
15 |
10290 |
444.4 |
0.6 |
0.767 |
8 |
0 |
0 |
0.037 |
23 |
|
K |
45 |
16 |
10155 |
◊ |
J |
x,y,z |
1_555 |
46 |
15 |
10212 |
441.8 |
1.3 |
0.830 |
8 |
0 |
0 |
0.037 |
24 |
|
D |
44 |
15 |
10268 |
◊ |
A |
x,y,z |
1_555 |
48 |
16 |
10235 |
437.3 |
2.1 |
0.851 |
9 |
0 |
0 |
0.037 |
Average: |
445.2 |
0.9 |
0.791 |
8 |
0 |
0 |
0.037 |
4 |
25 |
|
E |
35 |
9 |
10217 |
◊ |
B |
x,y,z |
1_555 |
37 |
12 |
10203 |
319.5 |
0.6 |
0.762 |
3 |
4 |
0 |
0.000 |
26 |
|
C |
38 |
12 |
10238 |
◊ |
G |
x,y,z-1 |
1_554 |
36 |
9 |
10214 |
317.7 |
-0.6 |
0.645 |
1 |
4 |
0 |
0.000 |
27 |
|
L |
37 |
12 |
10331 |
◊ |
O |
x,y,z-1 |
1_554 |
34 |
8 |
10236 |
316.1 |
-0.2 |
0.684 |
2 |
4 |
0 |
0.000 |
28 |
|
M |
34 |
8 |
10191 |
◊ |
I |
x,y,z |
1_555 |
34 |
11 |
10290 |
299.6 |
-0.4 |
0.667 |
2 |
4 |
0 |
0.000 |
29 |
|
J |
34 |
8 |
10212 |
◊ |
N |
x,y,z-1 |
1_554 |
33 |
11 |
10274 |
291.5 |
-0.5 |
0.663 |
1 |
4 |
0 |
0.000 |
30 |
|
P |
32 |
11 |
10349 |
◊ |
K |
x,y,z |
1_555 |
37 |
8 |
10155 |
285.2 |
0.3 |
0.709 |
3 |
4 |
0 |
0.000 |
31 |
|
D |
34 |
8 |
10268 |
◊ |
F |
x,y,z-1 |
1_554 |
34 |
10 |
10229 |
276.7 |
-0.5 |
0.655 |
2 |
3 |
0 |
0.000 |
32 |
|
H |
33 |
11 |
10244 |
◊ |
A |
x,y,z |
1_555 |
35 |
8 |
10235 |
276.0 |
-0.2 |
0.668 |
1 |
4 |
0 |
0.000 |
Average: |
297.8 |
-0.2 |
0.682 |
2 |
4 |
0 |
0.000 |
5 |
33 |
|
L |
32 |
11 |
10331 |
◊ |
B |
x,y,z |
1_555 |
28 |
8 |
10203 |
291.0 |
-1.0 |
0.540 |
3 |
0 |
0 |
0.000 |
34 |
|
I |
24 |
7 |
10290 |
◊ |
C |
x-1,y,z |
1_455 |
23 |
9 |
10238 |
223.1 |
-1.9 |
0.370 |
3 |
0 |
0 |
0.000 |
Average: |
257.0 |
-1.4 |
0.455 |
3 |
0 |
0 |
0.000 |
6 |
35 |
|
L |
29 |
8 |
10331 |
◊ |
J |
x,y-1,z |
1_545 |
27 |
8 |
10212 |
260.5 |
-5.1 |
0.144 |
0 |
0 |
0 |
0.000 |
36 |
|
O |
27 |
7 |
10236 |
◊ |
N |
x,y-1,z |
1_545 |
27 |
7 |
10274 |
258.4 |
-5.4 |
0.108 |
0 |
0 |
0 |
0.000 |
37 |
|
I |
28 |
8 |
10290 |
◊ |
K |
x,y-1,z |
1_545 |
28 |
7 |
10155 |
258.3 |
-5.4 |
0.124 |
0 |
0 |
0 |
0.000 |
38 |
|
E |
29 |
8 |
10217 |
◊ |
H |
x,y-1,z |
1_545 |
25 |
7 |
10244 |
257.9 |
-4.8 |
0.154 |
0 |
0 |
0 |
0.000 |
39 |
|
G |
27 |
7 |
10214 |
◊ |
F |
x,y-1,z |
1_545 |
28 |
7 |
10229 |
257.4 |
-5.3 |
0.127 |
0 |
0 |
0 |
0.000 |
40 |
|
C |
28 |
7 |
10238 |
◊ |
D |
x,y-1,z |
1_545 |
28 |
7 |
10268 |
257.2 |
-5.1 |
0.143 |
0 |
0 |
0 |
0.000 |
41 |
|
B |
27 |
7 |
10203 |
◊ |
A |
x,y-1,z |
1_545 |
27 |
7 |
10235 |
251.9 |
-5.2 |
0.128 |
0 |
0 |
0 |
0.000 |
42 |
|
M |
26 |
7 |
10191 |
◊ |
P |
x,y-1,z |
1_545 |
26 |
7 |
10349 |
251.5 |
-5.3 |
0.108 |
0 |
0 |
0 |
0.000 |
Average: |
256.6 |
-5.2 |
0.130 |
0 |
0 |
0 |
0.000 |
7 |
43 |
|
O |
19 |
8 |
10236 |
◊ |
E |
x-1,y,z |
1_455 |
17 |
4 |
10217 |
158.6 |
-1.2 |
0.497 |
1 |
0 |
0 |
0.000 |
44 |
|
M |
19 |
8 |
10191 |
◊ |
G |
x,y,z |
1_555 |
16 |
4 |
10214 |
155.1 |
-0.9 |
0.539 |
2 |
0 |
0 |
0.000 |
Average: |
156.8 |
-1.1 |
0.518 |
2 |
0 |
0 |
0.000 |
8 |
45 |
|
P |
12 |
5 |
10349 |
◊ |
E |
x-1,y,z |
1_455 |
13 |
4 |
10217 |
109.7 |
-0.5 |
0.574 |
1 |
0 |
0 |
0.000 |
46 |
|
N |
13 |
5 |
10274 |
◊ |
G |
x,y,z |
1_555 |
14 |
4 |
10214 |
104.6 |
0.1 |
0.658 |
1 |
0 |
0 |
0.000 |
Average: |
107.1 |
-0.2 |
0.616 |
1 |
0 |
0 |
0.000 |
9 |
47 |
|
M |
10 |
3 |
10191 |
◊ |
H |
x,y,z |
1_555 |
13 |
3 |
10244 |
100.5 |
-2.0 |
0.270 |
0 |
0 |
0 |
0.000 |
48 |
|
O |
11 |
3 |
10236 |
◊ |
F |
x-1,y,z |
1_455 |
13 |
3 |
10229 |
99.0 |
-1.4 |
0.383 |
1 |
1 |
0 |
0.000 |
Average: |
99.8 |
-1.7 |
0.327 |
1 |
1 |
0 |
0.000 |
10 |
49 |
|
[SO4]N:302 |
5 |
1 |
186 |
f |
N |
x,y,z |
1_555 |
10 |
4 |
10274 |
81.9 |
-10.7 |
0.911 |
4 |
0 |
0 |
0.250 |
50 |
|
[SO4]F:302 |
5 |
1 |
185 |
f |
F |
x,y,z |
1_555 |
11 |
4 |
10229 |
76.3 |
-11.0 |
0.815 |
2 |
0 |
0 |
0.250 |
Average: |
79.1 |
-10.9 |
0.863 |
3 |
0 |
0 |
0.250 |
11 |
51 |
|
[SO4]F:303 |
5 |
1 |
184 |
f |
F |
x,y,z |
1_555 |
13 |
7 |
10229 |
80.8 |
-11.7 |
0.670 |
2 |
0 |
0 |
0.198 |
12 |
52 |
|
[SO4]B:302 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
12 |
6 |
10203 |
80.8 |
-11.5 |
0.720 |
2 |
0 |
0 |
0.318 |
13 |
53 |
|
[SO4]H:303 |
5 |
1 |
186 |
f |
H |
x,y,z |
1_555 |
13 |
7 |
10244 |
80.0 |
-11.5 |
0.721 |
2 |
0 |
0 |
0.196 |
14 |
54 |
|
[SO4]G:303 |
5 |
1 |
185 |
f |
G |
x,y,z |
1_555 |
12 |
6 |
10214 |
79.9 |
-11.5 |
0.697 |
2 |
0 |
0 |
0.196 |
15 |
55 |
|
[SO4]I:302 |
5 |
1 |
186 |
f |
I |
x,y,z |
1_555 |
10 |
4 |
10290 |
79.6 |
-11.1 |
0.868 |
4 |
0 |
0 |
0.250 |
16 |
56 |
|
[SO4]I:303 |
5 |
1 |
185 |
f |
I |
x,y,z |
1_555 |
10 |
4 |
10290 |
79.0 |
-11.4 |
0.654 |
1 |
0 |
0 |
0.230 |
17 |
57 |
|
[SO4]C:303 |
5 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
11 |
5 |
10238 |
78.2 |
-11.1 |
0.720 |
1 |
0 |
0 |
0.208 |
18 |
58 |
|
[SO4]E:303 |
5 |
1 |
185 |
f |
E |
x,y,z |
1_555 |
13 |
6 |
10217 |
78.0 |
-10.8 |
0.703 |
2 |
0 |
0 |
0.313 |
59 |
|
[SO4]M:303 |
5 |
1 |
186 |
f |
M |
x,y,z |
1_555 |
12 |
6 |
10191 |
73.6 |
-10.4 |
0.699 |
3 |
0 |
0 |
0.313 |
Average: |
75.8 |
-10.6 |
0.701 |
3 |
0 |
0 |
0.313 |
19 |
60 |
|
[SO4]L:302 |
5 |
1 |
185 |
f |
L |
x,y,z |
1_555 |
10 |
4 |
10331 |
77.8 |
-11.5 |
0.720 |
3 |
0 |
0 |
0.279 |
20 |
61 |
|
[SO4]J:303 |
5 |
1 |
185 |
f |
J |
x,y,z |
1_555 |
10 |
5 |
10212 |
77.6 |
-11.3 |
0.670 |
2 |
0 |
0 |
0.194 |
21 |
62 |
|
[SO4]O:303 |
5 |
1 |
185 |
f |
O |
x,y,z |
1_555 |
10 |
5 |
10236 |
77.6 |
-11.2 |
0.658 |
2 |
0 |
0 |
0.266 |
22 |
63 |
|
[SO4]K:302 |
5 |
1 |
185 |
f |
K |
x,y,z |
1_555 |
11 |
6 |
10155 |
77.2 |
-11.0 |
0.694 |
2 |
0 |
0 |
0.306 |
64 |
|
[SO4]A:302 |
5 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
11 |
5 |
10235 |
76.6 |
-11.0 |
0.666 |
2 |
0 |
0 |
0.306 |
Average: |
76.9 |
-11.0 |
0.680 |
2 |
0 |
0 |
0.306 |
23 |
65 |
|
[SO4]C:302 |
5 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
11 |
4 |
10238 |
76.9 |
-11.0 |
0.822 |
2 |
0 |
0 |
0.214 |
24 |
66 |
|
[SO4]D:302 |
5 |
1 |
184 |
f |
D |
x,y,z |
1_555 |
11 |
5 |
10268 |
76.2 |
-10.9 |
0.644 |
3 |
0 |
0 |
0.200 |
25 |
67 |
|
[SO4]E:302 |
5 |
1 |
186 |
f |
E |
x,y,z |
1_555 |
12 |
5 |
10217 |
76.1 |
-10.7 |
0.714 |
2 |
0 |
0 |
0.183 |
26 |
68 |
|
[SO4]O:302 |
5 |
1 |
186 |
f |
O |
x,y,z |
1_555 |
12 |
5 |
10236 |
75.9 |
-10.8 |
0.743 |
1 |
0 |
0 |
0.248 |
27 |
69 |
|
[SO4]G:302 |
5 |
1 |
186 |
f |
G |
x,y,z |
1_555 |
13 |
5 |
10214 |
75.5 |
-10.7 |
0.733 |
2 |
0 |
0 |
0.183 |
28 |
70 |
|
[SO4]H:302 |
5 |
1 |
183 |
f |
H |
x,y,z |
1_555 |
8 |
4 |
10244 |
74.9 |
-10.8 |
0.847 |
3 |
0 |
0 |
0.193 |
29 |
71 |
|
[SO4]M:302 |
5 |
1 |
186 |
f |
M |
x,y,z |
1_555 |
11 |
5 |
10191 |
74.1 |
-10.3 |
0.722 |
1 |
0 |
0 |
0.289 |
30 |
72 |
|
[SO4]D:303 |
5 |
1 |
186 |
f |
D |
x,y,z |
1_555 |
10 |
4 |
10268 |
70.8 |
-9.9 |
0.891 |
3 |
0 |
0 |
0.183 |
73 |
|
[SO4]J:302 |
5 |
1 |
186 |
f |
J |
x,y,z |
1_555 |
10 |
4 |
10212 |
69.0 |
-9.7 |
0.892 |
3 |
0 |
0 |
0.183 |
Average: |
69.9 |
-9.8 |
0.891 |
3 |
0 |
0 |
0.183 |
31 |
74 |
|
[SO4]L:303 |
4 |
1 |
184 |
f |
J |
x,y,z |
1_555 |
5 |
2 |
10212 |
56.8 |
-7.2 |
0.731 |
1 |
0 |
0 |
0.122 |
32 |
75 |
|
P |
5 |
2 |
10349 |
◊ |
I |
x,y,z |
1_555 |
8 |
4 |
10290 |
51.0 |
0.1 |
0.674 |
0 |
0 |
0 |
0.000 |
76 |
|
L |
8 |
4 |
10331 |
◊ |
N |
x,y,z-1 |
1_554 |
6 |
2 |
10274 |
49.8 |
0.1 |
0.657 |
0 |
0 |
0 |
0.000 |
77 |
|
C |
7 |
3 |
10238 |
◊ |
F |
x,y,z-1 |
1_554 |
7 |
3 |
10229 |
46.0 |
0.0 |
0.644 |
0 |
0 |
0 |
0.000 |
78 |
|
H |
7 |
3 |
10244 |
◊ |
B |
x,y,z |
1_555 |
8 |
3 |
10203 |
44.3 |
0.3 |
0.692 |
0 |
0 |
0 |
0.000 |
Average: |
47.8 |
0.1 |
0.667 |
0 |
0 |
0 |
0.000 |
33 |
79 |
|
[SO4]D:303 |
5 |
1 |
186 |
◊ |
B |
x,y,z |
1_555 |
7 |
2 |
10203 |
47.1 |
-6.1 |
0.847 |
2 |
0 |
0 |
0.110 |
80 |
|
[SO4]J:302 |
4 |
1 |
186 |
◊ |
I |
x,y,z |
1_555 |
7 |
2 |
10290 |
45.9 |
-5.8 |
0.850 |
1 |
0 |
0 |
0.110 |
Average: |
46.5 |
-6.0 |
0.848 |
2 |
0 |
0 |
0.110 |
34 |
81 |
|
[SO4]L:303 |
4 |
1 |
184 |
◊ |
L |
x,y,z |
1_555 |
6 |
1 |
10331 |
42.9 |
-4.9 |
0.830 |
0 |
0 |
0 |
0.078 |
35 |
82 |
|
L |
3 |
2 |
10331 |
◊ |
D |
x,y,z |
1_555 |
2 |
1 |
10268 |
11.6 |
0.2 |
0.610 |
0 |
0 |
0 |
0.000 |
83 |
|
I |
1 |
1 |
10290 |
◊ |
A |
x-1,y,z |
1_455 |
1 |
1 |
10235 |
4.9 |
0.1 |
0.541 |
0 |
0 |
0 |
0.000 |
Average: |
8.2 |
0.1 |
0.575 |
0 |
0 |
0 |
0.000 |
36 |
84 |
|
[SO4]F:302 |
1 |
1 |
185 |
◊ |
H |
x,y,z |
1_555 |
3 |
2 |
10244 |
8.9 |
-0.9 |
0.776 |
0 |
0 |
0 |
0.005 |
85 |
|
[SO4]N:302 |
1 |
1 |
186 |
◊ |
P |
x,y,z |
1_555 |
3 |
2 |
10349 |
6.1 |
-0.6 |
0.763 |
0 |
0 |
0 |
0.005 |
Average: |
7.5 |
-0.7 |
0.770 |
0 |
0 |
0 |
0.005 |
37 |
86 |
|
[SO4]H:302 |
1 |
1 |
183 |
◊ |
F |
x,y,z |
1_555 |
3 |
2 |
10229 |
8.8 |
-1.2 |
0.626 |
0 |
0 |
0 |
0.007 |
38 |
87 |
|
[SO4]I:302 |
1 |
1 |
186 |
◊ |
L |
x,y,z |
1_555 |
3 |
2 |
10331 |
7.0 |
-0.9 |
0.645 |
0 |
0 |
0 |
0.006 |
39 |
88 |
|
[SO4]C:302 |
1 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
2 |
2 |
10203 |
5.0 |
-0.5 |
0.753 |
0 |
0 |
0 |
0.003 |
40 |
89 |
|
[SO4]L:302 |
1 |
1 |
185 |
◊ |
I |
x,y,z |
1_555 |
3 |
2 |
10290 |
4.1 |
-0.5 |
0.757 |
0 |
0 |
0 |
0.003 |
|