## |
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 |
|
C |
119 |
35 |
8241 |
◊ |
B |
x,y,z |
1_555 |
104 |
27 |
8251 |
1061.9 |
-10.7 |
0.170 |
15 |
5 |
0 |
0.276 |
2 |
|
B |
124 |
35 |
8251 |
◊ |
A |
x,y,z |
1_555 |
100 |
26 |
8238 |
1060.2 |
-10.8 |
0.169 |
15 |
5 |
0 |
0.276 |
3 |
|
C |
103 |
26 |
8241 |
◊ |
A |
x,y,z |
1_555 |
121 |
35 |
8238 |
1058.5 |
-10.9 |
0.169 |
15 |
5 |
0 |
0.276 |
Average: |
1060.2 |
-10.8 |
0.170 |
15 |
5 |
0 |
0.276 |
2 |
4 |
|
B |
63 |
15 |
8251 |
◊ |
B |
-x+1,-y,z |
10_544 |
63 |
15 |
8251 |
536.7 |
-1.2 |
0.562 |
4 |
0 |
0 |
0.000 |
5 |
|
A |
64 |
15 |
8238 |
◊ |
A |
x,-y+1/2,-z+1/4 |
6_555 |
64 |
15 |
8238 |
533.6 |
-1.2 |
0.563 |
4 |
0 |
0 |
0.000 |
6 |
|
C |
63 |
15 |
8241 |
◊ |
C |
-x+1/2,y,-z+3/4 |
5_555 |
63 |
15 |
8241 |
532.0 |
-1.2 |
0.562 |
4 |
0 |
0 |
0.000 |
Average: |
534.1 |
-1.2 |
0.563 |
4 |
0 |
0 |
0.000 |
3 |
7 |
|
C |
46 |
12 |
8241 |
◊ |
C |
y,x,-z+1 |
15_445 |
45 |
12 |
8241 |
420.9 |
0.9 |
0.701 |
12 |
4 |
0 |
0.000 |
8 |
|
B |
45 |
12 |
8251 |
◊ |
A |
-y+1,x-1/2,z+1/4 |
3_645 |
43 |
12 |
8238 |
418.2 |
1.0 |
0.701 |
12 |
4 |
0 |
0.000 |
Average: |
419.6 |
1.0 |
0.701 |
12 |
4 |
0 |
0.000 |
4 |
9 |
|
C |
35 |
10 |
8241 |
◊ |
B |
-y+1/2,x,z-1/4 |
11_544 |
35 |
10 |
8251 |
319.7 |
-0.7 |
0.562 |
2 |
0 |
0 |
0.000 |
10 |
|
A |
34 |
10 |
8238 |
◊ |
A |
y+1/2,x-1/2,-z+1/2 |
7_545 |
33 |
10 |
8238 |
318.0 |
-0.8 |
0.556 |
2 |
0 |
0 |
0.000 |
Average: |
318.9 |
-0.8 |
0.559 |
2 |
0 |
0 |
0.000 |
5 |
11 |
|
A |
41 |
9 |
8238 |
◊ |
C |
-y+1,x-1/2,z+1/4 |
3_645 |
40 |
9 |
8241 |
316.9 |
3.9 |
0.884 |
8 |
8 |
0 |
0.013 |
12 |
|
B |
41 |
9 |
8251 |
◊ |
B |
y,x,-z+1 |
15_445 |
41 |
9 |
8251 |
316.3 |
3.8 |
0.882 |
8 |
8 |
0 |
0.013 |
Average: |
316.6 |
3.9 |
0.883 |
8 |
8 |
0 |
0.013 |
6 |
13 |
|
C |
22 |
6 |
8241 |
◊ |
A |
-y+1,-x+1,-z+1 |
8_666 |
21 |
6 |
8238 |
193.6 |
-3.4 |
0.213 |
0 |
0 |
0 |
0.000 |
14 |
|
B |
23 |
6 |
8251 |
◊ |
B |
-y+1,-x+1,-z+1 |
8_666 |
21 |
6 |
8251 |
193.2 |
-3.4 |
0.213 |
0 |
0 |
0 |
0.000 |
Average: |
193.4 |
-3.4 |
0.213 |
0 |
0 |
0 |
0.000 |
7 |
15 |
|
C |
20 |
5 |
8241 |
x |
B |
y,x,-z+1 |
15_445 |
25 |
7 |
8251 |
174.7 |
-1.2 |
0.459 |
1 |
1 |
0 |
0.000 |
16 |
|
B |
20 |
5 |
8251 |
x |
C |
-y+1,x-1/2,z+1/4 |
3_645 |
25 |
7 |
8241 |
174.0 |
-1.2 |
0.457 |
1 |
1 |
0 |
0.000 |
17 |
|
A |
25 |
7 |
8238 |
x |
A |
-y+1,x-1/2,z+1/4 |
3_645 |
20 |
5 |
8238 |
174.0 |
-1.3 |
0.456 |
1 |
1 |
0 |
0.000 |
Average: |
174.3 |
-1.2 |
0.457 |
1 |
1 |
0 |
0.000 |
8 |
18 |
|
[SO4]A:140 |
5 |
1 |
187 |
f |
B |
x,y,z |
1_555 |
15 |
6 |
8251 |
86.3 |
-10.7 |
0.754 |
4 |
0 |
0 |
0.343 |
9 |
19 |
|
[SO4]C:139 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
14 |
6 |
8238 |
86.2 |
-10.5 |
0.759 |
4 |
0 |
0 |
0.170 |
10 |
20 |
|
[SO4]B:138 |
5 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
15 |
6 |
8241 |
82.9 |
-10.4 |
0.763 |
4 |
0 |
0 |
0.168 |
11 |
21 |
|
A |
6 |
2 |
8238 |
◊ |
A |
-y+1,-x+1,-z+1 |
8_666 |
6 |
2 |
8238 |
70.3 |
1.9 |
0.881 |
2 |
0 |
0 |
0.000 |
22 |
|
C |
6 |
2 |
8241 |
◊ |
B |
-y+1,-x+1,-z+1 |
8_666 |
6 |
2 |
8251 |
69.9 |
1.9 |
0.882 |
2 |
0 |
0 |
0.000 |
Average: |
70.1 |
1.9 |
0.881 |
2 |
0 |
0 |
0.000 |
12 |
23 |
|
[NI]A:142 |
1 |
1 |
115 |
f |
A |
x,y,z |
1_555 |
8 |
6 |
8238 |
61.5 |
-10.9 |
0.000 |
0 |
0 |
0 |
0.302 |
24 |
|
[NI]C:141 |
1 |
1 |
115 |
f |
C |
x,y,z |
1_555 |
7 |
6 |
8241 |
61.1 |
-10.9 |
0.000 |
0 |
0 |
0 |
0.302 |
25 |
|
[NI]B:143 |
1 |
1 |
115 |
f |
B |
x,y,z |
1_555 |
6 |
5 |
8251 |
61.1 |
-10.9 |
0.000 |
0 |
0 |
0 |
0.302 |
Average: |
61.2 |
-10.9 |
0.000 |
0 |
0 |
0 |
0.302 |
13 |
26 |
|
[SO4]A:140 |
4 |
1 |
187 |
◊ |
A |
x,y,z |
1_555 |
7 |
2 |
8238 |
60.3 |
-8.2 |
0.801 |
4 |
0 |
0 |
0.050 |
14 |
27 |
|
[SO4]C:139 |
4 |
1 |
185 |
◊ |
C |
x,y,z |
1_555 |
8 |
2 |
8241 |
59.9 |
-8.2 |
0.799 |
4 |
0 |
0 |
0.050 |
15 |
28 |
|
[SO4]B:138 |
5 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
9 |
3 |
8251 |
58.6 |
-7.9 |
0.800 |
4 |
0 |
0 |
0.049 |
16 |
29 |
|
[SO4]A:135 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
4 |
3 |
8238 |
52.3 |
-5.9 |
0.931 |
3 |
0 |
0 |
0.101 |
17 |
30 |
|
[SO4]B:136 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
3 |
2 |
8251 |
48.9 |
-5.6 |
0.953 |
3 |
0 |
0 |
0.190 |
18 |
31 |
|
[SO4]C:137 |
5 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
3 |
2 |
8241 |
48.9 |
-5.5 |
0.952 |
3 |
0 |
0 |
0.094 |
19 |
32 |
|
A |
8 |
4 |
8238 |
◊ |
[SO4]C:137 |
-y+1,x-1/2,z+1/4 |
3_645 |
4 |
1 |
186 |
45.7 |
-4.7 |
0.913 |
2 |
0 |
0 |
0.077 |
20 |
33 |
|
[SO4]B:136 |
4 |
1 |
186 |
◊ |
B |
y,x,-z+1 |
15_445 |
6 |
4 |
8251 |
45.2 |
-4.7 |
0.926 |
2 |
0 |
0 |
0.153 |
21 |
34 |
|
[SO4]A:135 |
4 |
1 |
186 |
◊ |
C |
-y+1,x-1/2,z+1/4 |
3_645 |
5 |
3 |
8241 |
45.0 |
-4.6 |
0.937 |
2 |
0 |
0 |
0.076 |
22 |
35 |
|
B |
2 |
1 |
8251 |
◊ |
A |
x,-y+1/2,-z+1/4 |
6_555 |
3 |
1 |
8238 |
42.5 |
1.6 |
0.911 |
2 |
4 |
0 |
0.000 |
36 |
|
C |
2 |
1 |
8241 |
◊ |
B |
-x+1,-y,z |
10_544 |
3 |
1 |
8251 |
42.4 |
1.5 |
0.910 |
2 |
4 |
0 |
0.000 |
37 |
|
C |
3 |
1 |
8241 |
◊ |
A |
-x+1/2,y,-z+3/4 |
5_555 |
2 |
1 |
8238 |
42.2 |
1.5 |
0.910 |
2 |
4 |
0 |
0.000 |
Average: |
42.4 |
1.5 |
0.910 |
2 |
4 |
0 |
0.000 |
23 |
38 |
|
[SO4]A:135 |
4 |
1 |
186 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
8251 |
36.7 |
-3.6 |
0.930 |
1 |
0 |
0 |
0.021 |
24 |
39 |
|
[SO4]B:136 |
4 |
1 |
186 |
◊ |
C |
x,y,z |
1_555 |
2 |
1 |
8241 |
36.7 |
-3.7 |
0.920 |
1 |
0 |
0 |
0.021 |
25 |
40 |
|
[SO4]C:137 |
4 |
1 |
186 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
8238 |
35.8 |
-3.5 |
0.923 |
1 |
0 |
0 |
0.020 |
26 |
41 |
|
B |
1 |
1 |
8251 |
◊ |
[SO4]C:137 |
-y+1,x-1/2,z+1/4 |
3_645 |
3 |
1 |
186 |
26.7 |
-3.4 |
0.233 |
0 |
0 |
0 |
0.000 |
27 |
42 |
|
[SO4]A:135 |
3 |
1 |
186 |
◊ |
A |
-y+1,x-1/2,z+1/4 |
3_645 |
1 |
1 |
8238 |
25.5 |
-3.3 |
0.262 |
0 |
0 |
0 |
0.000 |
28 |
43 |
|
[SO4]B:136 |
3 |
1 |
186 |
◊ |
C |
y,x,-z+1 |
15_445 |
1 |
1 |
8241 |
25.2 |
-3.2 |
0.256 |
0 |
0 |
0 |
0.000 |
29 |
44 |
|
[SO4]C:139 |
4 |
1 |
185 |
◊ |
[SO4]C:137 |
x,y,z |
1_555 |
3 |
1 |
186 |
17.1 |
-3.8 |
0.995 |
0 |
0 |
0 |
0.019 |
30 |
45 |
|
[SO4]B:138 |
4 |
1 |
185 |
◊ |
[SO4]B:136 |
x,y,z |
1_555 |
3 |
1 |
186 |
16.7 |
-3.7 |
0.995 |
0 |
0 |
0 |
0.019 |
31 |
46 |
|
[SO4]A:140 |
4 |
1 |
187 |
◊ |
[SO4]A:135 |
x,y,z |
1_555 |
3 |
1 |
186 |
15.8 |
-3.5 |
0.995 |
0 |
0 |
0 |
0.018 |
32 |
47 |
|
[SO4]A:140 |
1 |
1 |
187 |
◊ |
[SO4]C:137 |
-y+1,x-1/2,z+1/4 |
3_645 |
1 |
1 |
186 |
5.9 |
-1.4 |
0.800 |
0 |
0 |
0 |
0.000 |
33 |
48 |
|
[SO4]B:138 |
1 |
1 |
185 |
◊ |
[SO4]B:136 |
y,x,-z+1 |
15_445 |
1 |
1 |
186 |
5.7 |
-1.4 |
0.800 |
0 |
0 |
0 |
0.000 |
34 |
49 |
|
[SO4]A:135 |
1 |
1 |
186 |
◊ |
[SO4]C:139 |
-y+1,x-1/2,z+1/4 |
3_645 |
1 |
1 |
185 |
3.5 |
-0.8 |
1.000 |
0 |
0 |
0 |
0.000 |
35 |
50 |
|
[SO4]B:138 |
1 |
1 |
185 |
◊ |
B |
y,x,-z+1 |
15_445 |
1 |
1 |
8251 |
2.2 |
-0.2 |
0.894 |
0 |
0 |
0 |
0.000 |
36 |
51 |
|
[SO4]A:140 |
1 |
1 |
187 |
◊ |
C |
-y+1,x-1/2,z+1/4 |
3_645 |
1 |
1 |
8241 |
0.2 |
-0.0 |
0.836 |
0 |
0 |
0 |
0.000 |
|