## |
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 |
166 |
48 |
7220 |
◊ |
A |
x,y,z |
1_555 |
166 |
48 |
7063 |
1550.8 |
-17.4 |
0.342 |
23 |
2 |
0 |
0.826 |
2 |
|
C |
166 |
48 |
7165 |
◊ |
B |
x,y,z |
1_555 |
167 |
49 |
7110 |
1549.3 |
-16.6 |
0.459 |
24 |
2 |
0 |
0.826 |
Average: |
1550.1 |
-17.0 |
0.401 |
24 |
2 |
0 |
0.826 |
2 |
3 |
|
C |
42 |
13 |
7165 |
◊ |
A |
x,y,z |
1_555 |
42 |
13 |
7063 |
440.9 |
-10.0 |
0.043 |
2 |
0 |
0 |
0.214 |
4 |
|
D |
33 |
10 |
7220 |
◊ |
B |
x,y,z |
1_555 |
33 |
10 |
7110 |
369.5 |
-8.2 |
0.064 |
2 |
0 |
0 |
0.214 |
Average: |
405.2 |
-9.1 |
0.053 |
2 |
0 |
0 |
0.214 |
3 |
5 |
|
D |
44 |
14 |
7220 |
◊ |
B |
x-1,y,z |
1_455 |
41 |
14 |
7110 |
405.5 |
-3.2 |
0.574 |
2 |
0 |
0 |
0.000 |
4 |
6 |
|
[6FX]D:202 |
20 |
1 |
461 |
f |
D |
x,y,z |
1_555 |
46 |
16 |
7220 |
264.1 |
0.2 |
0.352 |
4 |
0 |
0 |
0.067 |
5 |
7 |
|
[6FX]C:202 |
20 |
1 |
456 |
f |
C |
x,y,z |
1_555 |
40 |
14 |
7165 |
247.9 |
-0.2 |
0.332 |
5 |
0 |
0 |
0.100 |
6 |
8 |
|
B |
19 |
6 |
7110 |
◊ |
A |
x,y,z |
1_555 |
19 |
6 |
7063 |
174.0 |
-0.2 |
0.727 |
2 |
0 |
0 |
0.022 |
9 |
|
D |
19 |
6 |
7220 |
◊ |
C |
x,y,z |
1_555 |
19 |
6 |
7165 |
173.5 |
-0.1 |
0.754 |
2 |
0 |
0 |
0.022 |
Average: |
173.7 |
-0.1 |
0.740 |
2 |
0 |
0 |
0.022 |
7 |
10 |
|
A |
18 |
4 |
7063 |
◊ |
D |
x,y,z-1 |
1_554 |
15 |
4 |
7220 |
168.5 |
1.2 |
0.819 |
5 |
3 |
0 |
0.000 |
8 |
11 |
|
B |
18 |
4 |
7110 |
◊ |
A |
-x+1,y-1/2,-z |
2_645 |
17 |
6 |
7063 |
167.1 |
-2.9 |
0.295 |
1 |
0 |
0 |
0.000 |
9 |
12 |
|
C |
13 |
4 |
7165 |
◊ |
D |
-x,y-1/2,-z+1 |
2_546 |
14 |
5 |
7220 |
150.7 |
-1.4 |
0.339 |
0 |
0 |
0 |
0.000 |
10 |
13 |
|
C |
15 |
5 |
7165 |
◊ |
A |
-x+1,y-1/2,-z+1 |
2_646 |
12 |
5 |
7063 |
138.7 |
-2.1 |
0.299 |
0 |
0 |
0 |
0.000 |
11 |
14 |
|
B |
14 |
4 |
7110 |
x |
B |
x,y,z-1 |
1_554 |
19 |
7 |
7110 |
119.9 |
-0.3 |
0.697 |
2 |
1 |
0 |
0.000 |
12 |
15 |
|
C |
10 |
4 |
7165 |
◊ |
D |
-x,y-1/2,-z |
2_545 |
13 |
5 |
7220 |
118.4 |
-1.2 |
0.486 |
2 |
0 |
0 |
0.000 |
13 |
16 |
|
[SO3]A:201 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
25 |
10 |
7063 |
108.0 |
-1.1 |
0.616 |
2 |
0 |
0 |
0.059 |
14 |
17 |
|
[SO3]A:202 |
4 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
22 |
9 |
7063 |
105.2 |
-1.3 |
0.570 |
1 |
0 |
0 |
0.052 |
15 |
18 |
|
[SO3]B:202 |
4 |
1 |
187 |
f |
B |
x,y,z |
1_555 |
20 |
7 |
7110 |
99.0 |
-1.2 |
0.624 |
1 |
0 |
0 |
0.051 |
16 |
19 |
|
C |
7 |
3 |
7165 |
◊ |
A |
-x+1,y-1/2,-z |
2_645 |
8 |
4 |
7063 |
76.0 |
-0.5 |
0.528 |
0 |
0 |
0 |
0.000 |
17 |
20 |
|
C |
10 |
5 |
7165 |
◊ |
B |
-x+1,y-1/2,-z |
2_645 |
7 |
3 |
7110 |
74.4 |
0.9 |
0.806 |
2 |
1 |
0 |
0.000 |
18 |
21 |
|
[SO3]B:201 |
4 |
1 |
187 |
f |
B |
x,y,z |
1_555 |
10 |
4 |
7110 |
72.1 |
-0.4 |
0.721 |
1 |
0 |
0 |
0.026 |
19 |
22 |
|
[SO3]D:201 |
4 |
1 |
187 |
f |
D |
x,y,z |
1_555 |
11 |
5 |
7220 |
70.5 |
-0.3 |
0.732 |
1 |
0 |
0 |
0.033 |
20 |
23 |
|
[SO3]A:203 |
4 |
1 |
187 |
◊ |
A |
x,y,z |
1_555 |
12 |
6 |
7063 |
69.6 |
-0.2 |
0.723 |
1 |
0 |
0 |
0.014 |
24 |
|
[SO3]C:201 |
4 |
1 |
188 |
◊ |
C |
x,y,z |
1_555 |
12 |
6 |
7165 |
68.5 |
-0.3 |
0.738 |
1 |
0 |
0 |
0.014 |
Average: |
69.1 |
-0.2 |
0.731 |
1 |
0 |
0 |
0.014 |
21 |
25 |
|
C |
8 |
5 |
7165 |
◊ |
D |
-x+1,y-1/2,-z+1 |
2_646 |
7 |
3 |
7220 |
68.3 |
-1.9 |
0.235 |
0 |
0 |
0 |
0.000 |
22 |
26 |
|
D |
5 |
3 |
7220 |
◊ |
A |
-x,y-1/2,-z |
2_545 |
9 |
5 |
7063 |
64.7 |
-0.3 |
0.570 |
1 |
1 |
0 |
0.000 |
23 |
27 |
|
C |
7 |
3 |
7165 |
◊ |
A |
-x,y-1/2,-z |
2_545 |
4 |
1 |
7063 |
60.8 |
0.0 |
0.592 |
1 |
0 |
0 |
0.000 |
24 |
28 |
|
C |
7 |
3 |
7165 |
x |
C |
x,y,z-1 |
1_554 |
6 |
2 |
7165 |
58.8 |
-0.5 |
0.532 |
0 |
0 |
0 |
0.000 |
25 |
29 |
|
[SO3]C:201 |
4 |
1 |
188 |
◊ |
A |
x,y,z |
1_555 |
11 |
4 |
7063 |
55.9 |
0.6 |
0.664 |
1 |
0 |
0 |
0.000 |
30 |
|
[SO3]B:201 |
4 |
1 |
187 |
◊ |
D |
x,y,z |
1_555 |
11 |
4 |
7220 |
55.6 |
0.5 |
0.664 |
1 |
0 |
0 |
0.000 |
Average: |
55.8 |
0.6 |
0.664 |
1 |
0 |
0 |
0.000 |
26 |
31 |
|
[SO3]D:201 |
4 |
1 |
187 |
◊ |
B |
x,y,z |
1_555 |
11 |
4 |
7110 |
55.7 |
0.6 |
0.671 |
1 |
0 |
0 |
0.000 |
27 |
32 |
|
[SO3]A:203 |
4 |
1 |
187 |
◊ |
C |
x,y,z |
1_555 |
9 |
4 |
7165 |
52.0 |
0.5 |
0.674 |
1 |
0 |
0 |
0.000 |
28 |
33 |
|
[6FX]C:202 |
13 |
1 |
456 |
◊ |
A |
x,y,z |
1_555 |
4 |
1 |
7063 |
45.0 |
-0.3 |
0.163 |
0 |
0 |
0 |
0.003 |
29 |
34 |
|
[SO3]A:203 |
3 |
1 |
187 |
f |
B |
x,y,z |
1_555 |
6 |
3 |
7110 |
35.4 |
-0.9 |
0.632 |
0 |
0 |
0 |
0.028 |
30 |
35 |
|
[SO3]C:201 |
3 |
1 |
188 |
◊ |
D |
x,y,z |
1_555 |
6 |
3 |
7220 |
33.7 |
-0.9 |
0.636 |
0 |
0 |
0 |
0.016 |
36 |
|
[SO3]B:201 |
2 |
1 |
187 |
◊ |
A |
x,y,z |
1_555 |
5 |
2 |
7063 |
26.9 |
-0.6 |
0.556 |
0 |
0 |
0 |
0.016 |
Average: |
30.3 |
-0.7 |
0.596 |
0 |
0 |
0 |
0.016 |
31 |
37 |
|
[6FX]D:202 |
10 |
1 |
461 |
◊ |
B |
x,y,z |
1_555 |
4 |
1 |
7110 |
33.2 |
0.0 |
0.244 |
0 |
0 |
0 |
0.000 |
32 |
38 |
|
B |
4 |
3 |
7110 |
◊ |
A |
-x+1,y-1/2,-z+1 |
2_646 |
6 |
3 |
7063 |
32.0 |
-0.4 |
0.521 |
0 |
0 |
0 |
0.000 |
33 |
39 |
|
[SO3]D:201 |
3 |
1 |
187 |
◊ |
C |
x,y,z |
1_555 |
6 |
3 |
7165 |
30.3 |
-0.6 |
0.644 |
0 |
0 |
0 |
0.007 |
34 |
40 |
|
[SO3]B:202 |
1 |
1 |
187 |
◊ |
D |
x,y,z |
1_555 |
5 |
1 |
7220 |
28.2 |
0.0 |
0.651 |
0 |
0 |
0 |
0.000 |
35 |
41 |
|
[SO3]A:201 |
3 |
1 |
185 |
◊ |
C |
x,y,z |
1_555 |
3 |
1 |
7165 |
25.5 |
-0.2 |
0.384 |
0 |
0 |
0 |
0.003 |
36 |
42 |
|
[SO3]A:202 |
2 |
1 |
186 |
◊ |
C |
x,y,z |
1_555 |
5 |
1 |
7165 |
24.3 |
-0.2 |
0.428 |
0 |
0 |
0 |
0.002 |
37 |
43 |
|
[SO3]A:202 |
3 |
1 |
186 |
f |
[SO3]A:201 |
x,y,z |
1_555 |
2 |
1 |
185 |
20.5 |
0.3 |
0.503 |
0 |
0 |
0 |
0.000 |
38 |
44 |
|
B |
2 |
1 |
7110 |
◊ |
C |
x,y,z-1 |
1_554 |
3 |
2 |
7165 |
15.3 |
0.0 |
0.629 |
0 |
0 |
0 |
0.000 |
39 |
45 |
|
A |
4 |
2 |
7063 |
x |
A |
-x,y-1/2,-z |
2_545 |
2 |
1 |
7063 |
13.5 |
0.1 |
0.678 |
0 |
0 |
0 |
0.000 |
|