## |
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 |
123 |
35 |
8212 |
◊ |
C |
x,y,z |
1_555 |
123 |
33 |
8426 |
1250.2 |
-14.8 |
0.092 |
21 |
8 |
0 |
0.568 |
2 |
|
B |
118 |
32 |
8435 |
◊ |
A |
x,y,z |
1_555 |
123 |
34 |
7982 |
1210.7 |
-13.3 |
0.103 |
19 |
9 |
0 |
0.568 |
3 |
|
F |
121 |
32 |
8065 |
◊ |
E |
x,y,z |
1_555 |
116 |
33 |
7947 |
1206.0 |
-13.3 |
0.141 |
16 |
8 |
0 |
0.568 |
4 |
|
H |
123 |
33 |
8150 |
◊ |
G |
x,y,z |
1_555 |
122 |
32 |
7968 |
1180.5 |
-9.8 |
0.290 |
19 |
10 |
0 |
0.568 |
5 |
|
J |
121 |
32 |
8166 |
◊ |
I |
x,y,z |
1_555 |
117 |
31 |
8002 |
1149.1 |
-10.8 |
0.222 |
17 |
6 |
0 |
0.568 |
Average: |
1199.3 |
-12.4 |
0.170 |
18 |
8 |
0 |
0.568 |
2 |
6 |
|
C |
76 |
23 |
8426 |
◊ |
B |
x,y,z |
1_555 |
77 |
22 |
8435 |
720.3 |
-1.8 |
0.616 |
9 |
7 |
0 |
0.127 |
7 |
|
E |
78 |
23 |
7947 |
◊ |
D |
x,y,z |
1_555 |
75 |
24 |
8212 |
706.3 |
-0.7 |
0.670 |
14 |
6 |
0 |
0.127 |
8 |
|
J |
75 |
22 |
8166 |
◊ |
A |
x,y,z |
1_555 |
73 |
22 |
7982 |
695.1 |
-0.4 |
0.685 |
16 |
7 |
0 |
0.127 |
9 |
|
I |
75 |
22 |
8002 |
◊ |
H |
x,y,z |
1_555 |
82 |
23 |
8150 |
685.2 |
-0.2 |
0.744 |
11 |
6 |
0 |
0.127 |
10 |
|
G |
74 |
21 |
7968 |
◊ |
F |
x,y,z |
1_555 |
70 |
21 |
8065 |
680.9 |
-0.8 |
0.708 |
12 |
6 |
0 |
0.127 |
Average: |
697.6 |
-0.8 |
0.685 |
12 |
6 |
0 |
0.127 |
3 |
11 |
|
A |
44 |
10 |
7982 |
◊ |
F |
x-1,y,z |
1_455 |
42 |
11 |
8065 |
349.3 |
-4.9 |
0.249 |
1 |
0 |
0 |
0.037 |
12 |
|
D |
41 |
9 |
8212 |
◊ |
I |
x,y,z-1 |
1_554 |
43 |
11 |
8002 |
337.7 |
-6.0 |
0.152 |
0 |
0 |
0 |
0.037 |
Average: |
343.5 |
-5.4 |
0.201 |
1 |
0 |
0 |
0.037 |
4 |
13 |
|
A |
33 |
12 |
7982 |
◊ |
B |
-x,y-1/2,-z |
2_545 |
32 |
10 |
8435 |
292.9 |
3.7 |
0.902 |
5 |
2 |
0 |
0.000 |
5 |
14 |
|
I |
32 |
8 |
8002 |
◊ |
H |
-x+1,y-1/2,-z+1 |
2_646 |
30 |
10 |
8150 |
254.2 |
0.8 |
0.753 |
1 |
0 |
0 |
0.000 |
6 |
15 |
|
G |
21 |
6 |
7968 |
◊ |
D |
-x+1,y-1/2,-z |
2_645 |
20 |
6 |
8212 |
178.4 |
1.0 |
0.732 |
1 |
0 |
0 |
0.000 |
7 |
16 |
|
E |
17 |
5 |
7947 |
◊ |
H |
x,y,z-1 |
1_554 |
18 |
6 |
8150 |
165.6 |
0.9 |
0.743 |
2 |
3 |
0 |
0.000 |
17 |
|
J |
15 |
5 |
8166 |
◊ |
G |
x-1,y,z |
1_455 |
17 |
7 |
7968 |
144.5 |
0.9 |
0.758 |
0 |
1 |
0 |
0.000 |
Average: |
155.1 |
0.9 |
0.751 |
1 |
2 |
0 |
0.000 |
8 |
18 |
|
[PEG]H:1165 |
7 |
1 |
252 |
f |
H |
x,y,z |
1_555 |
21 |
10 |
8150 |
144.5 |
2.3 |
0.276 |
3 |
0 |
0 |
0.000 |
9 |
19 |
|
[PEG]F:1165 |
7 |
1 |
243 |
◊ |
F |
x,y,z |
1_555 |
23 |
9 |
8065 |
126.4 |
3.5 |
0.482 |
0 |
0 |
0 |
0.000 |
10 |
20 |
|
[SO4]C:1165 |
5 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
20 |
8 |
8426 |
106.0 |
-16.8 |
0.688 |
1 |
0 |
0 |
0.284 |
11 |
21 |
|
[SO4]F:1164 |
5 |
1 |
184 |
f |
F |
x,y,z |
1_555 |
16 |
9 |
8065 |
102.8 |
-14.5 |
0.930 |
8 |
0 |
0 |
0.275 |
12 |
22 |
|
[SO4]H:1164 |
5 |
1 |
185 |
f |
H |
x,y,z |
1_555 |
15 |
7 |
8150 |
102.8 |
-15.6 |
0.807 |
6 |
0 |
0 |
0.337 |
13 |
23 |
|
[SO4]E:1164 |
5 |
1 |
185 |
f |
E |
x,y,z |
1_555 |
16 |
8 |
7947 |
102.7 |
-15.3 |
0.802 |
6 |
0 |
0 |
0.274 |
14 |
24 |
|
C |
11 |
4 |
8426 |
◊ |
F |
-x+1,y-1/2,-z |
2_645 |
12 |
5 |
8065 |
102.6 |
2.1 |
0.881 |
3 |
4 |
0 |
0.000 |
15 |
25 |
|
[SO4]G:1164 |
5 |
1 |
184 |
f |
G |
x,y,z |
1_555 |
18 |
9 |
7968 |
101.6 |
-14.6 |
0.932 |
6 |
0 |
0 |
0.317 |
16 |
26 |
|
[SO4]A:1165 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
14 |
8 |
7982 |
100.6 |
-14.4 |
0.920 |
7 |
0 |
0 |
0.432 |
17 |
27 |
|
[SO4]J:1165 |
5 |
1 |
185 |
f |
J |
x,y,z |
1_555 |
13 |
7 |
8166 |
99.5 |
-16.0 |
0.805 |
4 |
0 |
0 |
0.264 |
18 |
28 |
|
[SO4]D:1165 |
5 |
1 |
184 |
f |
D |
x,y,z |
1_555 |
19 |
9 |
8212 |
98.0 |
-15.3 |
0.723 |
6 |
0 |
0 |
0.297 |
19 |
29 |
|
[SO4]I:1164 |
5 |
1 |
185 |
f |
I |
x,y,z |
1_555 |
16 |
8 |
8002 |
96.9 |
-15.4 |
0.750 |
7 |
0 |
0 |
0.249 |
20 |
30 |
|
[PEG]I:1167 |
6 |
1 |
246 |
f |
I |
x,y,z |
1_555 |
10 |
6 |
8002 |
91.6 |
1.3 |
0.217 |
4 |
0 |
0 |
0.007 |
21 |
31 |
|
[SO4]I:1165 |
5 |
1 |
185 |
f |
I |
x,y,z |
1_555 |
11 |
4 |
8002 |
89.2 |
-12.9 |
0.884 |
4 |
0 |
0 |
0.198 |
22 |
32 |
|
[SO4]J:1166 |
5 |
1 |
186 |
f |
J |
x,y,z |
1_555 |
9 |
6 |
8166 |
77.1 |
-11.4 |
0.629 |
1 |
0 |
0 |
0.177 |
23 |
33 |
|
[PEG]F:1165 |
5 |
1 |
243 |
f |
E |
x,y,z |
1_555 |
10 |
5 |
7947 |
71.7 |
0.5 |
0.189 |
2 |
0 |
0 |
0.005 |
24 |
34 |
|
J |
9 |
4 |
8166 |
◊ |
F |
x-1,y,z |
1_455 |
5 |
3 |
8065 |
69.7 |
-1.2 |
0.305 |
0 |
0 |
0 |
0.021 |
35 |
|
A |
7 |
3 |
7982 |
◊ |
G |
x-1,y,z |
1_455 |
7 |
4 |
7968 |
64.6 |
0.6 |
0.471 |
0 |
0 |
0 |
0.021 |
36 |
|
D |
4 |
2 |
8212 |
◊ |
H |
x,y,z-1 |
1_554 |
7 |
4 |
8150 |
63.4 |
0.1 |
0.489 |
0 |
0 |
0 |
0.021 |
37 |
|
E |
7 |
4 |
7947 |
◊ |
I |
x,y,z-1 |
1_554 |
8 |
3 |
8002 |
60.4 |
-1.6 |
0.222 |
0 |
0 |
0 |
0.021 |
Average: |
64.5 |
-0.5 |
0.372 |
0 |
0 |
0 |
0.021 |
25 |
38 |
|
A |
10 |
3 |
7982 |
◊ |
E |
x-1,y,z |
1_455 |
6 |
1 |
7947 |
61.7 |
-0.9 |
0.227 |
0 |
0 |
0 |
0.015 |
39 |
|
C |
5 |
2 |
8426 |
◊ |
I |
x,y,z-1 |
1_554 |
11 |
3 |
8002 |
61.4 |
-1.1 |
0.207 |
0 |
0 |
0 |
0.015 |
40 |
|
B |
5 |
2 |
8435 |
◊ |
F |
x-1,y,z |
1_455 |
10 |
3 |
8065 |
59.6 |
-1.3 |
0.193 |
0 |
0 |
0 |
0.015 |
41 |
|
D |
10 |
3 |
8212 |
◊ |
J |
x,y,z-1 |
1_554 |
4 |
1 |
8166 |
53.6 |
-1.4 |
0.161 |
0 |
0 |
0 |
0.015 |
Average: |
59.1 |
-1.2 |
0.197 |
0 |
0 |
0 |
0.015 |
26 |
42 |
|
E |
5 |
2 |
7947 |
f |
[SO4]I:1166 |
x,y,z-1 |
1_554 |
4 |
1 |
185 |
54.8 |
-7.2 |
0.575 |
2 |
0 |
0 |
0.124 |
27 |
43 |
|
[PEG]I:1167 |
5 |
1 |
246 |
◊ |
H |
x,y,z |
1_555 |
5 |
3 |
8150 |
49.4 |
1.4 |
0.311 |
0 |
0 |
0 |
0.000 |
28 |
44 |
|
[PEG]F:1166 |
3 |
1 |
251 |
f |
F |
x,y,z |
1_555 |
8 |
3 |
8065 |
46.2 |
0.5 |
0.295 |
0 |
0 |
0 |
0.000 |
29 |
45 |
|
[SO4]I:1166 |
3 |
1 |
185 |
◊ |
I |
x,y,z |
1_555 |
4 |
1 |
8002 |
34.3 |
-3.9 |
0.920 |
1 |
0 |
0 |
0.058 |
30 |
46 |
|
[PEG]F:1166 |
2 |
1 |
251 |
f |
[SO4]F:1164 |
x,y,z |
1_555 |
3 |
1 |
184 |
31.9 |
-3.1 |
0.569 |
1 |
0 |
0 |
0.054 |
31 |
47 |
|
[SO4]J:1166 |
4 |
1 |
186 |
◊ |
A |
x,y,z |
1_555 |
5 |
2 |
7982 |
31.9 |
-3.6 |
0.717 |
1 |
0 |
0 |
0.060 |
32 |
48 |
|
[SO4]J:1166 |
4 |
1 |
186 |
f |
[SO4]J:1165 |
x,y,z |
1_555 |
4 |
1 |
185 |
31.5 |
-7.0 |
0.998 |
0 |
0 |
0 |
0.103 |
33 |
49 |
|
[SO4]I:1166 |
4 |
1 |
185 |
◊ |
[SO4]I:1165 |
x,y,z |
1_555 |
4 |
1 |
185 |
28.8 |
-6.4 |
0.998 |
0 |
0 |
0 |
0.086 |
34 |
50 |
|
[PEG]I:1167 |
2 |
1 |
246 |
f |
[SO4]I:1164 |
x,y,z |
1_555 |
3 |
1 |
185 |
20.5 |
-1.9 |
0.569 |
0 |
0 |
0 |
0.025 |
35 |
51 |
|
A |
4 |
2 |
7982 |
◊ |
[PEG]F:1166 |
x-1,y,z |
1_455 |
5 |
1 |
251 |
18.6 |
0.5 |
0.199 |
0 |
0 |
0 |
0.000 |
36 |
52 |
|
[SO4]D:1165 |
1 |
1 |
184 |
◊ |
E |
x,y,z |
1_555 |
3 |
1 |
7947 |
8.5 |
-1.1 |
0.643 |
0 |
0 |
0 |
0.002 |
37 |
53 |
|
[SO4]I:1164 |
1 |
1 |
185 |
◊ |
H |
x,y,z |
1_555 |
4 |
1 |
8150 |
7.9 |
-1.1 |
0.683 |
0 |
0 |
0 |
0.000 |
38 |
54 |
|
D |
1 |
1 |
8212 |
◊ |
[SO4]I:1165 |
x,y,z-1 |
1_554 |
2 |
1 |
185 |
6.9 |
-0.9 |
0.526 |
0 |
0 |
0 |
0.006 |
39 |
55 |
|
[SO4]D:1165 |
1 |
1 |
184 |
◊ |
[SO4]I:1166 |
x,y,z-1 |
1_554 |
1 |
1 |
185 |
6.7 |
-1.6 |
0.800 |
0 |
0 |
0 |
0.003 |
40 |
56 |
|
[SO4]F:1164 |
1 |
1 |
184 |
◊ |
G |
x,y,z |
1_555 |
2 |
1 |
7968 |
4.0 |
-0.5 |
0.704 |
0 |
0 |
0 |
0.000 |
41 |
57 |
|
[SO4]A:1165 |
1 |
1 |
185 |
◊ |
J |
x,y,z |
1_555 |
2 |
1 |
8166 |
3.7 |
-0.5 |
0.716 |
0 |
0 |
0 |
0.007 |
42 |
58 |
|
D |
1 |
1 |
8212 |
◊ |
[SO4]I:1166 |
x,y,z-1 |
1_554 |
1 |
1 |
185 |
1.4 |
-0.2 |
0.716 |
0 |
0 |
0 |
0.000 |
43 |
59 |
|
D |
1 |
1 |
8212 |
◊ |
[SO4]I:1164 |
x,y,z-1 |
1_554 |
1 |
1 |
185 |
1.0 |
-0.1 |
0.723 |
0 |
0 |
0 |
0.000 |
44 |
60 |
|
[SO4]E:1164 |
1 |
1 |
185 |
◊ |
D |
x,y,z |
1_555 |
1 |
1 |
8212 |
0.1 |
-0.0 |
0.796 |
0 |
0 |
0 |
0.000 |
|