## |
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 |
246 |
43 |
5396 |
◊ |
H |
x,y,z |
1_555 |
354 |
89 |
11212 |
2929.1 |
-30.8 |
0.428 |
65 |
5 |
0 |
0.610 |
2 |
|
C |
243 |
43 |
5431 |
◊ |
A |
x,y,z |
1_555 |
351 |
89 |
11035 |
2923.9 |
-30.3 |
0.475 |
59 |
4 |
0 |
0.610 |
Average: |
2926.5 |
-30.6 |
0.452 |
62 |
5 |
0 |
0.610 |
2 |
3 |
|
A |
87 |
23 |
11035 |
◊ |
A |
-x,y,-z+1/2 |
3_555 |
87 |
23 |
11035 |
728.9 |
2.5 |
0.899 |
10 |
0 |
0 |
0.000 |
4 |
|
H |
69 |
23 |
11212 |
◊ |
H |
x,-y-1,-z |
4_545 |
69 |
23 |
11212 |
623.5 |
2.1 |
0.872 |
10 |
2 |
0 |
0.000 |
Average: |
676.2 |
2.3 |
0.885 |
10 |
1 |
0 |
0.000 |
3 |
5 |
|
H |
60 |
19 |
11212 |
◊ |
A |
x-1/2,y-1/2,z |
5_445 |
55 |
18 |
11035 |
565.0 |
-6.5 |
0.275 |
1 |
0 |
0 |
0.000 |
6 |
|
H |
55 |
19 |
11212 |
◊ |
A |
x,y,z |
1_555 |
59 |
16 |
11035 |
558.8 |
-5.9 |
0.307 |
1 |
0 |
0 |
0.000 |
Average: |
561.9 |
-6.2 |
0.291 |
1 |
0 |
0 |
0.000 |
4 |
7 |
|
D |
25 |
8 |
5396 |
◊ |
D |
x,-y-1,-z |
4_545 |
25 |
8 |
5396 |
301.6 |
-1.0 |
0.773 |
2 |
0 |
0 |
0.000 |
8 |
|
C |
15 |
7 |
5431 |
◊ |
C |
-x,y,-z+1/2 |
3_555 |
15 |
7 |
5431 |
154.3 |
1.8 |
0.906 |
2 |
0 |
0 |
0.000 |
Average: |
228.0 |
0.4 |
0.840 |
2 |
0 |
0 |
0.000 |
5 |
9 |
|
[FLN]H:1204 |
17 |
1 |
400 |
◊ |
H |
x,y,z |
1_555 |
48 |
16 |
11212 |
281.9 |
6.5 |
0.347 |
2 |
0 |
0 |
0.000 |
10 |
|
[FLN]A:1204 |
17 |
1 |
402 |
◊ |
A |
x,y,z |
1_555 |
50 |
16 |
11035 |
279.8 |
6.6 |
0.365 |
2 |
0 |
0 |
0.000 |
Average: |
280.8 |
6.5 |
0.356 |
2 |
0 |
0 |
0.000 |
6 |
11 |
|
D |
15 |
7 |
5396 |
◊ |
H |
x,-y-1,-z |
4_545 |
14 |
6 |
11212 |
150.0 |
-1.9 |
0.316 |
0 |
0 |
0 |
0.000 |
12 |
|
C |
13 |
6 |
5431 |
◊ |
A |
-x,y,-z+1/2 |
3_555 |
19 |
5 |
11035 |
143.8 |
-1.9 |
0.422 |
1 |
1 |
0 |
0.000 |
Average: |
146.9 |
-1.9 |
0.369 |
1 |
1 |
0 |
0.000 |
7 |
13 |
|
[PEG]H:1206 |
7 |
1 |
257 |
◊ |
H |
x,y,z |
1_555 |
24 |
7 |
11212 |
146.0 |
3.7 |
0.390 |
2 |
0 |
0 |
0.000 |
8 |
14 |
|
[GOL]H:1205 |
6 |
1 |
217 |
f |
H |
x,y,z |
1_555 |
25 |
9 |
11212 |
144.4 |
-0.5 |
0.581 |
4 |
0 |
0 |
0.023 |
9 |
15 |
|
[PEG]C:1202 |
7 |
1 |
259 |
◊ |
A |
x,y,z |
1_555 |
25 |
7 |
11035 |
143.3 |
2.9 |
0.392 |
0 |
0 |
0 |
0.000 |
10 |
16 |
|
[SO4]H:1202 |
5 |
1 |
185 |
f |
H |
x,y,z |
1_555 |
19 |
7 |
11212 |
112.7 |
-16.7 |
0.770 |
8 |
0 |
0 |
0.204 |
11 |
17 |
|
[SO4]A:1202 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
13 |
6 |
11035 |
102.7 |
-16.5 |
0.815 |
8 |
0 |
0 |
0.211 |
12 |
18 |
|
H |
9 |
5 |
11212 |
◊ |
C |
x-1/2,y-1/2,z |
5_445 |
5 |
3 |
5431 |
81.2 |
-0.9 |
0.429 |
0 |
0 |
0 |
0.000 |
19 |
|
D |
5 |
3 |
5396 |
◊ |
A |
x,y,z |
1_555 |
10 |
4 |
11035 |
69.7 |
-1.1 |
0.403 |
0 |
0 |
0 |
0.000 |
Average: |
75.4 |
-1.0 |
0.416 |
0 |
0 |
0 |
0.000 |
13 |
20 |
|
[SO4]A:1203 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
9 |
2 |
11035 |
77.5 |
-9.1 |
0.937 |
3 |
0 |
0 |
0.110 |
14 |
21 |
|
[SO4]H:1203 |
5 |
1 |
188 |
◊ |
H |
x,y,z |
1_555 |
7 |
2 |
11212 |
75.0 |
-8.9 |
0.920 |
3 |
0 |
0 |
0.103 |
15 |
22 |
|
[GOL]C:1201 |
5 |
1 |
214 |
f |
C |
x,y,z |
1_555 |
13 |
5 |
5431 |
74.1 |
-0.2 |
0.648 |
3 |
0 |
0 |
0.356 |
16 |
23 |
|
[GOL]C:1201 |
5 |
1 |
214 |
◊ |
[GOL]C:1201 |
-x,y,-z+1/2 |
3_555 |
5 |
1 |
214 |
72.7 |
-0.4 |
0.504 |
0 |
0 |
0 |
0.000 |
17 |
24 |
|
[SO4]H:1203 |
5 |
1 |
188 |
f |
D |
x,y,z |
1_555 |
14 |
4 |
5396 |
68.7 |
-10.0 |
0.821 |
1 |
0 |
0 |
0.112 |
18 |
25 |
|
[SO4]A:1203 |
4 |
1 |
186 |
◊ |
C |
x,y,z |
1_555 |
15 |
4 |
5431 |
67.8 |
-9.7 |
0.810 |
1 |
0 |
0 |
0.107 |
19 |
26 |
|
[PEG]H:1206 |
6 |
1 |
257 |
◊ |
D |
x,y,z |
1_555 |
8 |
2 |
5396 |
61.2 |
1.1 |
0.233 |
1 |
0 |
0 |
0.000 |
20 |
27 |
|
C |
3 |
1 |
5431 |
◊ |
H |
-x,y,-z+1/2 |
3_555 |
6 |
2 |
11212 |
60.9 |
-1.5 |
0.201 |
0 |
0 |
0 |
0.000 |
28 |
|
D |
3 |
1 |
5396 |
◊ |
A |
x-1/2,-y-1/2,-z |
8_445 |
6 |
2 |
11035 |
58.1 |
-1.8 |
0.154 |
0 |
0 |
0 |
0.000 |
Average: |
59.5 |
-1.6 |
0.178 |
0 |
0 |
0 |
0.000 |
21 |
29 |
|
[PEG]C:1202 |
5 |
1 |
259 |
◊ |
C |
x,y,z |
1_555 |
8 |
2 |
5431 |
58.1 |
2.1 |
0.421 |
0 |
0 |
0 |
0.000 |
22 |
30 |
|
A |
6 |
3 |
11035 |
◊ |
A |
x,-y,-z |
4_555 |
6 |
3 |
11035 |
56.6 |
0.7 |
0.804 |
0 |
0 |
0 |
0.000 |
23 |
31 |
|
[GOL]C:1201 |
4 |
1 |
214 |
◊ |
C |
-x,y,-z+1/2 |
3_555 |
13 |
5 |
5431 |
55.0 |
-0.2 |
0.665 |
1 |
0 |
0 |
0.000 |
24 |
32 |
|
C |
2 |
1 |
5431 |
◊ |
H |
x,y,z |
1_555 |
7 |
3 |
11212 |
50.2 |
-0.6 |
0.273 |
0 |
0 |
0 |
0.000 |
33 |
|
D |
2 |
1 |
5396 |
◊ |
A |
x-1/2,y-1/2,z |
5_445 |
7 |
2 |
11035 |
43.5 |
-0.5 |
0.307 |
0 |
0 |
0 |
0.000 |
Average: |
46.8 |
-0.6 |
0.290 |
0 |
0 |
0 |
0.000 |
25 |
34 |
|
H |
6 |
1 |
11212 |
◊ |
H |
-x,y,-z+1/2 |
3_555 |
6 |
1 |
11212 |
50.1 |
-0.8 |
0.418 |
0 |
0 |
0 |
0.000 |
26 |
35 |
|
H |
7 |
2 |
11212 |
◊ |
A |
x-1/2,-y-1/2,-z |
8_445 |
3 |
1 |
11035 |
45.1 |
0.4 |
0.761 |
1 |
1 |
0 |
0.000 |
27 |
36 |
|
[FLN]A:1204 |
2 |
1 |
402 |
f |
C |
x,y,z |
1_555 |
5 |
2 |
5431 |
37.6 |
1.1 |
0.587 |
0 |
0 |
0 |
0.000 |
37 |
|
[FLN]H:1204 |
2 |
1 |
400 |
f |
D |
x,y,z |
1_555 |
6 |
2 |
5396 |
35.3 |
1.1 |
0.591 |
0 |
0 |
0 |
0.000 |
Average: |
36.5 |
1.1 |
0.589 |
0 |
0 |
0 |
0.000 |
28 |
38 |
|
H |
2 |
1 |
11212 |
◊ |
A |
-x,y,-z+1/2 |
3_555 |
4 |
1 |
11035 |
30.5 |
0.4 |
0.786 |
1 |
1 |
0 |
0.000 |
29 |
39 |
|
[PEG]H:1206 |
2 |
1 |
257 |
f |
H |
x,-y-1,-z |
4_545 |
4 |
2 |
11212 |
23.4 |
0.2 |
0.278 |
0 |
0 |
0 |
0.000 |
30 |
40 |
|
[SO4]A:1202 |
2 |
1 |
185 |
◊ |
C |
x,y,z |
1_555 |
3 |
3 |
5431 |
22.7 |
-2.5 |
0.883 |
0 |
0 |
0 |
0.027 |
31 |
41 |
|
[SO4]H:1202 |
2 |
1 |
185 |
◊ |
D |
x,y,z |
1_555 |
3 |
3 |
5396 |
20.3 |
-2.5 |
0.825 |
0 |
0 |
0 |
0.025 |
32 |
42 |
|
[SO4]A:1202 |
1 |
1 |
185 |
◊ |
H |
x,y,z |
1_555 |
2 |
2 |
11212 |
9.7 |
-0.9 |
0.833 |
0 |
0 |
0 |
0.000 |
33 |
43 |
|
[SO4]H:1202 |
1 |
1 |
185 |
◊ |
A |
x-1/2,y-1/2,z |
5_445 |
1 |
1 |
11035 |
8.3 |
-0.9 |
0.804 |
0 |
0 |
0 |
0.000 |
34 |
44 |
|
[PEG]C:1202 |
1 |
1 |
259 |
f |
A |
-x,y,-z+1/2 |
3_555 |
2 |
1 |
11035 |
3.2 |
0.0 |
0.428 |
0 |
0 |
0 |
0.000 |
35 |
45 |
|
[GOL]H:1205 |
2 |
1 |
217 |
◊ |
D |
x,y,z |
1_555 |
1 |
1 |
5396 |
0.6 |
-0.0 |
0.590 |
0 |
0 |
0 |
0.000 |
|