## |
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 |
|
F |
293 |
69 |
16167 |
◊ |
E |
x,y,z |
1_555 |
286 |
68 |
16698 |
2806.1 |
-46.3 |
0.004 |
20 |
7 |
0 |
0.723 |
2 |
|
H |
291 |
69 |
16386 |
◊ |
G |
x,y,z |
1_555 |
290 |
68 |
17051 |
2805.2 |
-47.5 |
0.003 |
22 |
7 |
0 |
0.723 |
3 |
|
D |
293 |
67 |
16729 |
◊ |
C |
x,y,z |
1_555 |
286 |
68 |
15989 |
2773.5 |
-46.3 |
0.004 |
18 |
8 |
0 |
0.723 |
4 |
|
B |
292 |
67 |
16196 |
◊ |
A |
x,y,z |
1_555 |
292 |
69 |
16164 |
2753.3 |
-47.5 |
0.002 |
19 |
7 |
0 |
0.723 |
Average: |
2784.6 |
-46.9 |
0.003 |
20 |
7 |
0 |
0.723 |
2 |
5 |
|
H |
155 |
43 |
16386 |
◊ |
E |
x,y,z |
1_555 |
164 |
43 |
16698 |
1527.1 |
-13.2 |
0.318 |
22 |
1 |
0 |
0.501 |
6 |
|
G |
151 |
42 |
17051 |
◊ |
F |
x,y,z |
1_555 |
155 |
41 |
16167 |
1481.4 |
-9.7 |
0.453 |
22 |
1 |
0 |
0.501 |
7 |
|
C |
154 |
39 |
15989 |
◊ |
B |
x,y,z |
1_555 |
149 |
38 |
16196 |
1480.9 |
-6.9 |
0.560 |
22 |
3 |
0 |
0.501 |
8 |
|
D |
146 |
38 |
16729 |
◊ |
A |
x,y,z |
1_555 |
154 |
39 |
16164 |
1455.0 |
-8.3 |
0.509 |
23 |
1 |
0 |
0.501 |
Average: |
1486.1 |
-9.5 |
0.460 |
22 |
2 |
0 |
0.501 |
3 |
9 |
|
C |
101 |
27 |
15989 |
◊ |
A |
x,y,z |
1_555 |
93 |
27 |
16164 |
917.2 |
-12.7 |
0.114 |
8 |
0 |
0 |
0.463 |
10 |
|
H |
94 |
27 |
16386 |
◊ |
F |
x,y,z |
1_555 |
96 |
28 |
16167 |
908.9 |
-13.2 |
0.093 |
8 |
0 |
0 |
0.463 |
11 |
|
G |
92 |
27 |
17051 |
◊ |
E |
x,y,z |
1_555 |
93 |
27 |
16698 |
897.5 |
-13.0 |
0.107 |
8 |
0 |
0 |
0.463 |
12 |
|
D |
96 |
27 |
16729 |
◊ |
B |
x,y,z |
1_555 |
96 |
27 |
16196 |
895.3 |
-12.8 |
0.116 |
8 |
0 |
0 |
0.463 |
Average: |
904.7 |
-12.9 |
0.107 |
8 |
0 |
0 |
0.463 |
4 |
13 |
|
H |
75 |
19 |
16386 |
◊ |
C |
x-1/2,-y+1/2,-z+1 |
4_456 |
78 |
20 |
15989 |
664.4 |
-3.2 |
0.540 |
7 |
1 |
0 |
0.053 |
5 |
14 |
|
[NAD]E:801 |
43 |
1 |
864 |
f |
E |
x,y,z |
1_555 |
89 |
34 |
16698 |
631.5 |
-5.9 |
0.595 |
9 |
0 |
0 |
0.537 |
15 |
|
[NAD]G:801 |
43 |
1 |
865 |
f |
G |
x,y,z |
1_555 |
86 |
34 |
17051 |
624.0 |
-6.2 |
0.568 |
7 |
0 |
0 |
0.537 |
16 |
|
[NAD]D:801 |
43 |
1 |
857 |
f |
D |
x,y,z |
1_555 |
86 |
33 |
16729 |
616.5 |
-6.1 |
0.581 |
10 |
0 |
0 |
0.537 |
17 |
|
[NAD]C:801 |
43 |
1 |
862 |
f |
C |
x,y,z |
1_555 |
83 |
35 |
15989 |
613.1 |
-6.7 |
0.509 |
12 |
0 |
0 |
0.537 |
18 |
|
[NAD]H:801 |
43 |
1 |
862 |
f |
H |
x,y,z |
1_555 |
87 |
34 |
16386 |
612.2 |
-7.3 |
0.472 |
13 |
0 |
0 |
0.537 |
19 |
|
[NAD]F:801 |
43 |
1 |
863 |
f |
F |
x,y,z |
1_555 |
86 |
35 |
16167 |
610.1 |
-7.3 |
0.472 |
10 |
0 |
0 |
0.537 |
20 |
|
[NAD]B:801 |
44 |
1 |
857 |
f |
B |
x,y,z |
1_555 |
82 |
34 |
16196 |
609.0 |
-6.5 |
0.499 |
11 |
0 |
0 |
0.537 |
21 |
|
[NAD]A:801 |
43 |
1 |
860 |
f |
A |
x,y,z |
1_555 |
83 |
33 |
16164 |
607.8 |
-6.9 |
0.504 |
14 |
0 |
0 |
0.537 |
Average: |
615.5 |
-6.6 |
0.525 |
11 |
0 |
0 |
0.537 |
6 |
22 |
|
B |
58 |
17 |
16196 |
◊ |
F |
-x+1,y-1/2,-z+3/2 |
3_646 |
72 |
21 |
16167 |
529.5 |
-2.7 |
0.536 |
2 |
0 |
0 |
0.002 |
7 |
23 |
|
A |
51 |
15 |
16164 |
◊ |
E |
-x,y-1/2,-z+3/2 |
3_546 |
49 |
14 |
16698 |
432.3 |
0.2 |
0.735 |
6 |
1 |
0 |
0.000 |
8 |
24 |
|
D |
57 |
17 |
16729 |
◊ |
G |
x-1/2,-y+1/2,-z+1 |
4_456 |
48 |
16 |
17051 |
416.8 |
-0.7 |
0.646 |
3 |
1 |
0 |
0.000 |
9 |
25 |
|
E |
31 |
12 |
16698 |
◊ |
F |
x-1,y,z |
1_455 |
31 |
10 |
16167 |
280.8 |
-0.8 |
0.633 |
1 |
0 |
0 |
0.000 |
10 |
26 |
|
A |
23 |
9 |
16164 |
◊ |
B |
x-1,y,z |
1_455 |
21 |
9 |
16196 |
180.5 |
-0.0 |
0.675 |
1 |
0 |
0 |
0.000 |
11 |
27 |
|
C |
20 |
6 |
15989 |
◊ |
E |
-x+1/2,-y,z-1/2 |
2_554 |
16 |
4 |
16698 |
160.5 |
-0.3 |
0.330 |
1 |
0 |
0 |
0.000 |
12 |
28 |
|
A |
13 |
3 |
16164 |
◊ |
D |
x-1/2,-y+1/2,-z+1 |
4_456 |
20 |
5 |
16729 |
141.9 |
-0.9 |
0.539 |
2 |
1 |
0 |
0.000 |
13 |
29 |
|
D |
13 |
6 |
16729 |
◊ |
B |
x-1/2,-y+1/2,-z+1 |
4_456 |
16 |
6 |
16196 |
131.4 |
0.8 |
0.741 |
3 |
1 |
0 |
0.000 |
14 |
30 |
|
G |
17 |
6 |
17051 |
◊ |
B |
x,y,z |
1_555 |
18 |
6 |
16196 |
119.0 |
0.8 |
0.716 |
1 |
0 |
0 |
0.000 |
15 |
31 |
|
E |
13 |
6 |
16698 |
◊ |
H |
-x,y-1/2,-z+3/2 |
3_546 |
15 |
5 |
16386 |
114.0 |
1.6 |
0.761 |
0 |
0 |
0 |
0.000 |
16 |
32 |
|
[SO4]B:802 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
23 |
10 |
16196 |
102.4 |
-14.1 |
0.782 |
2 |
0 |
0 |
0.213 |
17 |
33 |
|
[SO4]F:802 |
5 |
1 |
187 |
f |
F |
x,y,z |
1_555 |
16 |
5 |
16167 |
95.9 |
-11.1 |
0.879 |
1 |
0 |
0 |
0.221 |
18 |
34 |
|
[SO4]A:802 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
15 |
5 |
16164 |
95.0 |
-10.9 |
0.894 |
1 |
0 |
0 |
0.192 |
19 |
35 |
|
[SO4]D:802 |
5 |
1 |
186 |
f |
D |
x,y,z |
1_555 |
15 |
5 |
16729 |
88.6 |
-11.5 |
0.848 |
2 |
0 |
0 |
0.157 |
20 |
36 |
|
[NAD]B:801 |
9 |
1 |
857 |
◊ |
F |
-x+1,y-1/2,-z+3/2 |
3_646 |
11 |
4 |
16167 |
81.6 |
0.1 |
0.684 |
1 |
0 |
0 |
0.000 |
21 |
37 |
|
[SO4]D:804 |
5 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
10 |
5 |
16729 |
80.0 |
-12.0 |
0.583 |
2 |
0 |
0 |
0.163 |
22 |
38 |
|
A |
12 |
4 |
16164 |
◊ |
B |
x-1/2,-y-1/2,-z+1 |
4_446 |
8 |
3 |
16196 |
78.1 |
-0.3 |
0.600 |
1 |
2 |
0 |
0.000 |
23 |
39 |
|
[SO4]D:803 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
14 |
5 |
16196 |
77.2 |
-9.3 |
0.875 |
2 |
0 |
0 |
0.144 |
24 |
40 |
|
G |
8 |
2 |
17051 |
◊ |
F |
-x,y-1/2,-z+3/2 |
3_546 |
9 |
2 |
16167 |
63.3 |
-0.3 |
0.539 |
0 |
0 |
0 |
0.000 |
25 |
41 |
|
H |
11 |
4 |
16386 |
◊ |
[NAD]C:801 |
x-1/2,-y+1/2,-z+1 |
4_456 |
8 |
1 |
862 |
62.7 |
0.1 |
0.689 |
0 |
0 |
0 |
0.000 |
26 |
42 |
|
[SO4]F:802 |
4 |
1 |
187 |
◊ |
H |
x,y,z |
1_555 |
10 |
4 |
16386 |
58.1 |
-7.8 |
0.699 |
1 |
0 |
0 |
0.135 |
27 |
43 |
|
G |
9 |
4 |
17051 |
◊ |
E |
-x,y-1/2,-z+3/2 |
3_546 |
4 |
2 |
16698 |
57.6 |
0.3 |
0.617 |
1 |
2 |
0 |
0.000 |
28 |
44 |
|
H |
4 |
1 |
16386 |
◊ |
F |
x-1,y,z |
1_455 |
8 |
5 |
16167 |
53.5 |
0.0 |
0.660 |
0 |
0 |
0 |
0.000 |
29 |
45 |
|
[SO4]D:802 |
4 |
1 |
186 |
◊ |
B |
x,y,z |
1_555 |
9 |
4 |
16196 |
52.5 |
-7.0 |
0.823 |
1 |
0 |
0 |
0.067 |
30 |
46 |
|
[SO4]D:803 |
4 |
1 |
185 |
◊ |
D |
x,y,z |
1_555 |
12 |
4 |
16729 |
51.9 |
-7.0 |
0.734 |
1 |
0 |
0 |
0.067 |
31 |
47 |
|
[SO4]A:802 |
4 |
1 |
186 |
◊ |
C |
x,y,z |
1_555 |
8 |
3 |
15989 |
50.6 |
-6.5 |
0.815 |
0 |
0 |
0 |
0.109 |
32 |
48 |
|
D |
4 |
2 |
16729 |
◊ |
[NAD]G:801 |
x-1/2,-y+1/2,-z+1 |
4_456 |
5 |
1 |
865 |
44.0 |
1.2 |
0.818 |
1 |
0 |
0 |
0.000 |
33 |
49 |
|
H |
5 |
3 |
16386 |
◊ |
G |
x-1,y,z |
1_455 |
6 |
2 |
17051 |
41.3 |
-0.5 |
0.477 |
0 |
0 |
0 |
0.000 |
34 |
50 |
|
H |
5 |
3 |
16386 |
◊ |
D |
x-1/2,-y+1/2,-z+1 |
4_456 |
5 |
2 |
16729 |
39.7 |
0.7 |
0.749 |
1 |
2 |
0 |
0.000 |
35 |
51 |
|
G |
3 |
2 |
17051 |
◊ |
F |
-x+1,y-1/2,-z+3/2 |
3_646 |
3 |
2 |
16167 |
34.8 |
-0.7 |
0.290 |
0 |
0 |
0 |
0.000 |
36 |
52 |
|
[SO4]B:802 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
4 |
2 |
16164 |
34.2 |
-4.3 |
0.438 |
0 |
0 |
0 |
0.033 |
37 |
53 |
|
E |
3 |
1 |
16698 |
◊ |
H |
-x+1,y-1/2,-z+3/2 |
3_646 |
2 |
1 |
16386 |
34.1 |
-1.1 |
0.139 |
0 |
0 |
0 |
0.000 |
38 |
54 |
|
A |
7 |
3 |
16164 |
◊ |
[NAD]E:801 |
-x,y-1/2,-z+3/2 |
3_546 |
6 |
1 |
864 |
29.8 |
-0.3 |
0.579 |
0 |
0 |
0 |
0.000 |
39 |
55 |
|
[SO4]D:803 |
4 |
1 |
185 |
f |
[SO4]B:802 |
x,y,z |
1_555 |
4 |
1 |
185 |
21.8 |
-4.8 |
0.998 |
0 |
0 |
0 |
0.068 |
40 |
56 |
|
A |
3 |
2 |
16164 |
x |
A |
x-1/2,-y-1/2,-z+1 |
4_446 |
4 |
3 |
16164 |
14.6 |
0.5 |
0.745 |
0 |
0 |
0 |
0.000 |
41 |
57 |
|
D |
2 |
2 |
16729 |
x |
D |
x-1/2,-y+1/2,-z+1 |
4_456 |
2 |
2 |
16729 |
13.3 |
0.4 |
0.786 |
0 |
0 |
0 |
0.000 |
42 |
58 |
|
B |
2 |
2 |
16196 |
◊ |
D |
x-1/2,-y+1/2,-z+1 |
4_456 |
2 |
1 |
16729 |
11.9 |
0.5 |
0.814 |
0 |
0 |
0 |
0.000 |
43 |
59 |
|
[SO4]D:803 |
1 |
1 |
185 |
◊ |
[SO4]D:802 |
x,y,z |
1_555 |
1 |
1 |
186 |
10.9 |
-2.6 |
0.800 |
0 |
0 |
0 |
0.024 |
44 |
60 |
|
[SO4]A:802 |
3 |
1 |
186 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
16196 |
8.0 |
-1.1 |
0.644 |
0 |
0 |
0 |
0.008 |
45 |
61 |
|
[SO4]D:802 |
1 |
1 |
186 |
◊ |
C |
x,y,z |
1_555 |
2 |
1 |
15989 |
7.2 |
-1.0 |
0.585 |
0 |
0 |
0 |
0.009 |
46 |
62 |
|
[SO4]D:803 |
1 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
16164 |
6.2 |
-0.8 |
0.589 |
0 |
0 |
0 |
0.007 |
47 |
63 |
|
[SO4]F:802 |
1 |
1 |
187 |
◊ |
E |
x,y,z |
1_555 |
2 |
1 |
16698 |
3.7 |
-0.5 |
0.727 |
0 |
0 |
0 |
0.005 |
48 |
64 |
|
E |
1 |
1 |
16698 |
◊ |
G |
-x+1,y-1/2,-z+3/2 |
3_646 |
2 |
1 |
17051 |
1.7 |
-0.0 |
0.553 |
0 |
0 |
0 |
0.000 |
|