| ## |
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 |
|
B |
136 |
38 |
5998 |
◊ |
A |
x,y,z |
1_555 |
137 |
37 |
6067 |
1309.5 |
-16.1 |
0.029 |
14 |
0 |
0 |
0.320 |
2 |
|
D |
131 |
38 |
5922 |
◊ |
C |
x,y,z |
1_555 |
127 |
35 |
5861 |
1246.5 |
-18.9 |
0.017 |
12 |
0 |
0 |
0.320 |
| Average: |
1278.0 |
-17.5 |
0.023 |
13 |
0 |
0 |
0.320 |
| 2 |
3 |
|
C |
50 |
14 |
5861 |
◊ |
A |
x,y,z |
1_555 |
51 |
14 |
6067 |
482.0 |
-1.0 |
0.569 |
12 |
0 |
0 |
0.061 |
4 |
|
D |
50 |
15 |
5922 |
◊ |
B |
x,y,z |
1_555 |
51 |
14 |
5998 |
481.1 |
-1.4 |
0.545 |
12 |
0 |
0 |
0.061 |
| Average: |
481.6 |
-1.2 |
0.557 |
12 |
0 |
0 |
0.061 |
| 3 |
5 |
|
C |
45 |
15 |
5861 |
◊ |
A |
x-1,y,z |
1_455 |
38 |
13 |
6067 |
373.5 |
-0.8 |
0.599 |
8 |
0 |
0 |
0.047 |
| 4 |
6 |
|
D |
25 |
10 |
5922 |
◊ |
B |
-x,y-1/2,-z+1 |
2_546 |
31 |
11 |
5998 |
250.8 |
-0.7 |
0.422 |
1 |
0 |
0 |
0.000 |
| 5 |
7 |
|
A |
25 |
8 |
6067 |
◊ |
B |
-x,y-1/2,-z |
2_545 |
28 |
8 |
5998 |
238.0 |
1.4 |
0.798 |
7 |
0 |
0 |
0.000 |
| 6 |
8 |
|
C |
29 |
8 |
5861 |
◊ |
B |
-x-1,y-1/2,-z |
2_445 |
29 |
9 |
5998 |
225.3 |
-1.6 |
0.463 |
1 |
0 |
0 |
0.010 |
| 7 |
9 |
|
C |
23 |
10 |
5861 |
◊ |
B |
x,y,z |
1_555 |
24 |
11 |
5998 |
202.9 |
-2.2 |
0.283 |
2 |
2 |
0 |
0.030 |
10 |
|
D |
21 |
10 |
5922 |
◊ |
A |
x,y,z |
1_555 |
19 |
10 |
6067 |
172.9 |
-2.2 |
0.191 |
1 |
2 |
0 |
0.030 |
| Average: |
187.9 |
-2.2 |
0.237 |
2 |
2 |
0 |
0.030 |
| 8 |
11 |
|
[MFU]D:1117 |
11 |
1 |
316 |
f |
D |
x,y,z |
1_555 |
21 |
12 |
5922 |
157.5 |
1.9 |
0.536 |
2 |
0 |
0 |
0.000 |
12 |
|
[MFU]C:1117 |
11 |
1 |
322 |
f |
C |
x,y,z |
1_555 |
21 |
12 |
5861 |
155.8 |
1.5 |
0.506 |
2 |
0 |
0 |
0.000 |
| Average: |
156.7 |
1.7 |
0.521 |
2 |
0 |
0 |
0.000 |
| 9 |
13 |
|
A |
20 |
7 |
6067 |
◊ |
B |
-x,y-1/2,-z+1 |
2_546 |
17 |
7 |
5998 |
150.3 |
1.0 |
0.756 |
2 |
0 |
0 |
0.000 |
| 10 |
14 |
|
B |
18 |
9 |
5998 |
◊ |
D |
x,y,z-1 |
1_554 |
16 |
7 |
5922 |
147.9 |
-0.1 |
0.630 |
2 |
0 |
0 |
0.001 |
| 11 |
15 |
|
C |
14 |
6 |
5861 |
◊ |
B |
x-1,y,z |
1_455 |
18 |
8 |
5998 |
138.8 |
-0.7 |
0.445 |
0 |
0 |
0 |
0.003 |
| 12 |
16 |
|
D |
17 |
6 |
5922 |
◊ |
A |
x-1,y,z |
1_455 |
12 |
5 |
6067 |
109.4 |
-1.4 |
0.370 |
1 |
0 |
0 |
0.009 |
| 13 |
17 |
|
[SO4]A:1115 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
15 |
9 |
6067 |
99.1 |
-14.6 |
0.842 |
4 |
0 |
0 |
0.235 |
| 14 |
18 |
|
[GOL]A:1117 |
5 |
1 |
217 |
f |
A |
x,y,z |
1_555 |
15 |
7 |
6067 |
98.3 |
0.7 |
0.687 |
5 |
0 |
0 |
0.022 |
| 15 |
19 |
|
D |
12 |
5 |
5922 |
x |
D |
-x-1,y-1/2,-z+1 |
2_446 |
9 |
3 |
5922 |
92.4 |
2.1 |
0.890 |
2 |
0 |
0 |
0.000 |
| 16 |
20 |
|
D |
11 |
4 |
5922 |
◊ |
B |
-x-1,y-1/2,-z |
2_445 |
8 |
3 |
5998 |
87.0 |
0.7 |
0.694 |
0 |
0 |
0 |
0.000 |
| 17 |
21 |
|
[SO4]B:1115 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
15 |
9 |
5998 |
83.5 |
-12.2 |
0.826 |
2 |
0 |
0 |
0.187 |
| 18 |
22 |
|
[SO4]C:1118 |
5 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
8 |
4 |
5861 |
82.7 |
-12.6 |
0.710 |
4 |
0 |
0 |
0.155 |
| 19 |
23 |
|
[SO4]C:1119 |
5 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
15 |
6 |
5861 |
82.4 |
-11.8 |
0.754 |
2 |
0 |
0 |
0.136 |
| 20 |
24 |
|
[SO4]B:1116 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
8 |
4 |
5998 |
81.0 |
-12.2 |
0.692 |
2 |
0 |
0 |
0.187 |
| 21 |
25 |
|
D |
12 |
5 |
5922 |
◊ |
[GOL]A:555 |
-x,y-1/2,-z+1 |
2_546 |
6 |
1 |
219 |
81.0 |
0.0 |
0.605 |
4 |
0 |
0 |
0.000 |
| 22 |
26 |
|
C |
11 |
6 |
5861 |
◊ |
[GOL]A:1117 |
x-1,y,z |
1_455 |
6 |
1 |
217 |
80.2 |
-0.4 |
0.528 |
2 |
0 |
0 |
0.014 |
| 23 |
27 |
|
[SO4]D:1118 |
5 |
1 |
184 |
f |
D |
x,y,z |
1_555 |
11 |
5 |
5922 |
79.2 |
-11.8 |
0.805 |
5 |
0 |
0 |
0.114 |
| 24 |
28 |
|
A |
12 |
6 |
6067 |
◊ |
[GOL]A:555 |
-x,y-1/2,-z+1 |
2_546 |
5 |
1 |
219 |
78.0 |
-0.2 |
0.520 |
3 |
0 |
0 |
0.000 |
| 25 |
29 |
|
A |
9 |
4 |
6067 |
◊ |
D |
x,y,z-1 |
1_554 |
10 |
3 |
5922 |
77.5 |
0.1 |
0.635 |
0 |
0 |
0 |
0.000 |
| 26 |
30 |
|
D |
11 |
3 |
5922 |
◊ |
C |
-x-1,y-1/2,-z+1 |
2_446 |
6 |
2 |
5861 |
75.1 |
-0.4 |
0.437 |
1 |
0 |
0 |
0.000 |
| 27 |
31 |
|
D |
9 |
5 |
5922 |
◊ |
A |
-x,y-1/2,-z+1 |
2_546 |
7 |
2 |
6067 |
74.0 |
0.5 |
0.737 |
0 |
0 |
0 |
0.000 |
| 28 |
32 |
|
[SO4]A:1116 |
5 |
1 |
186 |
◊ |
A |
x,y,z |
1_555 |
10 |
5 |
6067 |
62.0 |
-9.1 |
0.651 |
2 |
0 |
0 |
0.107 |
| 29 |
33 |
|
[SO4]B:1115 |
5 |
1 |
185 |
◊ |
D |
x,y,z-1 |
1_554 |
8 |
4 |
5922 |
61.1 |
-7.5 |
0.755 |
3 |
0 |
0 |
0.012 |
| 30 |
34 |
|
C |
11 |
4 |
5861 |
f |
[SO4]A:1116 |
x-1,y,z |
1_455 |
5 |
1 |
186 |
60.5 |
-8.3 |
0.771 |
4 |
0 |
0 |
0.108 |
| 31 |
35 |
|
C |
7 |
3 |
5861 |
◊ |
A |
x-1,y,z-1 |
1_454 |
4 |
1 |
6067 |
55.2 |
-0.8 |
0.248 |
0 |
0 |
0 |
0.000 |
| 32 |
36 |
|
[SO4]D:1118 |
4 |
1 |
184 |
◊ |
B |
-x-1,y-1/2,-z |
2_445 |
3 |
1 |
5998 |
42.7 |
-3.9 |
0.989 |
2 |
0 |
0 |
0.023 |
| 33 |
37 |
|
[SO4]C:1118 |
4 |
1 |
185 |
◊ |
B |
-x-1,y-1/2,-z |
2_445 |
8 |
5 |
5998 |
40.5 |
-4.1 |
0.936 |
1 |
0 |
0 |
0.022 |
| 34 |
38 |
|
A |
6 |
2 |
6067 |
◊ |
C |
-x-1,y-1/2,-z |
2_445 |
5 |
1 |
5861 |
38.1 |
-0.4 |
0.456 |
0 |
0 |
0 |
0.000 |
| 35 |
39 |
|
[MFU]D:1117 |
4 |
1 |
316 |
◊ |
C |
x,y,z |
1_555 |
3 |
1 |
5861 |
36.7 |
0.4 |
0.516 |
0 |
0 |
0 |
0.000 |
40 |
|
[MFU]C:1117 |
4 |
1 |
322 |
◊ |
D |
x,y,z |
1_555 |
3 |
1 |
5922 |
34.0 |
0.3 |
0.528 |
0 |
0 |
0 |
0.000 |
| Average: |
35.3 |
0.3 |
0.522 |
0 |
0 |
0 |
0.000 |
| 36 |
41 |
|
D |
7 |
2 |
5922 |
◊ |
[MFU]C:1117 |
-x-1,y-1/2,-z+1 |
2_446 |
1 |
1 |
322 |
36.5 |
1.2 |
0.666 |
0 |
0 |
0 |
0.000 |
| 37 |
42 |
|
D |
5 |
2 |
5922 |
◊ |
[SO4]A:1116 |
-x,y-1/2,-z+1 |
2_546 |
4 |
1 |
186 |
35.2 |
-2.9 |
0.986 |
1 |
0 |
0 |
0.000 |
| 38 |
43 |
|
D |
4 |
1 |
5922 |
◊ |
[SO4]B:1116 |
-x,y-1/2,-z+1 |
2_546 |
4 |
1 |
185 |
31.0 |
-3.7 |
0.891 |
1 |
0 |
0 |
0.000 |
| 39 |
44 |
|
[CA]D:1116 |
1 |
1 |
85 |
f |
D |
x,y,z |
1_555 |
7 |
4 |
5922 |
28.4 |
-7.6 |
0.000 |
0 |
0 |
0 |
0.125 |
45 |
|
[CA]C:1115 |
1 |
1 |
85 |
f |
C |
x,y,z |
1_555 |
8 |
5 |
5861 |
28.4 |
-7.8 |
0.000 |
0 |
0 |
0 |
0.125 |
| Average: |
28.4 |
-7.7 |
0.000 |
0 |
0 |
0 |
0.125 |
| 40 |
46 |
|
A |
4 |
2 |
6067 |
◊ |
[SO4]B:1116 |
-x,y-1/2,-z+1 |
2_546 |
3 |
1 |
185 |
26.0 |
-2.9 |
0.786 |
0 |
0 |
0 |
0.000 |
| 41 |
47 |
|
[CA]C:1116 |
1 |
1 |
85 |
f |
C |
x,y,z |
1_555 |
7 |
6 |
5861 |
25.9 |
-5.9 |
0.000 |
0 |
0 |
0 |
0.095 |
48 |
|
[CA]D:1115 |
1 |
1 |
85 |
f |
D |
x,y,z |
1_555 |
6 |
6 |
5922 |
25.5 |
-5.9 |
0.000 |
0 |
0 |
0 |
0.095 |
| Average: |
25.7 |
-5.9 |
0.000 |
0 |
0 |
0 |
0.095 |
| 42 |
49 |
|
[MFU]D:1117 |
4 |
1 |
316 |
f |
[CA]D:1116 |
x,y,z |
1_555 |
1 |
1 |
85 |
25.3 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.059 |
50 |
|
[MFU]C:1117 |
4 |
1 |
322 |
f |
[CA]C:1115 |
x,y,z |
1_555 |
1 |
1 |
85 |
24.9 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.059 |
| Average: |
25.1 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.059 |
| 43 |
51 |
|
[MFU]D:1117 |
3 |
1 |
316 |
f |
[CA]D:1115 |
x,y,z |
1_555 |
1 |
1 |
85 |
23.3 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.057 |
52 |
|
[MFU]C:1117 |
4 |
1 |
322 |
f |
[CA]C:1116 |
x,y,z |
1_555 |
1 |
1 |
85 |
23.1 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.057 |
| Average: |
23.2 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.057 |
| 44 |
53 |
|
[GOL]A:555 |
4 |
1 |
219 |
f |
B |
x,y,z |
1_555 |
2 |
2 |
5998 |
23.1 |
0.3 |
0.754 |
0 |
0 |
0 |
0.000 |
| 45 |
54 |
|
[CA]D:1115 |
1 |
1 |
85 |
◊ |
C |
x,y,z |
1_555 |
3 |
1 |
5861 |
17.4 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.034 |
55 |
|
[CA]C:1116 |
1 |
1 |
85 |
◊ |
D |
x,y,z |
1_555 |
3 |
1 |
5922 |
16.2 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.034 |
| Average: |
16.8 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.034 |
| 46 |
56 |
|
[SO4]B:1116 |
4 |
1 |
185 |
f |
[GOL]A:555 |
x,y,z |
1_555 |
3 |
1 |
219 |
16.5 |
-1.8 |
0.707 |
1 |
0 |
0 |
0.032 |
| 47 |
57 |
|
[SO4]C:1119 |
1 |
1 |
185 |
◊ |
B |
-x-1,y-1/2,-z |
2_445 |
3 |
1 |
5998 |
8.3 |
-0.9 |
0.728 |
0 |
0 |
0 |
0.005 |
| 48 |
58 |
|
[SO4]B:1115 |
2 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
6067 |
7.4 |
-0.8 |
0.808 |
0 |
0 |
0 |
0.011 |
| 49 |
59 |
|
[CA]C:1116 |
1 |
1 |
85 |
f |
[CA]C:1115 |
x,y,z |
1_555 |
1 |
1 |
85 |
7.2 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.023 |
| 50 |
60 |
|
[CA]D:1116 |
1 |
1 |
85 |
f |
[CA]D:1115 |
x,y,z |
1_555 |
1 |
1 |
85 |
7.1 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.017 |
| 51 |
61 |
|
[SO4]A:1115 |
1 |
1 |
186 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
5998 |
6.1 |
-0.7 |
0.771 |
0 |
0 |
0 |
0.010 |
| 52 |
62 |
|
[MFU]D:1117 |
1 |
1 |
316 |
◊ |
D |
-x-1,y-1/2,-z+1 |
2_446 |
1 |
1 |
5922 |
5.1 |
0.1 |
0.530 |
0 |
0 |
0 |
0.000 |
| 53 |
63 |
|
C |
2 |
2 |
5861 |
x |
C |
-x-1,y-1/2,-z |
2_445 |
1 |
1 |
5861 |
4.0 |
0.0 |
0.631 |
0 |
0 |
0 |
0.000 |
| 54 |
64 |
|
B |
1 |
1 |
5998 |
◊ |
[GOL]A:555 |
-x,y-1/2,-z+1 |
2_546 |
2 |
1 |
219 |
3.5 |
-0.1 |
0.469 |
0 |
0 |
0 |
0.000 |
| 55 |
65 |
|
[MFU]D:1117 |
1 |
1 |
316 |
◊ |
A |
-x,y-1/2,-z+1 |
2_546 |
1 |
1 |
6067 |
2.3 |
-0.0 |
0.475 |
0 |
0 |
0 |
0.000 |
| 56 |
66 |
|
[MFU]D:1117 |
1 |
1 |
316 |
◊ |
B |
-x-1,y-1/2,-z |
2_445 |
1 |
1 |
5998 |
0.8 |
0.0 |
0.412 |
0 |
0 |
0 |
0.000 |
|