## |
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 |
|
C |
113 |
29 |
6559 |
◊ |
A |
x,y,z |
1_555 |
123 |
32 |
6650 |
1058.8 |
-11.5 |
0.378 |
14 |
0 |
0 |
0.331 |
2 |
|
C |
124 |
33 |
6559 |
◊ |
B |
x,y,z |
1_555 |
116 |
29 |
6539 |
1032.4 |
-12.6 |
0.385 |
13 |
0 |
0 |
0.331 |
3 |
|
B |
119 |
32 |
6539 |
◊ |
A |
x,y,z |
1_555 |
114 |
29 |
6650 |
1030.1 |
-13.1 |
0.276 |
13 |
0 |
0 |
0.331 |
Average: |
1040.4 |
-12.4 |
0.346 |
13 |
0 |
0 |
0.331 |
2 |
4 |
|
B |
50 |
14 |
6539 |
◊ |
A |
x-1/2,-y-1/2,-z |
4_445 |
40 |
15 |
6650 |
354.9 |
-2.8 |
0.583 |
3 |
0 |
0 |
0.060 |
5 |
|
B |
41 |
15 |
6539 |
◊ |
C |
-x-1,y-1/2,-z+1/2 |
3_445 |
49 |
14 |
6559 |
347.8 |
-2.7 |
0.604 |
2 |
0 |
0 |
0.060 |
Average: |
351.3 |
-2.7 |
0.593 |
3 |
0 |
0 |
0.060 |
3 |
6 |
|
[EWG]B:204 |
14 |
1 |
349 |
f |
B |
x,y,z |
1_555 |
35 |
10 |
6539 |
179.9 |
-2.3 |
0.444 |
4 |
0 |
0 |
0.055 |
7 |
|
[EWG]C:204 |
14 |
1 |
350 |
f |
C |
x,y,z |
1_555 |
31 |
10 |
6559 |
174.8 |
-1.3 |
0.500 |
4 |
0 |
0 |
0.055 |
Average: |
177.3 |
-1.8 |
0.472 |
4 |
0 |
0 |
0.055 |
4 |
8 |
|
A |
21 |
7 |
6650 |
◊ |
B |
-x-1/2,-y,z-1/2 |
2_454 |
20 |
8 |
6539 |
164.9 |
-0.2 |
0.700 |
2 |
0 |
0 |
0.000 |
5 |
9 |
|
A |
13 |
5 |
6650 |
◊ |
C |
-x-1,y-1/2,-z+1/2 |
3_445 |
15 |
7 |
6559 |
136.1 |
-0.4 |
0.650 |
1 |
0 |
0 |
0.000 |
10 |
|
B |
15 |
7 |
6539 |
◊ |
C |
x-1/2,-y-1/2,-z |
4_445 |
14 |
5 |
6559 |
134.2 |
-0.0 |
0.730 |
2 |
0 |
0 |
0.000 |
Average: |
135.1 |
-0.2 |
0.690 |
2 |
0 |
0 |
0.000 |
6 |
11 |
|
[GOL]B:201 |
6 |
1 |
216 |
f |
B |
x,y,z |
1_555 |
18 |
7 |
6539 |
108.6 |
-0.6 |
0.622 |
3 |
0 |
0 |
0.015 |
7 |
12 |
|
[GOL]A:203 |
6 |
1 |
221 |
f |
A |
x,y,z |
1_555 |
24 |
7 |
6650 |
107.2 |
-0.9 |
0.517 |
4 |
0 |
0 |
0.020 |
8 |
13 |
|
[GOL]A:202 |
6 |
1 |
222 |
f |
A |
x,y,z |
1_555 |
26 |
11 |
6650 |
104.4 |
-1.0 |
0.491 |
3 |
0 |
0 |
0.018 |
9 |
14 |
|
[SO4]C:203 |
5 |
1 |
187 |
f |
C |
x,y,z |
1_555 |
15 |
7 |
6559 |
93.3 |
-14.5 |
0.785 |
5 |
0 |
0 |
0.129 |
10 |
15 |
|
[GOL]C:207 |
5 |
1 |
219 |
f |
C |
x,y,z |
1_555 |
15 |
4 |
6559 |
87.7 |
-1.0 |
0.469 |
0 |
0 |
0 |
0.008 |
11 |
16 |
|
[GOL]B:205 |
6 |
1 |
220 |
◊ |
A |
x-1/2,-y-1/2,-z |
4_445 |
16 |
6 |
6650 |
87.6 |
-0.3 |
0.616 |
2 |
0 |
0 |
0.021 |
17 |
|
B |
18 |
6 |
6539 |
◊ |
[GOL]C:205 |
-x-1,y-1/2,-z+1/2 |
3_445 |
6 |
1 |
220 |
77.6 |
-0.3 |
0.651 |
3 |
0 |
0 |
0.021 |
Average: |
82.6 |
-0.3 |
0.633 |
3 |
0 |
0 |
0.021 |
12 |
18 |
|
B |
14 |
6 |
6539 |
◊ |
[GOL]C:206 |
-x-1,y-1/2,-z+1/2 |
3_445 |
5 |
1 |
220 |
87.0 |
0.3 |
0.644 |
2 |
0 |
0 |
0.004 |
13 |
19 |
|
[SO4]A:201 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
12 |
6 |
6650 |
80.8 |
-12.0 |
0.755 |
3 |
0 |
0 |
0.103 |
14 |
20 |
|
[SO4]B:202 |
5 |
1 |
187 |
f |
B |
x,y,z |
1_555 |
10 |
5 |
6539 |
79.9 |
-11.8 |
0.784 |
6 |
0 |
0 |
0.111 |
15 |
21 |
|
[SO4]C:202 |
5 |
1 |
187 |
f |
C |
x,y,z |
1_555 |
11 |
5 |
6559 |
79.9 |
-11.8 |
0.791 |
6 |
0 |
0 |
0.112 |
16 |
22 |
|
[GOL]B:205 |
5 |
1 |
220 |
f |
B |
x,y,z |
1_555 |
16 |
6 |
6539 |
76.2 |
-0.6 |
0.554 |
1 |
0 |
0 |
0.017 |
23 |
|
[GOL]C:205 |
5 |
1 |
220 |
f |
C |
x,y,z |
1_555 |
17 |
6 |
6559 |
68.7 |
-0.2 |
0.649 |
2 |
0 |
0 |
0.017 |
Average: |
72.5 |
-0.4 |
0.601 |
2 |
0 |
0 |
0.017 |
17 |
24 |
|
[GOL]A:204 |
6 |
1 |
220 |
f |
A |
x,y,z |
1_555 |
11 |
5 |
6650 |
74.2 |
-0.1 |
0.616 |
1 |
0 |
0 |
0.004 |
18 |
25 |
|
[EWG]B:204 |
5 |
1 |
349 |
◊ |
A |
x,y,z |
1_555 |
11 |
2 |
6650 |
69.4 |
0.0 |
0.592 |
1 |
0 |
0 |
0.005 |
26 |
|
[EWG]C:204 |
5 |
1 |
350 |
◊ |
B |
x,y,z |
1_555 |
11 |
2 |
6539 |
67.8 |
0.0 |
0.618 |
1 |
0 |
0 |
0.005 |
Average: |
68.6 |
0.0 |
0.605 |
1 |
0 |
0 |
0.005 |
19 |
27 |
|
[GOL]A:204 |
6 |
1 |
220 |
◊ |
B |
-x-1/2,-y,z-1/2 |
2_454 |
11 |
5 |
6539 |
68.8 |
0.0 |
0.614 |
1 |
0 |
0 |
0.000 |
20 |
28 |
|
[SO4]B:203 |
4 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
10 |
6 |
6539 |
62.3 |
-8.4 |
0.783 |
1 |
0 |
0 |
0.068 |
21 |
29 |
|
[SO4]C:201 |
4 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
9 |
5 |
6559 |
61.1 |
-8.7 |
0.691 |
1 |
0 |
0 |
0.071 |
22 |
30 |
|
[GOL]A:205 |
6 |
1 |
217 |
f |
C |
x-1/2,-y-1/2,-z |
4_445 |
7 |
5 |
6559 |
59.9 |
-0.5 |
0.519 |
1 |
0 |
0 |
0.007 |
23 |
31 |
|
B |
9 |
3 |
6539 |
◊ |
[GOL]C:207 |
-x-1,y-1/2,-z+1/2 |
3_445 |
5 |
1 |
219 |
52.7 |
-0.1 |
0.579 |
1 |
0 |
0 |
0.004 |
24 |
32 |
|
[GOL]A:202 |
5 |
1 |
222 |
◊ |
C |
x,y,z |
1_555 |
11 |
2 |
6559 |
52.1 |
0.0 |
0.587 |
2 |
0 |
0 |
0.005 |
25 |
33 |
|
A |
7 |
3 |
6650 |
◊ |
C |
-x-1/2,-y,z-1/2 |
2_454 |
3 |
2 |
6559 |
50.6 |
0.2 |
0.613 |
0 |
0 |
0 |
0.000 |
26 |
34 |
|
[GOL]C:206 |
3 |
1 |
220 |
f |
C |
x,y,z |
1_555 |
11 |
5 |
6559 |
48.7 |
0.0 |
0.605 |
0 |
0 |
0 |
0.000 |
27 |
35 |
|
[GOL]C:207 |
4 |
1 |
219 |
◊ |
B |
x,y,z |
1_555 |
8 |
4 |
6539 |
47.2 |
-0.2 |
0.564 |
1 |
0 |
0 |
0.004 |
28 |
36 |
|
[SO4]B:203 |
4 |
1 |
186 |
◊ |
A |
x-1/2,-y-1/2,-z |
4_445 |
6 |
2 |
6650 |
44.2 |
-4.2 |
0.954 |
2 |
0 |
0 |
0.039 |
29 |
37 |
|
[GOL]B:201 |
4 |
1 |
216 |
◊ |
C |
-x-1,y-1/2,-z+1/2 |
3_445 |
5 |
2 |
6559 |
43.3 |
0.5 |
0.756 |
1 |
0 |
0 |
0.000 |
30 |
38 |
|
[GOL]A:205 |
4 |
1 |
217 |
◊ |
B |
x,y,z |
1_555 |
5 |
2 |
6539 |
42.0 |
-0.8 |
0.420 |
0 |
0 |
0 |
0.000 |
31 |
39 |
|
[GOL]B:201 |
5 |
1 |
216 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
6650 |
41.6 |
-1.2 |
0.217 |
0 |
0 |
0 |
0.007 |
32 |
40 |
|
B |
4 |
3 |
6539 |
◊ |
[SO4]C:201 |
-x-1,y-1/2,-z+1/2 |
3_445 |
4 |
1 |
186 |
39.9 |
-3.4 |
0.975 |
2 |
0 |
0 |
0.033 |
33 |
41 |
|
[GOL]A:205 |
3 |
1 |
217 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
6650 |
39.2 |
-0.1 |
0.555 |
1 |
0 |
0 |
0.000 |
34 |
42 |
|
[GOL]A:205 |
2 |
1 |
217 |
◊ |
A |
x-1/2,-y-1/2,-z |
4_445 |
4 |
1 |
6650 |
33.6 |
-0.5 |
0.421 |
0 |
0 |
0 |
0.003 |
35 |
43 |
|
[GOL]A:203 |
4 |
1 |
221 |
f |
[GOL]A:202 |
x,y,z |
1_555 |
3 |
1 |
222 |
31.7 |
0.3 |
0.568 |
2 |
0 |
0 |
0.005 |
36 |
44 |
|
[GOL]C:206 |
5 |
1 |
220 |
f |
[GOL]C:205 |
x,y,z |
1_555 |
2 |
1 |
220 |
30.4 |
0.1 |
0.605 |
1 |
0 |
0 |
0.003 |
37 |
45 |
|
[GOL]A:203 |
2 |
1 |
221 |
◊ |
B |
-x-1/2,-y,z-1/2 |
2_454 |
4 |
1 |
6539 |
28.9 |
0.0 |
0.617 |
1 |
0 |
0 |
0.000 |
38 |
46 |
|
[EWG]B:204 |
5 |
1 |
349 |
f |
[GOL]B:205 |
x,y,z |
1_555 |
3 |
1 |
220 |
28.6 |
0.4 |
0.565 |
2 |
0 |
0 |
0.018 |
47 |
|
[EWG]C:204 |
5 |
1 |
350 |
f |
[GOL]C:205 |
x,y,z |
1_555 |
3 |
1 |
220 |
27.4 |
-1.0 |
0.359 |
2 |
0 |
0 |
0.018 |
Average: |
28.0 |
-0.3 |
0.462 |
2 |
0 |
0 |
0.018 |
39 |
48 |
|
[GOL]C:206 |
2 |
1 |
220 |
f |
[SO4]C:201 |
x,y,z |
1_555 |
1 |
1 |
186 |
27.2 |
-3.9 |
0.447 |
0 |
0 |
0 |
0.030 |
40 |
49 |
|
B |
3 |
2 |
6539 |
◊ |
[EWG]C:204 |
-x-1,y-1/2,-z+1/2 |
3_445 |
3 |
1 |
350 |
26.7 |
-0.7 |
0.372 |
1 |
0 |
0 |
0.010 |
50 |
|
[EWG]B:204 |
3 |
1 |
349 |
◊ |
A |
x-1/2,-y-1/2,-z |
4_445 |
3 |
2 |
6650 |
25.2 |
0.4 |
0.710 |
1 |
0 |
0 |
0.010 |
Average: |
26.0 |
-0.2 |
0.541 |
1 |
0 |
0 |
0.010 |
41 |
51 |
|
[GOL]A:203 |
2 |
1 |
221 |
◊ |
C |
x,y,z |
1_555 |
4 |
1 |
6559 |
23.9 |
0.0 |
0.613 |
1 |
0 |
0 |
0.002 |
42 |
52 |
|
[GOL]A:204 |
2 |
1 |
220 |
◊ |
[SO4]C:203 |
-x-1/2,-y,z-1/2 |
2_454 |
4 |
1 |
187 |
23.8 |
-2.3 |
0.833 |
1 |
0 |
0 |
0.022 |
43 |
53 |
|
A |
3 |
2 |
6650 |
◊ |
[GOL]C:207 |
-x-1,y-1/2,-z+1/2 |
3_445 |
2 |
1 |
219 |
20.0 |
0.2 |
0.663 |
1 |
0 |
0 |
0.000 |
44 |
54 |
|
[SO4]C:203 |
3 |
1 |
187 |
◊ |
B |
x,y,z |
1_555 |
3 |
3 |
6539 |
17.5 |
-2.2 |
0.705 |
0 |
0 |
0 |
0.013 |
45 |
55 |
|
[GOL]A:204 |
1 |
1 |
220 |
◊ |
C |
-x-1/2,-y,z-1/2 |
2_454 |
3 |
2 |
6559 |
11.1 |
0.2 |
0.585 |
0 |
0 |
0 |
0.000 |
46 |
56 |
|
[GOL]A:204 |
3 |
1 |
220 |
f |
[GOL]A:203 |
x,y,z |
1_555 |
1 |
1 |
221 |
9.3 |
0.2 |
0.500 |
0 |
0 |
0 |
0.000 |
47 |
57 |
|
[GOL]B:205 |
1 |
1 |
220 |
f |
[SO4]B:203 |
x,y,z |
1_555 |
1 |
1 |
186 |
9.2 |
-1.1 |
0.632 |
0 |
0 |
0 |
0.009 |
48 |
58 |
|
[GOL]C:205 |
1 |
1 |
220 |
f |
[SO4]C:201 |
x,y,z |
1_555 |
1 |
1 |
186 |
4.9 |
-0.7 |
0.632 |
0 |
0 |
0 |
0.005 |
49 |
59 |
|
A |
1 |
1 |
6650 |
◊ |
[SO4]C:203 |
-x-1/2,-y,z-1/2 |
2_454 |
1 |
1 |
187 |
3.6 |
-0.5 |
0.623 |
0 |
0 |
0 |
0.004 |
|