## |
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 |
185 |
55 |
15429 |
◊ |
A |
x,y,z |
1_555 |
180 |
54 |
15392 |
1881.1 |
-22.9 |
0.057 |
27 |
20 |
0 |
0.294 |
2 |
|
R |
178 |
54 |
15316 |
◊ |
Q |
x,y,z |
1_555 |
188 |
55 |
15254 |
1870.4 |
-21.9 |
0.063 |
30 |
21 |
0 |
0.294 |
3 |
|
P |
180 |
55 |
15264 |
◊ |
O |
x,y,z |
1_555 |
181 |
54 |
15315 |
1864.1 |
-22.4 |
0.053 |
34 |
22 |
0 |
0.294 |
Average: |
1871.9 |
-22.4 |
0.057 |
30 |
21 |
0 |
0.294 |
2 |
4 |
|
R |
121 |
36 |
15316 |
◊ |
O |
x,y,z |
1_555 |
123 |
36 |
15315 |
1337.1 |
-21.4 |
0.013 |
16 |
1 |
0 |
0.233 |
5 |
|
Q |
128 |
36 |
15254 |
◊ |
P |
x,y,z |
1_555 |
129 |
35 |
15264 |
1334.1 |
-22.9 |
0.009 |
14 |
1 |
0 |
0.233 |
6 |
|
B |
125 |
35 |
15429 |
◊ |
A |
-x,y,-z |
2_555 |
124 |
35 |
15392 |
1321.1 |
-22.7 |
0.011 |
15 |
1 |
0 |
0.233 |
Average: |
1330.8 |
-22.3 |
0.011 |
15 |
1 |
0 |
0.233 |
3 |
7 |
|
B |
72 |
20 |
15429 |
◊ |
O |
x-1/2,y-1/2,z |
3_445 |
82 |
22 |
15315 |
788.7 |
-3.3 |
0.515 |
5 |
7 |
0 |
0.000 |
4 |
8 |
|
Q |
87 |
22 |
15254 |
◊ |
Q |
-x+2,y,-z+1 |
2_756 |
87 |
22 |
15254 |
779.9 |
-5.9 |
0.377 |
6 |
4 |
0 |
0.000 |
5 |
9 |
|
A |
83 |
23 |
15392 |
◊ |
B |
x-1/2,y-1/2,z |
3_445 |
79 |
22 |
15429 |
753.7 |
-1.7 |
0.639 |
5 |
1 |
0 |
0.000 |
10 |
|
O |
72 |
19 |
15315 |
◊ |
P |
x-1/2,y-1/2,z |
3_445 |
80 |
22 |
15264 |
704.2 |
-3.8 |
0.462 |
4 |
0 |
0 |
0.000 |
Average: |
728.9 |
-2.8 |
0.550 |
5 |
1 |
0 |
0.000 |
6 |
11 |
|
[NAP]P:4341 |
42 |
1 |
884 |
f |
P |
x,y,z |
1_555 |
82 |
32 |
15264 |
582.3 |
-4.0 |
0.442 |
12 |
0 |
0 |
0.144 |
12 |
|
[NAP]Q:5341 |
43 |
1 |
877 |
f |
Q |
x,y,z |
1_555 |
81 |
32 |
15254 |
580.4 |
-4.2 |
0.426 |
11 |
0 |
0 |
0.144 |
13 |
|
[NAP]R:6341 |
43 |
1 |
896 |
f |
R |
x,y,z |
1_555 |
77 |
29 |
15316 |
579.4 |
-3.7 |
0.436 |
11 |
0 |
0 |
0.144 |
14 |
|
[NAP]O:3341 |
42 |
1 |
882 |
f |
O |
x,y,z |
1_555 |
82 |
31 |
15315 |
576.8 |
-4.9 |
0.384 |
9 |
0 |
0 |
0.144 |
15 |
|
[NAP]B:2341 |
42 |
1 |
882 |
f |
B |
x,y,z |
1_555 |
78 |
31 |
15429 |
572.6 |
-4.1 |
0.419 |
12 |
0 |
0 |
0.144 |
16 |
|
[NAP]A:1341 |
43 |
1 |
883 |
f |
A |
x,y,z |
1_555 |
81 |
31 |
15392 |
568.9 |
-3.7 |
0.440 |
11 |
0 |
0 |
0.144 |
Average: |
576.7 |
-4.1 |
0.425 |
11 |
0 |
0 |
0.144 |
7 |
17 |
|
A |
58 |
17 |
15392 |
◊ |
A |
-x,y,-z |
2_555 |
58 |
17 |
15392 |
505.3 |
0.8 |
0.763 |
4 |
0 |
0 |
0.009 |
18 |
|
R |
60 |
17 |
15316 |
◊ |
P |
x,y,z |
1_555 |
58 |
17 |
15264 |
504.5 |
0.0 |
0.705 |
3 |
0 |
0 |
0.009 |
19 |
|
B |
57 |
17 |
15429 |
◊ |
B |
-x,y,-z |
2_555 |
56 |
17 |
15429 |
494.8 |
0.3 |
0.731 |
2 |
0 |
0 |
0.009 |
20 |
|
Q |
55 |
16 |
15254 |
◊ |
O |
x,y,z |
1_555 |
57 |
17 |
15315 |
477.3 |
-0.7 |
0.644 |
2 |
0 |
0 |
0.009 |
Average: |
495.5 |
0.1 |
0.711 |
3 |
0 |
0 |
0.009 |
8 |
21 |
|
A |
56 |
15 |
15392 |
◊ |
P |
x-1,y-1,z |
1_445 |
63 |
15 |
15264 |
493.4 |
5.4 |
0.938 |
6 |
2 |
0 |
0.000 |
9 |
22 |
|
R |
44 |
14 |
15316 |
◊ |
O |
x,y-1,z |
1_545 |
40 |
13 |
15315 |
381.0 |
-4.4 |
0.279 |
1 |
0 |
0 |
0.000 |
10 |
23 |
|
A |
26 |
8 |
15392 |
◊ |
O |
x-1/2,y-1/2,z |
3_445 |
26 |
9 |
15315 |
235.4 |
-1.7 |
0.435 |
2 |
0 |
0 |
0.000 |
24 |
|
B |
31 |
12 |
15429 |
◊ |
P |
x-1/2,y-1/2,z |
3_445 |
29 |
9 |
15264 |
201.6 |
-1.7 |
0.462 |
1 |
0 |
0 |
0.000 |
Average: |
218.5 |
-1.7 |
0.449 |
2 |
0 |
0 |
0.000 |
11 |
25 |
|
R |
23 |
8 |
15316 |
◊ |
P |
x,y-1,z |
1_545 |
17 |
6 |
15264 |
219.4 |
-0.1 |
0.423 |
1 |
2 |
0 |
0.000 |
12 |
26 |
|
B |
15 |
6 |
15429 |
◊ |
R |
x-1,y,z |
1_455 |
20 |
7 |
15316 |
128.5 |
-0.5 |
0.491 |
0 |
0 |
0 |
0.000 |
13 |
27 |
|
[SO4]B:2339 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
21 |
12 |
15429 |
111.6 |
-15.7 |
0.781 |
5 |
0 |
0 |
0.141 |
14 |
28 |
|
[SO4]P:4339 |
5 |
1 |
185 |
f |
P |
x,y,z |
1_555 |
22 |
13 |
15264 |
111.5 |
-16.0 |
0.769 |
5 |
0 |
0 |
0.142 |
15 |
29 |
|
[SO4]R:6339 |
5 |
1 |
186 |
f |
R |
x,y,z |
1_555 |
22 |
13 |
15316 |
110.7 |
-15.6 |
0.760 |
6 |
0 |
0 |
0.143 |
16 |
30 |
|
[SO4]O:3339 |
5 |
1 |
186 |
f |
O |
x,y,z |
1_555 |
23 |
13 |
15315 |
110.0 |
-16.2 |
0.753 |
5 |
0 |
0 |
0.144 |
17 |
31 |
|
[SO4]A:1339 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
21 |
12 |
15392 |
105.8 |
-14.9 |
0.750 |
4 |
0 |
0 |
0.132 |
18 |
32 |
|
[SO4]Q:5339 |
5 |
1 |
186 |
f |
Q |
x,y,z |
1_555 |
21 |
12 |
15254 |
105.7 |
-15.4 |
0.757 |
6 |
0 |
0 |
0.141 |
19 |
33 |
|
O |
9 |
4 |
15315 |
◊ |
R |
x-1/2,y+1/2,z |
3_455 |
8 |
4 |
15316 |
98.3 |
0.1 |
0.400 |
2 |
0 |
0 |
0.000 |
20 |
34 |
|
[SO4]R:6340 |
5 |
1 |
185 |
f |
R |
x,y,z |
1_555 |
11 |
6 |
15316 |
80.0 |
-11.9 |
0.727 |
3 |
0 |
0 |
0.104 |
21 |
35 |
|
[SO4]A:1340 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
11 |
6 |
15392 |
77.0 |
-11.0 |
0.786 |
3 |
0 |
0 |
0.097 |
22 |
36 |
|
[SO4]Q:5340 |
5 |
1 |
186 |
f |
Q |
x,y,z |
1_555 |
10 |
5 |
15254 |
75.8 |
-11.2 |
0.766 |
3 |
0 |
0 |
0.098 |
23 |
37 |
|
[SO4]P:4340 |
5 |
1 |
187 |
f |
P |
x,y,z |
1_555 |
11 |
6 |
15264 |
75.8 |
-11.3 |
0.762 |
3 |
0 |
0 |
0.099 |
24 |
38 |
|
[SO4]O:3340 |
5 |
1 |
185 |
f |
O |
x,y,z |
1_555 |
12 |
6 |
15315 |
73.8 |
-10.6 |
0.790 |
3 |
0 |
0 |
0.093 |
25 |
39 |
|
[SO4]B:2340 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
12 |
6 |
15429 |
72.7 |
-10.9 |
0.783 |
3 |
0 |
0 |
0.096 |
26 |
40 |
|
[NAP]Q:5341 |
10 |
1 |
877 |
◊ |
P |
x,y,z |
1_555 |
9 |
5 |
15264 |
65.4 |
-0.6 |
0.524 |
1 |
0 |
0 |
0.014 |
41 |
|
[NAP]B:2341 |
8 |
1 |
882 |
◊ |
A |
-x,y,-z |
2_555 |
8 |
4 |
15392 |
60.1 |
-0.1 |
0.570 |
1 |
0 |
0 |
0.014 |
42 |
|
[NAP]P:4341 |
10 |
1 |
884 |
◊ |
Q |
x,y,z |
1_555 |
9 |
5 |
15254 |
58.8 |
-0.4 |
0.541 |
1 |
0 |
0 |
0.014 |
43 |
|
[NAP]O:3341 |
10 |
1 |
882 |
◊ |
R |
x,y,z |
1_555 |
5 |
4 |
15316 |
53.1 |
-0.2 |
0.571 |
1 |
0 |
0 |
0.014 |
44 |
|
[NAP]A:1341 |
9 |
1 |
883 |
◊ |
B |
-x,y,-z |
2_555 |
5 |
4 |
15429 |
51.7 |
-0.2 |
0.565 |
1 |
0 |
0 |
0.014 |
45 |
|
[NAP]R:6341 |
8 |
1 |
896 |
◊ |
O |
x,y,z |
1_555 |
5 |
4 |
15315 |
44.1 |
-0.2 |
0.559 |
1 |
0 |
0 |
0.014 |
Average: |
55.5 |
-0.3 |
0.555 |
1 |
0 |
0 |
0.014 |
27 |
46 |
|
[NAP]P:4341 |
12 |
1 |
884 |
f |
[SO4]P:4340 |
x,y,z |
1_555 |
4 |
1 |
187 |
53.1 |
-7.9 |
0.600 |
1 |
0 |
0 |
0.065 |
28 |
47 |
|
[NAP]Q:5341 |
13 |
1 |
877 |
f |
[SO4]Q:5340 |
x,y,z |
1_555 |
4 |
1 |
186 |
52.4 |
-7.8 |
0.612 |
0 |
0 |
0 |
0.060 |
29 |
48 |
|
[NAP]B:2341 |
11 |
1 |
882 |
f |
[SO4]B:2340 |
x,y,z |
1_555 |
4 |
1 |
185 |
52.4 |
-7.6 |
0.562 |
0 |
0 |
0 |
0.060 |
30 |
49 |
|
[NAP]R:6341 |
12 |
1 |
896 |
f |
[SO4]R:6340 |
x,y,z |
1_555 |
4 |
1 |
185 |
51.9 |
-7.8 |
0.560 |
0 |
0 |
0 |
0.061 |
31 |
50 |
|
[NAP]O:3341 |
11 |
1 |
882 |
f |
[SO4]O:3340 |
x,y,z |
1_555 |
4 |
1 |
185 |
51.8 |
-7.8 |
0.584 |
0 |
0 |
0 |
0.061 |
32 |
51 |
|
[NAP]A:1341 |
13 |
1 |
883 |
f |
[SO4]A:1340 |
x,y,z |
1_555 |
4 |
1 |
185 |
49.9 |
-7.4 |
0.602 |
0 |
0 |
0 |
0.058 |
33 |
52 |
|
A |
3 |
2 |
15392 |
◊ |
R |
x-1,y,z |
1_455 |
3 |
1 |
15316 |
20.5 |
-0.1 |
0.544 |
0 |
0 |
0 |
0.000 |
34 |
53 |
|
[SO4]B:2340 |
1 |
1 |
185 |
f |
[SO4]B:2339 |
x,y,z |
1_555 |
1 |
1 |
185 |
8.8 |
-2.1 |
0.800 |
0 |
0 |
0 |
0.017 |
35 |
54 |
|
[SO4]A:1340 |
1 |
1 |
185 |
f |
[SO4]A:1339 |
x,y,z |
1_555 |
1 |
1 |
185 |
7.7 |
-1.9 |
0.800 |
0 |
0 |
0 |
0.015 |
36 |
55 |
|
[SO4]O:3340 |
2 |
1 |
185 |
f |
[SO4]O:3339 |
x,y,z |
1_555 |
1 |
1 |
186 |
6.9 |
-1.7 |
0.876 |
0 |
0 |
0 |
0.013 |
37 |
56 |
|
[SO4]R:6340 |
3 |
1 |
185 |
f |
[SO4]R:6339 |
x,y,z |
1_555 |
1 |
1 |
186 |
5.7 |
-1.2 |
0.894 |
0 |
0 |
0 |
0.010 |
38 |
57 |
|
[SO4]P:4340 |
2 |
1 |
187 |
f |
[SO4]P:4339 |
x,y,z |
1_555 |
1 |
1 |
185 |
3.2 |
-0.7 |
1.000 |
0 |
0 |
0 |
0.006 |
39 |
58 |
|
[SO4]Q:5340 |
1 |
1 |
186 |
f |
[SO4]Q:5339 |
x,y,z |
1_555 |
1 |
1 |
186 |
1.8 |
-0.4 |
1.000 |
0 |
0 |
0 |
0.003 |
|