## |
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 |
|
H |
100 |
37 |
12966 |
◊ |
G |
x,y,z |
1_555 |
115 |
31 |
9622 |
1036.9 |
-1.0 |
0.512 |
17 |
6 |
0 |
0.000 |
2 |
|
D |
98 |
34 |
12985 |
◊ |
C |
x,y,z |
1_555 |
111 |
28 |
9943 |
1008.6 |
-0.8 |
0.585 |
18 |
2 |
0 |
0.000 |
3 |
|
F |
90 |
35 |
12937 |
◊ |
E |
x,y,z |
1_555 |
110 |
32 |
9553 |
994.4 |
-2.3 |
0.480 |
12 |
4 |
0 |
0.000 |
4 |
|
B |
93 |
35 |
13088 |
◊ |
A |
x,y,z |
1_555 |
103 |
27 |
9736 |
910.4 |
-3.3 |
0.407 |
14 |
5 |
0 |
0.000 |
Average: |
987.5 |
-1.8 |
0.496 |
15 |
4 |
0 |
0.000 |
2 |
5 |
|
B |
76 |
18 |
13088 |
◊ |
E |
x,y,z |
1_555 |
72 |
20 |
9553 |
703.9 |
0.5 |
0.520 |
8 |
2 |
0 |
0.062 |
6 |
|
H |
83 |
19 |
12966 |
◊ |
C |
x,y,z |
1_555 |
73 |
19 |
9943 |
691.2 |
0.3 |
0.577 |
6 |
1 |
0 |
0.062 |
7 |
|
F |
73 |
17 |
12937 |
◊ |
A |
x-1,y,z |
1_455 |
73 |
18 |
9736 |
687.8 |
-0.2 |
0.548 |
6 |
1 |
0 |
0.062 |
8 |
|
G |
71 |
19 |
9622 |
◊ |
D |
x-1,y,z |
1_455 |
72 |
17 |
12985 |
662.0 |
-0.7 |
0.561 |
5 |
0 |
0 |
0.062 |
Average: |
686.2 |
-0.0 |
0.552 |
6 |
1 |
0 |
0.062 |
3 |
9 |
|
B |
51 |
20 |
13088 |
◊ |
C |
x,y,z |
1_555 |
56 |
14 |
9943 |
457.5 |
-0.2 |
0.498 |
4 |
0 |
0 |
0.079 |
10 |
|
F |
46 |
17 |
12937 |
◊ |
G |
x,y-1,z |
1_545 |
49 |
13 |
9622 |
422.5 |
-1.6 |
0.401 |
3 |
3 |
0 |
0.079 |
11 |
|
A |
52 |
15 |
9736 |
◊ |
D |
x,y-1,z |
1_545 |
43 |
19 |
12985 |
414.3 |
-2.5 |
0.280 |
3 |
2 |
0 |
0.079 |
12 |
|
H |
46 |
17 |
12966 |
◊ |
E |
x,y,z |
1_555 |
48 |
13 |
9553 |
391.9 |
-2.0 |
0.405 |
2 |
0 |
0 |
0.079 |
Average: |
421.5 |
-1.6 |
0.396 |
3 |
1 |
0 |
0.079 |
4 |
13 |
|
F |
27 |
11 |
12937 |
◊ |
H |
-x+1,y-1/2,-z |
2_645 |
26 |
7 |
12966 |
264.3 |
-3.9 |
0.136 |
1 |
0 |
0 |
0.000 |
14 |
|
B |
18 |
9 |
13088 |
◊ |
D |
-x+2,y-1/2,-z+1 |
2_746 |
16 |
6 |
12985 |
171.1 |
-2.7 |
0.200 |
0 |
0 |
0 |
0.000 |
Average: |
217.7 |
-3.3 |
0.168 |
1 |
0 |
0 |
0.000 |
5 |
15 |
|
F |
24 |
8 |
12937 |
◊ |
H |
-x+1,y-1/2,-z+1 |
2_646 |
22 |
12 |
12966 |
193.5 |
-2.0 |
0.400 |
0 |
0 |
0 |
0.000 |
16 |
|
B |
20 |
7 |
13088 |
◊ |
D |
-x+2,y-1/2,-z |
2_745 |
22 |
11 |
12985 |
176.6 |
-2.0 |
0.365 |
0 |
0 |
0 |
0.000 |
Average: |
185.0 |
-2.0 |
0.383 |
0 |
0 |
0 |
0.000 |
6 |
17 |
|
[MES]A:2466 |
12 |
1 |
335 |
◊ |
A |
x,y,z |
1_555 |
15 |
8 |
9736 |
116.2 |
2.6 |
0.018 |
0 |
0 |
0 |
0.000 |
7 |
18 |
|
[SO4]H:1267 |
5 |
1 |
185 |
f |
H |
x,y,z |
1_555 |
17 |
8 |
12966 |
94.7 |
-14.3 |
0.709 |
3 |
0 |
0 |
0.260 |
8 |
19 |
|
[MES]A:2466 |
10 |
1 |
335 |
f |
D |
x,y-1,z |
1_545 |
15 |
7 |
12985 |
93.8 |
1.7 |
0.018 |
0 |
0 |
0 |
0.000 |
9 |
20 |
|
[SO4]H:1266 |
5 |
1 |
185 |
f |
H |
x,y,z |
1_555 |
8 |
2 |
12966 |
89.3 |
-9.6 |
0.934 |
3 |
0 |
0 |
0.181 |
10 |
21 |
|
[SO4]E:2466 |
5 |
1 |
184 |
f |
E |
x,y,z |
1_555 |
12 |
4 |
9553 |
89.2 |
-13.3 |
0.771 |
5 |
0 |
0 |
0.258 |
11 |
22 |
|
[SO4]B:1266 |
5 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
16 |
7 |
13088 |
88.1 |
-12.9 |
0.689 |
3 |
0 |
0 |
0.303 |
12 |
23 |
|
[SO4]G:2466 |
5 |
1 |
184 |
f |
G |
x,y,z |
1_555 |
9 |
4 |
9622 |
87.8 |
-12.8 |
0.826 |
5 |
0 |
0 |
0.335 |
13 |
24 |
|
F |
14 |
8 |
12937 |
f |
[SO4]G:2467 |
x,y-1,z |
1_545 |
5 |
1 |
184 |
85.7 |
-11.5 |
0.713 |
1 |
0 |
0 |
0.267 |
14 |
25 |
|
[SO4]D:1266 |
5 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
14 |
6 |
12985 |
85.5 |
-12.1 |
0.711 |
2 |
0 |
0 |
0.137 |
15 |
26 |
|
[SO4]C:2467 |
5 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
10 |
4 |
9943 |
84.4 |
-12.8 |
0.752 |
3 |
0 |
0 |
0.300 |
16 |
27 |
|
[SO4]F:1266 |
5 |
1 |
186 |
f |
A |
x-1,y,z |
1_455 |
9 |
4 |
9736 |
75.2 |
-10.0 |
0.623 |
2 |
0 |
0 |
0.115 |
17 |
28 |
|
[PEG]G:2468 |
7 |
1 |
252 |
f |
G |
x,y,z |
1_555 |
13 |
5 |
9622 |
74.9 |
2.1 |
0.261 |
0 |
0 |
0 |
0.000 |
18 |
29 |
|
A |
13 |
5 |
9736 |
◊ |
[SO4]D:1266 |
x,y-1,z |
1_545 |
5 |
1 |
185 |
67.1 |
-9.5 |
0.620 |
1 |
0 |
0 |
0.105 |
19 |
30 |
|
A |
6 |
4 |
9736 |
◊ |
D |
-x+2,y-1/2,-z |
2_745 |
8 |
5 |
12985 |
65.6 |
1.7 |
0.862 |
0 |
0 |
0 |
0.000 |
31 |
|
E |
8 |
3 |
9553 |
◊ |
H |
-x+1,y-1/2,-z+1 |
2_646 |
8 |
4 |
12966 |
31.5 |
0.5 |
0.709 |
0 |
0 |
0 |
0.000 |
Average: |
48.6 |
1.1 |
0.785 |
0 |
0 |
0 |
0.000 |
20 |
32 |
|
[SO4]H:1266 |
4 |
1 |
185 |
◊ |
C |
x,y,z |
1_555 |
7 |
4 |
9943 |
65.4 |
-7.7 |
0.839 |
1 |
0 |
0 |
0.016 |
21 |
33 |
|
[SO4]G:2467 |
5 |
1 |
184 |
◊ |
G |
x,y,z |
1_555 |
12 |
4 |
9622 |
63.6 |
-8.8 |
0.558 |
0 |
0 |
0 |
0.197 |
22 |
34 |
|
[SO4]B:1266 |
4 |
1 |
184 |
◊ |
C |
x,y,z |
1_555 |
15 |
4 |
9943 |
62.3 |
-9.2 |
0.571 |
0 |
0 |
0 |
0.196 |
23 |
35 |
|
F |
10 |
6 |
12937 |
◊ |
[SO4]G:2466 |
x,y-1,z |
1_545 |
5 |
1 |
184 |
57.0 |
-7.7 |
0.719 |
0 |
0 |
0 |
0.172 |
24 |
36 |
|
[SO4]H:1267 |
4 |
1 |
185 |
◊ |
E |
x,y,z |
1_555 |
12 |
3 |
9553 |
52.9 |
-7.7 |
0.566 |
0 |
0 |
0 |
0.127 |
25 |
37 |
|
[SO4]E:2466 |
4 |
1 |
184 |
◊ |
H |
x,y,z |
1_555 |
9 |
5 |
12966 |
52.4 |
-7.4 |
0.616 |
0 |
0 |
0 |
0.124 |
26 |
38 |
|
[SO4]C:2467 |
5 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
10 |
4 |
13088 |
52.3 |
-7.5 |
0.668 |
0 |
0 |
0 |
0.158 |
27 |
39 |
|
[SO4]F:1266 |
5 |
1 |
186 |
◊ |
F |
x,y,z |
1_555 |
6 |
2 |
12937 |
47.4 |
-5.6 |
0.863 |
1 |
0 |
0 |
0.063 |
28 |
40 |
|
[SO4]A:2266 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
5 |
2 |
9736 |
43.8 |
-4.4 |
0.939 |
1 |
0 |
0 |
0.051 |
29 |
41 |
|
[SO4]A:2266 |
4 |
1 |
184 |
◊ |
C |
-x+2,y-1/2,-z |
2_745 |
3 |
1 |
9943 |
30.2 |
-4.0 |
0.409 |
0 |
0 |
0 |
0.000 |
30 |
42 |
|
D |
3 |
1 |
12985 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
13088 |
27.8 |
-0.2 |
0.360 |
0 |
0 |
0 |
0.000 |
43 |
|
B |
4 |
1 |
13088 |
◊ |
D |
x,y-1,z |
1_545 |
2 |
1 |
12985 |
20.4 |
-0.2 |
0.401 |
0 |
0 |
0 |
0.000 |
44 |
|
H |
2 |
1 |
12966 |
◊ |
F |
x,y,z |
1_555 |
4 |
2 |
12937 |
15.0 |
-0.1 |
0.455 |
0 |
0 |
0 |
0.000 |
45 |
|
F |
1 |
1 |
12937 |
◊ |
H |
x,y-1,z |
1_545 |
3 |
1 |
12966 |
5.0 |
-0.2 |
0.415 |
0 |
0 |
0 |
0.000 |
Average: |
17.1 |
-0.2 |
0.408 |
0 |
0 |
0 |
0.000 |
31 |
46 |
|
[SO4]A:2266 |
1 |
1 |
184 |
◊ |
D |
-x+2,y-1/2,-z |
2_745 |
1 |
1 |
12985 |
1.3 |
-0.1 |
0.876 |
0 |
0 |
0 |
0.000 |
|