## |
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 |
134 |
37 |
17479 |
◊ |
A |
x,y,z |
1_555 |
131 |
38 |
17334 |
1307.8 |
0.4 |
0.710 |
26 |
16 |
0 |
0.198 |
2 |
|
E |
132 |
38 |
17142 |
◊ |
D |
x,y,z-1 |
1_554 |
133 |
38 |
17316 |
1289.8 |
-2.7 |
0.569 |
22 |
16 |
0 |
0.198 |
3 |
|
C |
127 |
40 |
17107 |
◊ |
B |
x,y,z |
1_555 |
130 |
37 |
17775 |
1276.0 |
0.0 |
0.716 |
22 |
16 |
0 |
0.198 |
4 |
|
G |
130 |
38 |
17326 |
◊ |
F |
x,y,z |
1_555 |
136 |
38 |
17384 |
1259.9 |
-3.7 |
0.511 |
27 |
14 |
0 |
0.198 |
Average: |
1283.4 |
-1.5 |
0.626 |
24 |
16 |
0 |
0.198 |
2 |
5 |
|
H |
88 |
26 |
17479 |
◊ |
E |
x,y-1,z |
1_545 |
88 |
27 |
17142 |
841.0 |
-11.1 |
0.053 |
8 |
5 |
0 |
0.157 |
6 |
|
A |
80 |
24 |
17334 |
◊ |
D |
x,y-1,z-1 |
1_544 |
78 |
24 |
17316 |
796.0 |
-10.9 |
0.037 |
8 |
2 |
0 |
0.157 |
7 |
|
B |
80 |
26 |
17775 |
◊ |
G |
x-1,y,z |
1_455 |
81 |
25 |
17326 |
794.6 |
-9.9 |
0.073 |
7 |
4 |
0 |
0.157 |
8 |
|
C |
78 |
24 |
17107 |
◊ |
F |
x-1,y,z |
1_455 |
82 |
26 |
17384 |
779.3 |
-10.5 |
0.049 |
10 |
3 |
0 |
0.157 |
Average: |
802.7 |
-10.6 |
0.053 |
8 |
4 |
0 |
0.157 |
3 |
9 |
|
F |
40 |
12 |
17384 |
◊ |
D |
x,y-1,z |
1_545 |
45 |
13 |
17316 |
374.0 |
-0.9 |
0.381 |
1 |
3 |
0 |
0.000 |
10 |
|
C |
41 |
12 |
17107 |
◊ |
A |
x-1,y,z+1 |
1_456 |
39 |
13 |
17334 |
350.9 |
-1.9 |
0.288 |
0 |
3 |
0 |
0.000 |
Average: |
362.5 |
-1.4 |
0.335 |
1 |
3 |
0 |
0.000 |
4 |
11 |
|
F |
38 |
11 |
17384 |
◊ |
A |
x,y,z |
1_555 |
37 |
11 |
17334 |
331.8 |
-4.0 |
0.211 |
0 |
2 |
0 |
0.000 |
12 |
|
D |
32 |
11 |
17316 |
◊ |
C |
x,y,z |
1_555 |
31 |
11 |
17107 |
298.5 |
-3.2 |
0.247 |
1 |
1 |
0 |
0.000 |
Average: |
315.1 |
-3.6 |
0.229 |
1 |
2 |
0 |
0.000 |
5 |
13 |
|
H |
33 |
9 |
17479 |
◊ |
B |
x,y,z |
1_555 |
26 |
11 |
17775 |
232.2 |
-0.7 |
0.488 |
3 |
3 |
0 |
0.000 |
6 |
14 |
|
E |
30 |
9 |
17142 |
◊ |
C |
x,y,z-1 |
1_554 |
26 |
9 |
17107 |
230.6 |
0.7 |
0.696 |
2 |
1 |
0 |
0.000 |
15 |
|
D |
28 |
8 |
17316 |
◊ |
B |
x,y,z |
1_555 |
20 |
8 |
17775 |
194.4 |
0.1 |
0.631 |
2 |
0 |
0 |
0.000 |
Average: |
212.5 |
0.4 |
0.663 |
2 |
1 |
0 |
0.000 |
7 |
16 |
|
[PGE]F:423 |
10 |
1 |
327 |
f |
F |
x,y,z |
1_555 |
33 |
14 |
17384 |
223.9 |
5.5 |
0.371 |
6 |
0 |
0 |
0.000 |
8 |
17 |
|
G |
25 |
7 |
17326 |
◊ |
B |
x,y,z |
1_555 |
15 |
4 |
17775 |
203.2 |
-1.7 |
0.164 |
1 |
0 |
0 |
0.000 |
9 |
18 |
|
E |
21 |
10 |
17142 |
◊ |
A |
x,y,z |
1_555 |
20 |
4 |
17334 |
188.4 |
1.3 |
0.774 |
1 |
1 |
0 |
0.000 |
10 |
19 |
|
[PGE]A:422 |
10 |
1 |
328 |
f |
A |
x,y,z |
1_555 |
23 |
12 |
17334 |
184.3 |
6.7 |
0.472 |
2 |
0 |
0 |
0.000 |
11 |
20 |
|
[PG4]F:422 |
12 |
1 |
406 |
f |
G |
x,y,z |
1_555 |
24 |
11 |
17326 |
175.2 |
3.5 |
0.344 |
4 |
0 |
0 |
0.000 |
12 |
21 |
|
[PG4]F:422 |
12 |
1 |
406 |
◊ |
F |
x,y,z |
1_555 |
28 |
10 |
17384 |
161.9 |
4.3 |
0.368 |
1 |
0 |
0 |
0.000 |
13 |
22 |
|
F |
29 |
10 |
17384 |
◊ |
B |
x,y,z |
1_555 |
22 |
9 |
17775 |
139.1 |
0.2 |
0.659 |
0 |
0 |
0 |
0.000 |
14 |
23 |
|
H |
16 |
6 |
17479 |
◊ |
F |
x,y,z |
1_555 |
16 |
5 |
17384 |
132.1 |
1.3 |
0.782 |
1 |
1 |
0 |
0.000 |
24 |
|
G |
14 |
5 |
17326 |
◊ |
A |
x,y,z |
1_555 |
18 |
5 |
17334 |
113.5 |
1.5 |
0.778 |
2 |
2 |
0 |
0.000 |
Average: |
122.8 |
1.4 |
0.780 |
2 |
2 |
0 |
0.000 |
15 |
25 |
|
[SO4]E:421 |
5 |
1 |
184 |
f |
E |
x,y,z |
1_555 |
19 |
6 |
17142 |
95.5 |
-15.3 |
0.641 |
9 |
0 |
0 |
0.196 |
16 |
26 |
|
[SO4]B:421 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
18 |
6 |
17775 |
95.0 |
-15.5 |
0.661 |
9 |
0 |
0 |
0.204 |
17 |
27 |
|
[SO4]H:421 |
5 |
1 |
185 |
f |
H |
x,y,z |
1_555 |
17 |
6 |
17479 |
95.0 |
-15.5 |
0.629 |
7 |
0 |
0 |
0.203 |
18 |
28 |
|
[SO4]A:421 |
5 |
1 |
187 |
f |
A |
x,y,z |
1_555 |
16 |
6 |
17334 |
93.7 |
-14.8 |
0.645 |
7 |
0 |
0 |
0.196 |
19 |
29 |
|
[SO4]G:421 |
5 |
1 |
185 |
f |
G |
x,y,z |
1_555 |
19 |
6 |
17326 |
92.2 |
-14.7 |
0.633 |
6 |
0 |
0 |
0.193 |
20 |
30 |
|
[SO4]C:421 |
5 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
16 |
6 |
17107 |
92.0 |
-14.3 |
0.662 |
5 |
0 |
0 |
0.174 |
21 |
31 |
|
[SO4]F:421 |
5 |
1 |
185 |
f |
F |
x,y,z |
1_555 |
17 |
6 |
17384 |
91.6 |
-14.4 |
0.746 |
7 |
0 |
0 |
0.194 |
22 |
32 |
|
[SO4]D:421 |
5 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
17 |
6 |
17316 |
91.1 |
-14.8 |
0.596 |
5 |
0 |
0 |
0.178 |
23 |
33 |
|
[SO4]F:420 |
5 |
1 |
182 |
f |
F |
x,y,z |
1_555 |
15 |
6 |
17384 |
90.4 |
-16.3 |
0.664 |
6 |
0 |
0 |
0.211 |
24 |
34 |
|
[SO4]D:420 |
5 |
1 |
183 |
f |
D |
x,y,z |
1_555 |
15 |
6 |
17316 |
90.1 |
-16.1 |
0.674 |
7 |
0 |
0 |
0.201 |
25 |
35 |
|
[SO4]A:420 |
5 |
1 |
182 |
f |
A |
x,y,z |
1_555 |
15 |
6 |
17334 |
89.4 |
-16.0 |
0.687 |
8 |
0 |
0 |
0.214 |
26 |
36 |
|
[SO4]C:420 |
5 |
1 |
183 |
f |
C |
x,y,z |
1_555 |
15 |
6 |
17107 |
89.3 |
-16.0 |
0.688 |
7 |
0 |
0 |
0.201 |
27 |
37 |
|
[SO4]H:420 |
5 |
1 |
181 |
f |
H |
x,y,z |
1_555 |
15 |
6 |
17479 |
87.8 |
-16.2 |
0.648 |
6 |
0 |
0 |
0.206 |
28 |
38 |
|
[SO4]E:420 |
5 |
1 |
184 |
f |
E |
x,y,z |
1_555 |
14 |
5 |
17142 |
87.4 |
-16.3 |
0.681 |
7 |
0 |
0 |
0.197 |
29 |
39 |
|
[SO4]B:420 |
5 |
1 |
181 |
f |
B |
x,y,z |
1_555 |
14 |
5 |
17775 |
86.6 |
-15.8 |
0.691 |
7 |
0 |
0 |
0.199 |
30 |
40 |
|
[SO4]G:420 |
5 |
1 |
182 |
f |
G |
x,y,z |
1_555 |
14 |
6 |
17326 |
85.6 |
-15.9 |
0.688 |
7 |
0 |
0 |
0.211 |
31 |
41 |
|
H |
13 |
4 |
17479 |
◊ |
A |
x-1,y,z |
1_455 |
12 |
5 |
17334 |
85.1 |
-1.2 |
0.331 |
0 |
1 |
0 |
0.000 |
32 |
42 |
|
G |
15 |
7 |
17326 |
◊ |
E |
x,y,z |
1_555 |
10 |
3 |
17142 |
82.3 |
0.2 |
0.645 |
0 |
0 |
0 |
0.000 |
33 |
43 |
|
[SO4]C:421 |
4 |
1 |
185 |
◊ |
F |
x-1,y,z |
1_455 |
9 |
3 |
17384 |
56.7 |
-7.0 |
0.727 |
0 |
0 |
0 |
0.071 |
34 |
44 |
|
A |
8 |
3 |
17334 |
◊ |
[SO4]D:421 |
x,y-1,z-1 |
1_544 |
4 |
1 |
185 |
54.5 |
-6.6 |
0.742 |
0 |
0 |
0 |
0.069 |
35 |
45 |
|
C |
8 |
3 |
17107 |
◊ |
[SO4]F:421 |
x-1,y,z |
1_455 |
4 |
1 |
185 |
54.4 |
-6.7 |
0.750 |
0 |
0 |
0 |
0.068 |
36 |
46 |
|
B |
8 |
3 |
17775 |
◊ |
[SO4]G:421 |
x-1,y,z |
1_455 |
4 |
1 |
185 |
54.0 |
-6.7 |
0.749 |
0 |
0 |
0 |
0.068 |
37 |
47 |
|
[SO4]A:421 |
4 |
1 |
187 |
◊ |
D |
x,y-1,z-1 |
1_544 |
8 |
3 |
17316 |
52.8 |
-6.5 |
0.744 |
0 |
0 |
0 |
0.068 |
38 |
48 |
|
H |
11 |
3 |
17479 |
◊ |
[SO4]E:421 |
x,y-1,z |
1_545 |
4 |
1 |
184 |
50.4 |
-5.8 |
0.777 |
0 |
0 |
0 |
0.056 |
39 |
49 |
|
[SO4]B:421 |
4 |
1 |
186 |
◊ |
G |
x-1,y,z |
1_455 |
9 |
3 |
17326 |
50.1 |
-5.7 |
0.773 |
0 |
0 |
0 |
0.058 |
40 |
50 |
|
[SO4]H:421 |
4 |
1 |
185 |
◊ |
E |
x,y-1,z |
1_545 |
10 |
3 |
17142 |
50.0 |
-5.7 |
0.775 |
0 |
0 |
0 |
0.055 |
41 |
51 |
|
F |
5 |
2 |
17384 |
◊ |
G |
x,y-1,z |
1_545 |
7 |
3 |
17326 |
40.1 |
-0.4 |
0.482 |
0 |
0 |
0 |
0.000 |
42 |
52 |
|
[SO4]C:420 |
3 |
1 |
183 |
◊ |
B |
x,y,z |
1_555 |
6 |
3 |
17775 |
37.5 |
-4.4 |
0.794 |
0 |
0 |
0 |
0.046 |
43 |
53 |
|
[SO4]H:420 |
4 |
1 |
181 |
◊ |
A |
x,y,z |
1_555 |
6 |
3 |
17334 |
37.0 |
-4.2 |
0.741 |
0 |
0 |
0 |
0.046 |
44 |
54 |
|
[SO4]B:420 |
4 |
1 |
181 |
◊ |
C |
x,y,z |
1_555 |
6 |
3 |
17107 |
36.4 |
-4.6 |
0.746 |
0 |
0 |
0 |
0.049 |
45 |
55 |
|
E |
6 |
3 |
17142 |
◊ |
[SO4]D:420 |
x,y,z-1 |
1_554 |
4 |
1 |
183 |
35.6 |
-4.4 |
0.761 |
0 |
0 |
0 |
0.044 |
46 |
56 |
|
[SO4]E:420 |
4 |
1 |
184 |
◊ |
D |
x,y,z-1 |
1_554 |
6 |
3 |
17316 |
35.1 |
-4.6 |
0.747 |
0 |
0 |
0 |
0.046 |
47 |
57 |
|
[SO4]A:420 |
4 |
1 |
182 |
◊ |
H |
x,y,z |
1_555 |
6 |
4 |
17479 |
35.1 |
-4.6 |
0.753 |
0 |
0 |
0 |
0.050 |
48 |
58 |
|
[SO4]F:420 |
4 |
1 |
182 |
◊ |
G |
x,y,z |
1_555 |
7 |
4 |
17326 |
34.6 |
-3.9 |
0.770 |
0 |
0 |
0 |
0.043 |
49 |
59 |
|
[SO4]G:420 |
4 |
1 |
182 |
◊ |
F |
x,y,z |
1_555 |
6 |
3 |
17384 |
31.8 |
-3.9 |
0.766 |
0 |
0 |
0 |
0.043 |
50 |
60 |
|
H |
1 |
1 |
17479 |
◊ |
G |
x-1,y,z |
1_455 |
3 |
2 |
17326 |
27.2 |
0.7 |
0.490 |
0 |
0 |
0 |
0.000 |
51 |
61 |
|
E |
2 |
1 |
17142 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
17775 |
22.5 |
0.8 |
0.892 |
0 |
0 |
0 |
0.000 |
52 |
62 |
|
H |
1 |
1 |
17479 |
◊ |
G |
x,y-1,z |
1_545 |
3 |
1 |
17326 |
12.1 |
-0.1 |
0.336 |
0 |
0 |
0 |
0.000 |
53 |
63 |
|
[SO4]G:420 |
4 |
1 |
182 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
17775 |
6.6 |
-0.6 |
0.489 |
0 |
0 |
0 |
0.000 |
|