## |
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 |
|
G |
195 |
46 |
11171 |
◊ |
E |
x,y,z |
1_555 |
203 |
50 |
13460 |
2036.4 |
-21.4 |
0.170 |
25 |
8 |
0 |
0.312 |
2 |
|
K |
193 |
48 |
11051 |
◊ |
I |
x,y,z |
1_555 |
188 |
54 |
13704 |
2003.5 |
-24.6 |
0.091 |
21 |
8 |
0 |
0.312 |
3 |
|
C |
148 |
38 |
10560 |
◊ |
A |
x,y,z |
1_555 |
149 |
37 |
11579 |
1538.8 |
-21.2 |
0.073 |
15 |
4 |
0 |
0.312 |
Average: |
1859.6 |
-22.4 |
0.111 |
20 |
7 |
0 |
0.312 |
2 |
4 |
|
J |
183 |
44 |
10193 |
◊ |
I |
x,y,z |
1_555 |
176 |
46 |
13704 |
1757.4 |
-31.3 |
0.016 |
13 |
3 |
0 |
0.748 |
5 |
|
B |
172 |
46 |
10337 |
◊ |
A |
x,y,z |
1_555 |
173 |
45 |
11579 |
1674.4 |
-31.3 |
0.024 |
12 |
3 |
0 |
0.748 |
6 |
|
F |
173 |
44 |
10269 |
◊ |
E |
x,y,z |
1_555 |
172 |
45 |
13460 |
1673.5 |
-31.3 |
0.011 |
13 |
6 |
0 |
0.748 |
Average: |
1701.8 |
-31.3 |
0.017 |
13 |
4 |
0 |
0.748 |
3 |
7 |
|
L |
151 |
38 |
11814 |
◊ |
J |
x,y,z |
1_555 |
176 |
44 |
10193 |
1627.7 |
-22.6 |
0.113 |
17 |
10 |
0 |
0.191 |
8 |
|
D |
147 |
38 |
11595 |
◊ |
B |
x,y,z |
1_555 |
166 |
40 |
10337 |
1602.6 |
-24.5 |
0.072 |
12 |
6 |
0 |
0.191 |
9 |
|
H |
147 |
41 |
11660 |
◊ |
F |
x,y,z |
1_555 |
165 |
40 |
10269 |
1601.3 |
-24.4 |
0.053 |
17 |
14 |
0 |
0.191 |
Average: |
1610.5 |
-23.8 |
0.080 |
15 |
10 |
0 |
0.191 |
4 |
10 |
|
L |
152 |
38 |
11814 |
◊ |
K |
x,y,z |
1_555 |
149 |
38 |
11051 |
1501.3 |
-24.0 |
0.079 |
11 |
3 |
0 |
0.174 |
11 |
|
H |
154 |
38 |
11660 |
◊ |
G |
x,y,z |
1_555 |
151 |
38 |
11171 |
1437.1 |
-25.0 |
0.057 |
9 |
1 |
0 |
0.174 |
12 |
|
D |
132 |
33 |
11595 |
◊ |
C |
x,y,z |
1_555 |
137 |
33 |
10560 |
1312.3 |
-24.4 |
0.046 |
7 |
4 |
0 |
0.174 |
Average: |
1416.9 |
-24.5 |
0.061 |
9 |
3 |
0 |
0.174 |
5 |
13 |
|
J |
67 |
19 |
10193 |
◊ |
J |
-x+1,y,-z-1 |
2_654 |
68 |
19 |
10193 |
582.6 |
-0.3 |
0.771 |
4 |
10 |
0 |
0.000 |
6 |
14 |
|
H |
56 |
17 |
11660 |
◊ |
K |
x,y,z |
1_555 |
57 |
19 |
11051 |
510.0 |
-2.8 |
0.628 |
3 |
5 |
0 |
0.000 |
7 |
15 |
|
L |
45 |
15 |
11814 |
◊ |
J |
-x+1,y,-z-1 |
2_654 |
39 |
10 |
10193 |
400.5 |
-0.6 |
0.743 |
6 |
4 |
0 |
0.000 |
8 |
16 |
|
F |
48 |
14 |
10269 |
◊ |
B |
x,y,z |
1_555 |
38 |
9 |
10337 |
400.2 |
-1.1 |
0.657 |
2 |
0 |
0 |
0.005 |
9 |
17 |
|
C |
38 |
14 |
10560 |
◊ |
L |
-x+1/2,y-1/2,-z-2 |
4_543 |
33 |
10 |
11814 |
331.0 |
-4.8 |
0.308 |
1 |
0 |
0 |
0.013 |
10 |
18 |
|
D |
41 |
13 |
11595 |
◊ |
F |
x,y,z |
1_555 |
29 |
10 |
10269 |
320.1 |
-0.7 |
0.739 |
1 |
0 |
0 |
0.003 |
11 |
19 |
|
E |
32 |
10 |
13460 |
◊ |
J |
-x+1/2,y-1/2,-z-1 |
4_544 |
30 |
11 |
10193 |
317.7 |
-1.5 |
0.559 |
1 |
4 |
0 |
0.000 |
20 |
|
F |
26 |
9 |
10269 |
◊ |
I |
-x+1/2,y-1/2,-z-1 |
4_544 |
30 |
10 |
13704 |
305.0 |
-1.1 |
0.595 |
4 |
2 |
0 |
0.000 |
Average: |
311.3 |
-1.3 |
0.577 |
3 |
3 |
0 |
0.000 |
12 |
21 |
|
H |
30 |
8 |
11660 |
◊ |
E |
x,y,z |
1_555 |
34 |
11 |
13460 |
284.4 |
-5.5 |
0.203 |
1 |
2 |
0 |
0.035 |
22 |
|
D |
26 |
7 |
11595 |
◊ |
A |
x,y,z |
1_555 |
30 |
9 |
11579 |
280.8 |
-5.0 |
0.259 |
1 |
1 |
0 |
0.035 |
23 |
|
L |
33 |
9 |
11814 |
◊ |
I |
x,y,z |
1_555 |
33 |
11 |
13704 |
278.4 |
-5.5 |
0.236 |
1 |
1 |
0 |
0.035 |
Average: |
281.2 |
-5.3 |
0.233 |
1 |
1 |
0 |
0.035 |
13 |
24 |
|
E |
37 |
11 |
13460 |
◊ |
E |
-x,y,-z-2 |
2_553 |
37 |
11 |
13460 |
264.5 |
-0.7 |
0.651 |
0 |
0 |
0 |
0.000 |
14 |
25 |
|
H |
36 |
11 |
11660 |
◊ |
B |
x,y,z |
1_555 |
26 |
8 |
10337 |
247.6 |
-0.8 |
0.612 |
4 |
0 |
0 |
0.006 |
15 |
26 |
|
E |
33 |
9 |
13460 |
◊ |
L |
-x+1/2,y-1/2,-z-1 |
4_544 |
22 |
6 |
11814 |
240.2 |
0.9 |
0.782 |
5 |
3 |
0 |
0.000 |
27 |
|
H |
21 |
5 |
11660 |
◊ |
I |
-x+1/2,y-1/2,-z-1 |
4_544 |
35 |
9 |
13704 |
239.6 |
0.2 |
0.750 |
3 |
3 |
0 |
0.000 |
Average: |
239.9 |
0.6 |
0.766 |
4 |
3 |
0 |
0.000 |
16 |
28 |
|
B |
27 |
7 |
10337 |
◊ |
I |
-x+1,y,-z-1 |
2_654 |
24 |
5 |
13704 |
229.7 |
0.8 |
0.758 |
3 |
0 |
0 |
0.000 |
17 |
29 |
|
G |
20 |
5 |
11171 |
◊ |
E |
-x,y,-z-2 |
2_553 |
21 |
6 |
13460 |
170.3 |
-2.0 |
0.435 |
1 |
2 |
0 |
0.000 |
18 |
30 |
|
C |
23 |
11 |
10560 |
◊ |
B |
x,y,z |
1_555 |
16 |
5 |
10337 |
159.2 |
-1.5 |
0.414 |
0 |
0 |
0 |
0.016 |
31 |
|
K |
22 |
8 |
11051 |
◊ |
J |
x,y,z |
1_555 |
15 |
5 |
10193 |
150.7 |
-2.4 |
0.271 |
0 |
0 |
0 |
0.016 |
32 |
|
G |
17 |
7 |
11171 |
◊ |
F |
x,y,z |
1_555 |
11 |
4 |
10269 |
138.6 |
-2.0 |
0.293 |
0 |
0 |
0 |
0.016 |
Average: |
149.5 |
-2.0 |
0.326 |
0 |
0 |
0 |
0.016 |
19 |
33 |
|
E |
19 |
5 |
13460 |
◊ |
I |
-x+1/2,y-1/2,-z-1 |
4_544 |
21 |
5 |
13704 |
154.9 |
0.3 |
0.670 |
1 |
0 |
0 |
0.000 |
20 |
34 |
|
A |
19 |
6 |
11579 |
◊ |
A |
-x+1,y,-z-2 |
2_653 |
18 |
6 |
11579 |
148.0 |
-2.0 |
0.471 |
0 |
0 |
0 |
0.000 |
21 |
35 |
|
[SO4]I:1003 |
5 |
1 |
186 |
f |
I |
x,y,z |
1_555 |
22 |
7 |
13704 |
128.9 |
-20.1 |
0.671 |
4 |
0 |
0 |
0.229 |
22 |
36 |
|
[SO4]L:1008 |
5 |
1 |
186 |
f |
L |
x,y,z |
1_555 |
23 |
9 |
11814 |
117.3 |
-17.1 |
0.721 |
1 |
0 |
0 |
0.100 |
23 |
37 |
|
K |
13 |
3 |
11051 |
◊ |
B |
-x+1,y,-z-1 |
2_654 |
13 |
4 |
10337 |
107.2 |
-1.1 |
0.482 |
1 |
0 |
0 |
0.000 |
24 |
38 |
|
[SO4]J:1006 |
5 |
1 |
185 |
f |
J |
x,y,z |
1_555 |
12 |
4 |
10193 |
89.8 |
-14.5 |
0.654 |
1 |
0 |
0 |
0.156 |
25 |
39 |
|
[SO4]F:1014 |
5 |
1 |
186 |
f |
F |
x,y,z |
1_555 |
12 |
5 |
10269 |
89.0 |
-11.9 |
0.700 |
0 |
0 |
0 |
0.087 |
26 |
40 |
|
[SO4]K:1007 |
5 |
1 |
187 |
f |
K |
x,y,z |
1_555 |
17 |
5 |
11051 |
88.3 |
-12.9 |
0.762 |
2 |
0 |
0 |
0.100 |
27 |
41 |
|
C |
13 |
5 |
10560 |
f |
[SO4]L:1009 |
-x+1/2,y-1/2,-z-2 |
4_543 |
5 |
1 |
186 |
82.7 |
-11.2 |
0.736 |
1 |
0 |
0 |
0.127 |
28 |
42 |
|
[SO4]I:1001 |
5 |
1 |
187 |
f |
I |
x,y,z |
1_555 |
8 |
4 |
13704 |
81.7 |
-9.9 |
0.934 |
2 |
0 |
0 |
0.113 |
29 |
43 |
|
[SO4]F:1004 |
5 |
1 |
186 |
f |
F |
x,y,z |
1_555 |
15 |
5 |
10269 |
76.5 |
-11.9 |
0.694 |
2 |
0 |
0 |
0.094 |
30 |
44 |
|
[SO4]F:1010 |
5 |
1 |
187 |
f |
E |
x,y,z |
1_555 |
15 |
5 |
13460 |
72.3 |
-9.8 |
0.630 |
0 |
0 |
0 |
0.072 |
31 |
45 |
|
[SO4]E:1015 |
5 |
1 |
186 |
f |
E |
x,y,z |
1_555 |
10 |
4 |
13460 |
71.6 |
-8.8 |
0.874 |
2 |
0 |
0 |
0.071 |
32 |
46 |
|
[SO4]I:1002 |
5 |
1 |
186 |
f |
I |
x,y,z |
1_555 |
9 |
3 |
13704 |
70.2 |
-9.1 |
0.850 |
3 |
0 |
0 |
0.109 |
33 |
47 |
|
[SO4]L:1009 |
5 |
1 |
186 |
◊ |
L |
x,y,z |
1_555 |
9 |
5 |
11814 |
70.2 |
-10.1 |
0.551 |
0 |
0 |
0 |
0.025 |
34 |
48 |
|
[SO4]E:1013 |
5 |
1 |
187 |
f |
E |
x,y,z |
1_555 |
8 |
3 |
13460 |
69.1 |
-8.7 |
0.865 |
4 |
0 |
0 |
0.076 |
35 |
49 |
|
[SO4]F:1005 |
5 |
1 |
185 |
f |
F |
x,y,z |
1_555 |
9 |
4 |
10269 |
67.3 |
-9.3 |
0.774 |
4 |
0 |
0 |
0.081 |
36 |
50 |
|
[SO4]A:1017 |
4 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
14 |
4 |
11579 |
66.0 |
-9.2 |
0.778 |
1 |
0 |
0 |
0.194 |
37 |
51 |
|
[SO4]B:1016 |
5 |
1 |
187 |
◊ |
D |
x,y,z |
1_555 |
7 |
5 |
11595 |
58.4 |
-6.9 |
0.838 |
0 |
0 |
0 |
0.016 |
38 |
52 |
|
[SO4]F:1010 |
4 |
1 |
187 |
◊ |
F |
x,y,z |
1_555 |
11 |
2 |
10269 |
57.4 |
-7.4 |
0.889 |
1 |
0 |
0 |
0.057 |
39 |
53 |
|
[SO4]B:1016 |
4 |
1 |
187 |
◊ |
B |
x,y,z |
1_555 |
4 |
2 |
10337 |
55.6 |
-6.7 |
0.745 |
1 |
0 |
0 |
0.016 |
40 |
54 |
|
[SO4]B:1016 |
4 |
1 |
187 |
f |
F |
x,y,z |
1_555 |
6 |
3 |
10269 |
55.5 |
-7.3 |
0.680 |
1 |
0 |
0 |
0.057 |
41 |
55 |
|
[SO4]F:1004 |
4 |
1 |
186 |
◊ |
H |
x,y,z |
1_555 |
9 |
2 |
11660 |
54.9 |
-7.2 |
0.694 |
0 |
0 |
0 |
0.028 |
42 |
56 |
|
[SO4]E:1012 |
4 |
1 |
186 |
f |
E |
x,y,z |
1_555 |
4 |
3 |
13460 |
46.4 |
-5.0 |
0.923 |
1 |
0 |
0 |
0.039 |
43 |
57 |
|
[SO4]E:1011 |
4 |
1 |
186 |
f |
E |
x,y,z |
1_555 |
5 |
3 |
13460 |
44.7 |
-5.9 |
0.638 |
0 |
0 |
0 |
0.043 |
44 |
58 |
|
[SO4]F:1014 |
4 |
1 |
186 |
◊ |
E |
x,y,z |
1_555 |
7 |
3 |
13460 |
41.9 |
-6.2 |
0.680 |
0 |
0 |
0 |
0.045 |
45 |
59 |
|
[SO4]A:1017 |
4 |
1 |
186 |
◊ |
D |
x,y,z |
1_555 |
7 |
1 |
11595 |
41.8 |
-5.6 |
0.629 |
0 |
0 |
0 |
0.035 |
46 |
60 |
|
[SO4]E:1011 |
4 |
1 |
186 |
◊ |
I |
-x+1/2,y-1/2,-z-1 |
4_544 |
7 |
3 |
13704 |
38.8 |
-4.7 |
0.738 |
0 |
0 |
0 |
0.000 |
47 |
61 |
|
[SO4]F:1005 |
4 |
1 |
185 |
◊ |
D |
x,y,z |
1_555 |
9 |
3 |
11595 |
38.4 |
-4.7 |
0.857 |
0 |
0 |
0 |
0.011 |
48 |
62 |
|
[SO4]F:1010 |
3 |
1 |
187 |
◊ |
H |
x,y,z |
1_555 |
4 |
2 |
11660 |
38.0 |
-5.0 |
0.470 |
0 |
0 |
0 |
0.019 |
49 |
63 |
|
G |
5 |
4 |
11171 |
◊ |
G |
-x,y,-z-2 |
2_553 |
5 |
4 |
11171 |
27.1 |
-0.5 |
0.483 |
0 |
0 |
0 |
0.000 |
50 |
64 |
|
[SO4]A:1017 |
2 |
1 |
186 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
10337 |
22.8 |
-2.4 |
0.900 |
1 |
0 |
0 |
0.057 |
51 |
65 |
|
G |
6 |
3 |
11171 |
◊ |
L |
-x+1/2,y-1/2,-z-1 |
4_544 |
2 |
2 |
11814 |
22.6 |
1.8 |
0.939 |
0 |
0 |
0 |
0.000 |
52 |
66 |
|
[SO4]E:1015 |
2 |
1 |
186 |
◊ |
G |
x,y,z |
1_555 |
1 |
1 |
11171 |
17.6 |
-1.8 |
0.920 |
1 |
0 |
0 |
0.013 |
53 |
67 |
|
[SO4]I:1001 |
2 |
1 |
187 |
◊ |
K |
x,y,z |
1_555 |
1 |
1 |
11051 |
15.4 |
-1.6 |
0.914 |
0 |
0 |
0 |
0.011 |
54 |
68 |
|
H |
3 |
2 |
11660 |
◊ |
K |
-x+1/2,y-1/2,-z-1 |
4_544 |
5 |
3 |
11051 |
9.8 |
0.1 |
0.685 |
0 |
0 |
0 |
0.000 |
55 |
69 |
|
H |
2 |
1 |
11660 |
◊ |
D |
x,y,z |
1_555 |
1 |
1 |
11595 |
7.0 |
-0.0 |
0.626 |
0 |
0 |
0 |
0.000 |
56 |
70 |
|
[SO4]J:1006 |
1 |
1 |
185 |
◊ |
L |
x,y,z |
1_555 |
2 |
1 |
11814 |
6.9 |
-0.9 |
0.626 |
0 |
0 |
0 |
0.004 |
57 |
71 |
|
[SO4]K:1007 |
1 |
1 |
187 |
◊ |
H |
x,y,z |
1_555 |
1 |
1 |
11660 |
6.6 |
-0.9 |
0.504 |
0 |
0 |
0 |
0.000 |
58 |
72 |
|
I |
1 |
1 |
13704 |
◊ |
A |
-x+1,y,-z-1 |
2_654 |
3 |
1 |
11579 |
4.9 |
-0.1 |
0.512 |
0 |
0 |
0 |
0.000 |
59 |
73 |
|
H |
3 |
1 |
11660 |
◊ |
L |
-x+1/2,y-1/2,-z-1 |
4_544 |
1 |
1 |
11814 |
4.6 |
-0.1 |
0.496 |
0 |
0 |
0 |
0.000 |
|