## |
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 |
135 |
38 |
11386 |
◊ |
G |
x,y,z |
1_555 |
139 |
36 |
11509 |
1328.2 |
-8.6 |
0.207 |
14 |
7 |
0 |
0.956 |
2 |
|
E |
132 |
38 |
11075 |
◊ |
D |
x,y,z |
1_555 |
145 |
40 |
11150 |
1310.9 |
-10.9 |
0.140 |
12 |
6 |
0 |
0.956 |
3 |
|
D |
132 |
36 |
11150 |
◊ |
C |
x,y,z |
1_555 |
142 |
37 |
11241 |
1297.9 |
-8.9 |
0.217 |
15 |
6 |
0 |
0.956 |
4 |
|
J |
131 |
37 |
11027 |
◊ |
I |
x,y,z |
1_555 |
142 |
40 |
11189 |
1292.0 |
-9.3 |
0.181 |
12 |
6 |
0 |
0.956 |
5 |
|
I |
132 |
36 |
11189 |
◊ |
H |
x,y,z |
1_555 |
138 |
37 |
11386 |
1287.3 |
-8.6 |
0.207 |
16 |
8 |
0 |
0.956 |
6 |
|
B |
135 |
38 |
11487 |
◊ |
A |
x,y,z |
1_555 |
132 |
36 |
11218 |
1267.8 |
-7.7 |
0.250 |
15 |
6 |
0 |
0.956 |
7 |
|
C |
131 |
34 |
11241 |
◊ |
B |
x,y,z |
1_555 |
133 |
37 |
11487 |
1267.6 |
-9.4 |
0.198 |
14 |
8 |
0 |
0.956 |
8 |
|
J |
138 |
39 |
11027 |
◊ |
F |
x,y,z |
1_555 |
131 |
36 |
11220 |
1255.1 |
-9.1 |
0.193 |
13 |
7 |
0 |
0.956 |
9 |
|
G |
126 |
39 |
11509 |
◊ |
F |
x,y,z |
1_555 |
136 |
37 |
11220 |
1253.3 |
-11.6 |
0.111 |
11 |
6 |
0 |
0.956 |
10 |
|
E |
140 |
39 |
11075 |
◊ |
A |
x,y,z |
1_555 |
124 |
36 |
11218 |
1223.9 |
-9.4 |
0.177 |
14 |
7 |
0 |
0.956 |
Average: |
1278.4 |
-9.3 |
0.188 |
14 |
7 |
0 |
0.956 |
2 |
11 |
|
G |
88 |
27 |
11509 |
◊ |
H |
x-1/2,-y+3/2,-z |
4_465 |
77 |
22 |
11386 |
727.8 |
-3.4 |
0.394 |
9 |
1 |
0 |
0.000 |
3 |
12 |
|
F |
43 |
12 |
11220 |
◊ |
D |
x,y,z |
1_555 |
49 |
14 |
11150 |
413.5 |
-0.3 |
0.579 |
5 |
1 |
0 |
0.000 |
13 |
|
I |
48 |
14 |
11189 |
◊ |
A |
x,y,z |
1_555 |
41 |
12 |
11218 |
395.5 |
-0.9 |
0.506 |
2 |
0 |
0 |
0.000 |
14 |
|
H |
42 |
12 |
11386 |
◊ |
B |
x,y,z |
1_555 |
48 |
12 |
11487 |
390.0 |
-1.0 |
0.457 |
3 |
0 |
0 |
0.000 |
15 |
|
G |
45 |
14 |
11509 |
◊ |
C |
x,y,z |
1_555 |
41 |
12 |
11241 |
377.4 |
-1.2 |
0.502 |
2 |
0 |
0 |
0.000 |
16 |
|
J |
43 |
13 |
11027 |
◊ |
E |
x,y,z |
1_555 |
46 |
13 |
11075 |
367.9 |
-3.2 |
0.320 |
2 |
0 |
0 |
0.000 |
Average: |
388.9 |
-1.3 |
0.473 |
3 |
0 |
0 |
0.000 |
4 |
17 |
|
D |
47 |
13 |
11150 |
◊ |
J |
-x,y-1/2,-z+1/2 |
3_545 |
48 |
14 |
11027 |
390.6 |
-0.8 |
0.511 |
7 |
0 |
0 |
0.000 |
18 |
|
E |
44 |
13 |
11075 |
◊ |
I |
-x+1,y-1/2,-z+1/2 |
3_645 |
40 |
11 |
11189 |
340.9 |
-2.2 |
0.396 |
5 |
0 |
0 |
0.000 |
Average: |
365.8 |
-1.5 |
0.453 |
6 |
0 |
0 |
0.000 |
5 |
19 |
|
C |
32 |
12 |
11241 |
◊ |
B |
x-1/2,-y+1/2,-z |
4_455 |
29 |
11 |
11487 |
277.6 |
0.5 |
0.635 |
3 |
4 |
0 |
0.000 |
6 |
20 |
|
F |
20 |
4 |
11220 |
◊ |
H |
x-1,y,z |
1_455 |
27 |
8 |
11386 |
199.5 |
0.7 |
0.628 |
1 |
2 |
0 |
0.000 |
7 |
21 |
|
C |
20 |
7 |
11241 |
◊ |
A |
x-1,y,z |
1_455 |
17 |
3 |
11218 |
159.3 |
1.7 |
0.744 |
2 |
1 |
0 |
0.000 |
8 |
22 |
|
[GOL]D:301 |
6 |
1 |
219 |
f |
D |
x,y,z |
1_555 |
22 |
10 |
11150 |
144.5 |
-0.7 |
0.539 |
2 |
0 |
0 |
0.018 |
9 |
23 |
|
E |
15 |
6 |
11075 |
◊ |
J |
-x,y-1/2,-z+1/2 |
3_545 |
16 |
6 |
11027 |
133.0 |
-0.2 |
0.482 |
3 |
0 |
0 |
0.000 |
24 |
|
E |
11 |
6 |
11075 |
◊ |
J |
-x+1,y-1/2,-z+1/2 |
3_645 |
8 |
3 |
11027 |
73.5 |
0.6 |
0.662 |
2 |
0 |
0 |
0.000 |
Average: |
103.2 |
0.2 |
0.572 |
3 |
0 |
0 |
0.000 |
10 |
25 |
|
[GOL]E:401 |
6 |
1 |
222 |
f |
E |
x,y,z |
1_555 |
17 |
7 |
11075 |
117.4 |
0.3 |
0.584 |
8 |
0 |
0 |
0.078 |
11 |
26 |
|
[GOL]D:302 |
6 |
1 |
220 |
f |
D |
x,y,z |
1_555 |
18 |
7 |
11150 |
111.4 |
0.7 |
0.643 |
5 |
0 |
0 |
0.018 |
12 |
27 |
|
B |
16 |
6 |
11487 |
◊ |
G |
x,y-1,z |
1_545 |
13 |
7 |
11509 |
109.2 |
1.0 |
0.717 |
0 |
0 |
0 |
0.000 |
13 |
28 |
|
[GOL]A:302 |
6 |
1 |
221 |
f |
A |
x,y,z |
1_555 |
16 |
7 |
11218 |
108.6 |
-0.1 |
0.546 |
5 |
0 |
0 |
1.000 |
14 |
29 |
|
B |
15 |
5 |
11487 |
◊ |
A |
x-1/2,-y+1/2,-z |
4_455 |
13 |
5 |
11218 |
106.4 |
-1.7 |
0.287 |
0 |
0 |
0 |
0.000 |
15 |
30 |
|
C |
15 |
6 |
11241 |
◊ |
H |
x-1/2,-y+1/2,-z |
4_455 |
10 |
3 |
11386 |
100.2 |
0.0 |
0.485 |
0 |
0 |
0 |
0.000 |
16 |
31 |
|
G |
10 |
5 |
11509 |
◊ |
D |
x,y,z |
1_555 |
12 |
5 |
11150 |
96.8 |
0.9 |
0.750 |
0 |
0 |
0 |
0.000 |
32 |
|
I |
11 |
5 |
11189 |
◊ |
B |
x,y,z |
1_555 |
11 |
5 |
11487 |
93.0 |
0.9 |
0.744 |
0 |
0 |
0 |
0.000 |
33 |
|
J |
10 |
5 |
11027 |
◊ |
A |
x,y,z |
1_555 |
10 |
4 |
11218 |
78.7 |
1.0 |
0.769 |
0 |
0 |
0 |
0.000 |
34 |
|
F |
10 |
4 |
11220 |
◊ |
E |
x,y,z |
1_555 |
9 |
5 |
11075 |
75.4 |
1.0 |
0.777 |
0 |
0 |
0 |
0.000 |
35 |
|
H |
11 |
4 |
11386 |
◊ |
C |
x,y,z |
1_555 |
9 |
5 |
11241 |
68.2 |
1.1 |
0.783 |
0 |
0 |
0 |
0.000 |
Average: |
82.4 |
1.0 |
0.765 |
0 |
0 |
0 |
0.000 |
17 |
36 |
|
[NAG]K:1 |
7 |
1 |
365 |
cf |
D |
x,y,z |
1_555 |
10 |
3 |
11150 |
93.1 |
3.1 |
0.551 |
1 |
0 |
0 |
0.000 |
18 |
37 |
|
[GOL]A:303 |
6 |
1 |
221 |
◊ |
A |
x,y,z |
1_555 |
14 |
6 |
11218 |
93.0 |
0.0 |
0.507 |
2 |
0 |
0 |
0.010 |
19 |
38 |
|
[NAG]A:301 |
10 |
1 |
360 |
cf |
A |
x,y,z |
1_555 |
8 |
3 |
11218 |
82.7 |
2.2 |
0.331 |
0 |
0 |
0 |
0.000 |
20 |
39 |
|
[NAG]J:301 |
8 |
1 |
360 |
cf |
J |
x,y,z |
1_555 |
8 |
3 |
11027 |
82.0 |
2.0 |
0.401 |
0 |
0 |
0 |
0.000 |
21 |
40 |
|
[NAG]G:301 |
10 |
1 |
361 |
cf |
G |
x,y,z |
1_555 |
8 |
3 |
11509 |
80.2 |
1.9 |
0.248 |
0 |
0 |
0 |
0.000 |
22 |
41 |
|
[NAG]B:301 |
7 |
1 |
361 |
cf |
B |
x,y,z |
1_555 |
8 |
3 |
11487 |
77.0 |
2.2 |
0.418 |
0 |
0 |
0 |
0.000 |
23 |
42 |
|
[NAG]F:301 |
10 |
1 |
364 |
cf |
F |
x,y,z |
1_555 |
6 |
2 |
11220 |
75.3 |
2.4 |
0.316 |
0 |
0 |
0 |
0.000 |
24 |
43 |
|
[NAG]H:301 |
7 |
1 |
367 |
cf |
H |
x,y,z |
1_555 |
9 |
3 |
11386 |
74.7 |
2.3 |
0.440 |
0 |
0 |
0 |
0.000 |
25 |
44 |
|
[NAG]K:2 |
9 |
1 |
364 |
cf |
[NAG]K:1 |
x,y,z |
1_555 |
7 |
1 |
365 |
74.4 |
1.5 |
0.099 |
0 |
0 |
0 |
0.000 |
26 |
45 |
|
[NAG]H:301 |
9 |
1 |
367 |
◊ |
B |
x,y,z |
1_555 |
13 |
4 |
11487 |
73.4 |
1.2 |
0.242 |
1 |
0 |
0 |
0.000 |
27 |
46 |
|
[GOL]A:303 |
5 |
1 |
221 |
f |
E |
x,y,z |
1_555 |
10 |
4 |
11075 |
70.5 |
-0.9 |
0.395 |
0 |
0 |
0 |
0.022 |
28 |
47 |
|
[SO4]G:303 |
5 |
1 |
184 |
f |
G |
x,y,z |
1_555 |
5 |
2 |
11509 |
62.6 |
-5.8 |
0.983 |
4 |
0 |
0 |
0.133 |
29 |
48 |
|
[NAG]G:301 |
7 |
1 |
361 |
◊ |
C |
x,y,z |
1_555 |
7 |
2 |
11241 |
61.5 |
2.4 |
0.296 |
2 |
0 |
0 |
0.000 |
30 |
49 |
|
D |
7 |
3 |
11150 |
◊ |
I |
x-1,y,z |
1_455 |
9 |
3 |
11189 |
58.9 |
0.4 |
0.690 |
0 |
0 |
0 |
0.000 |
31 |
50 |
|
C |
8 |
3 |
11241 |
◊ |
I |
x-1,y,z |
1_455 |
5 |
1 |
11189 |
57.6 |
0.3 |
0.659 |
0 |
0 |
0 |
0.000 |
51 |
|
D |
5 |
1 |
11150 |
◊ |
H |
x-1,y,z |
1_455 |
5 |
3 |
11386 |
51.6 |
0.1 |
0.566 |
0 |
1 |
0 |
0.000 |
Average: |
54.6 |
0.2 |
0.612 |
0 |
1 |
0 |
0.000 |
32 |
52 |
|
[CL]I:302 |
1 |
1 |
125 |
f |
I |
x,y,z |
1_555 |
9 |
5 |
11189 |
56.4 |
-8.2 |
0.000 |
0 |
0 |
0 |
0.147 |
53 |
|
[CL]J:303 |
1 |
1 |
125 |
f |
J |
x,y,z |
1_555 |
9 |
5 |
11027 |
56.2 |
-8.2 |
0.000 |
0 |
0 |
0 |
0.147 |
Average: |
56.3 |
-8.2 |
0.000 |
0 |
0 |
0 |
0.147 |
33 |
54 |
|
[NAG]K:2 |
5 |
1 |
364 |
◊ |
H |
x-1,y,z |
1_455 |
10 |
4 |
11386 |
54.8 |
1.4 |
0.451 |
0 |
0 |
0 |
0.000 |
34 |
55 |
|
[GOL]E:401 |
3 |
1 |
222 |
◊ |
A |
x,y,z |
1_555 |
7 |
3 |
11218 |
49.9 |
-0.7 |
0.315 |
0 |
0 |
0 |
0.008 |
35 |
56 |
|
[NAG]B:301 |
6 |
1 |
361 |
◊ |
H |
x,y,z |
1_555 |
6 |
3 |
11386 |
49.1 |
1.3 |
0.339 |
1 |
0 |
0 |
0.000 |
36 |
57 |
|
[NAG]H:301 |
7 |
1 |
367 |
◊ |
[NAG]B:301 |
x,y,z |
1_555 |
5 |
1 |
361 |
48.7 |
2.4 |
0.205 |
1 |
0 |
0 |
0.000 |
37 |
58 |
|
[GOL]D:302 |
4 |
1 |
220 |
◊ |
E |
x,y,z |
1_555 |
6 |
3 |
11075 |
48.7 |
-0.7 |
0.292 |
0 |
0 |
0 |
0.009 |
38 |
59 |
|
[NAG]J:301 |
7 |
1 |
360 |
◊ |
E |
x,y,z |
1_555 |
7 |
2 |
11075 |
46.8 |
1.5 |
0.327 |
1 |
0 |
0 |
0.000 |
39 |
60 |
|
[GOL]A:302 |
4 |
1 |
221 |
◊ |
B |
x,y,z |
1_555 |
7 |
3 |
11487 |
46.5 |
-0.8 |
0.314 |
0 |
0 |
0 |
0.010 |
40 |
61 |
|
B |
5 |
2 |
11487 |
x |
B |
x-1/2,-y+1/2,-z |
4_455 |
6 |
4 |
11487 |
46.1 |
0.4 |
0.677 |
1 |
0 |
0 |
0.000 |
41 |
62 |
|
[NAG]K:2 |
4 |
1 |
364 |
◊ |
I |
x-1,y,z |
1_455 |
5 |
3 |
11189 |
45.3 |
0.5 |
0.255 |
1 |
0 |
0 |
0.000 |
42 |
63 |
|
[CL]J:303 |
1 |
1 |
125 |
◊ |
I |
x,y,z |
1_555 |
8 |
5 |
11189 |
40.7 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.087 |
64 |
|
[CL]I:302 |
1 |
1 |
125 |
◊ |
H |
x,y,z |
1_555 |
8 |
5 |
11386 |
40.3 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.087 |
Average: |
40.5 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.087 |
43 |
65 |
|
[NAG]K:1 |
4 |
1 |
365 |
◊ |
F |
x,y,z |
1_555 |
5 |
1 |
11220 |
39.6 |
1.2 |
0.396 |
1 |
0 |
0 |
0.000 |
44 |
66 |
|
[SO4]G:303 |
3 |
1 |
184 |
◊ |
H |
x,y,z |
1_555 |
3 |
2 |
11386 |
38.8 |
-4.3 |
0.882 |
2 |
0 |
0 |
0.046 |
45 |
67 |
|
E |
4 |
1 |
11075 |
◊ |
D |
-x,y-1/2,-z+1/2 |
3_545 |
3 |
1 |
11150 |
37.8 |
1.0 |
0.867 |
0 |
3 |
0 |
0.000 |
68 |
|
I |
3 |
1 |
11189 |
◊ |
J |
-x+1,y-1/2,-z+1/2 |
3_645 |
3 |
1 |
11027 |
31.2 |
1.0 |
0.863 |
1 |
1 |
0 |
0.000 |
Average: |
34.5 |
1.0 |
0.865 |
1 |
2 |
0 |
0.000 |
46 |
69 |
|
G |
4 |
2 |
11509 |
x |
G |
x-1/2,-y+3/2,-z |
4_465 |
2 |
1 |
11509 |
32.8 |
0.4 |
0.584 |
1 |
0 |
0 |
0.000 |
47 |
70 |
|
[NAG]F:301 |
3 |
1 |
364 |
◊ |
D |
x,y,z |
1_555 |
6 |
3 |
11150 |
32.4 |
1.1 |
0.467 |
0 |
0 |
0 |
0.000 |
48 |
71 |
|
[NAG]A:301 |
6 |
1 |
360 |
◊ |
I |
x,y,z |
1_555 |
2 |
2 |
11189 |
31.0 |
1.8 |
0.343 |
0 |
0 |
0 |
0.000 |
49 |
72 |
|
A |
2 |
1 |
11218 |
◊ |
J |
-x+1,y-1/2,-z+1/2 |
3_645 |
2 |
1 |
11027 |
26.7 |
0.1 |
0.510 |
0 |
1 |
0 |
0.000 |
73 |
|
E |
2 |
2 |
11075 |
◊ |
F |
-x,y-1/2,-z+1/2 |
3_545 |
3 |
2 |
11220 |
17.7 |
0.2 |
0.697 |
0 |
0 |
0 |
0.000 |
Average: |
22.2 |
0.2 |
0.603 |
0 |
1 |
0 |
0.000 |
50 |
74 |
|
C |
5 |
4 |
11241 |
◊ |
[NAG]H:301 |
x-1/2,-y+1/2,-z |
4_455 |
3 |
1 |
367 |
21.4 |
0.6 |
0.398 |
0 |
0 |
0 |
0.000 |
51 |
75 |
|
C |
2 |
1 |
11241 |
◊ |
[NAG]B:301 |
x-1/2,-y+1/2,-z |
4_455 |
2 |
1 |
361 |
17.8 |
0.5 |
0.434 |
0 |
0 |
0 |
0.000 |
52 |
76 |
|
[GOL]D:301 |
1 |
1 |
219 |
◊ |
E |
x,y,z |
1_555 |
1 |
1 |
11075 |
13.7 |
0.3 |
0.652 |
0 |
0 |
0 |
0.000 |
53 |
77 |
|
H |
1 |
1 |
11386 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
11218 |
11.5 |
1.0 |
0.959 |
0 |
0 |
0 |
0.000 |
78 |
|
F |
1 |
1 |
11220 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
11241 |
6.0 |
0.5 |
0.891 |
0 |
0 |
0 |
0.000 |
Average: |
8.7 |
0.7 |
0.925 |
0 |
0 |
0 |
0.000 |
54 |
79 |
|
[NAG]K:1 |
1 |
1 |
365 |
◊ |
[NAG]F:301 |
x,y,z |
1_555 |
1 |
1 |
364 |
6.5 |
0.3 |
0.202 |
0 |
0 |
0 |
0.000 |
55 |
80 |
|
D |
1 |
1 |
11150 |
◊ |
A |
x-1,y,z |
1_455 |
1 |
1 |
11218 |
5.7 |
0.0 |
0.486 |
0 |
0 |
0 |
0.000 |
56 |
81 |
|
E |
1 |
1 |
11075 |
◊ |
[NAG]F:301 |
-x,y-1/2,-z+1/2 |
3_545 |
1 |
1 |
364 |
3.4 |
0.2 |
0.466 |
0 |
0 |
0 |
0.000 |
|