## |
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 |
|
A |
141 |
37 |
20212 |
◊ |
C |
-x+2,y-1/2,-z+3 |
2_748 |
134 |
35 |
19985 |
1424.4 |
-14.6 |
0.064 |
17 |
0 |
0 |
1.000 |
2 |
|
B |
135 |
33 |
20196 |
◊ |
D |
-x+2,y-1/2,-z+3 |
2_748 |
137 |
35 |
20128 |
1413.0 |
-12.1 |
0.135 |
19 |
1 |
0 |
1.000 |
Average: |
1418.7 |
-13.4 |
0.100 |
18 |
1 |
0 |
1.000 |
2 |
3 |
|
H |
99 |
28 |
5952 |
◊ |
D |
x,y,z |
1_555 |
97 |
29 |
20128 |
944.2 |
-6.3 |
0.384 |
14 |
0 |
0 |
1.000 |
4 |
|
E |
102 |
27 |
6088 |
◊ |
A |
x,y,z |
1_555 |
94 |
28 |
20212 |
941.5 |
-6.0 |
0.357 |
16 |
0 |
0 |
1.000 |
5 |
|
G |
95 |
26 |
6081 |
◊ |
C |
x,y,z |
1_555 |
93 |
29 |
19985 |
938.0 |
-4.9 |
0.383 |
15 |
0 |
0 |
1.000 |
6 |
|
F |
98 |
27 |
6301 |
◊ |
B |
x,y,z |
1_555 |
94 |
29 |
20196 |
931.6 |
-5.3 |
0.404 |
16 |
0 |
0 |
1.000 |
Average: |
938.8 |
-5.7 |
0.382 |
15 |
0 |
0 |
1.000 |
3 |
7 |
|
H |
60 |
17 |
5952 |
◊ |
A |
x,y,z |
1_555 |
45 |
15 |
20212 |
524.6 |
-0.1 |
0.672 |
8 |
1 |
0 |
0.873 |
4 |
8 |
|
F |
50 |
15 |
6301 |
◊ |
D |
x-1,y,z-1 |
1_454 |
56 |
14 |
20128 |
505.1 |
-5.2 |
0.271 |
4 |
0 |
0 |
0.000 |
9 |
|
E |
41 |
15 |
6088 |
◊ |
C |
x,y,z-1 |
1_554 |
54 |
12 |
19985 |
414.1 |
-2.3 |
0.469 |
5 |
0 |
0 |
0.000 |
Average: |
459.6 |
-3.8 |
0.370 |
5 |
0 |
0 |
0.000 |
5 |
10 |
|
G |
43 |
15 |
6081 |
◊ |
A |
x,y,z |
1_555 |
49 |
10 |
20212 |
408.5 |
-3.0 |
0.381 |
5 |
0 |
0 |
0.000 |
11 |
|
B |
48 |
11 |
20196 |
◊ |
H |
x-1,y,z |
1_455 |
41 |
13 |
5952 |
395.1 |
-3.2 |
0.382 |
3 |
0 |
0 |
0.000 |
Average: |
401.8 |
-3.1 |
0.381 |
4 |
0 |
0 |
0.000 |
6 |
12 |
|
C |
29 |
9 |
19985 |
◊ |
H |
x-1,y,z |
1_455 |
27 |
9 |
5952 |
224.8 |
-0.1 |
0.470 |
0 |
0 |
0 |
0.000 |
7 |
13 |
|
D |
24 |
12 |
20128 |
◊ |
A |
x,y,z |
1_555 |
22 |
6 |
20212 |
205.3 |
0.7 |
0.694 |
4 |
0 |
0 |
0.259 |
8 |
14 |
|
G |
22 |
8 |
6081 |
◊ |
B |
x,y,z |
1_555 |
16 |
5 |
20196 |
171.7 |
-1.7 |
0.383 |
1 |
0 |
0 |
0.000 |
9 |
15 |
|
[A2G]C:505 |
13 |
1 |
356 |
f |
C |
x,y,z |
1_555 |
28 |
10 |
19985 |
169.1 |
3.7 |
0.197 |
1 |
0 |
0 |
0.000 |
10 |
16 |
|
[A2G]D:505 |
13 |
1 |
358 |
f |
D |
x,y,z |
1_555 |
21 |
6 |
20128 |
163.7 |
4.1 |
0.258 |
1 |
0 |
0 |
0.000 |
11 |
17 |
|
[A2G]A:505 |
13 |
1 |
359 |
f |
A |
x,y,z |
1_555 |
23 |
7 |
20212 |
162.7 |
3.0 |
0.166 |
1 |
0 |
0 |
0.000 |
12 |
18 |
|
[A2G]B:505 |
13 |
1 |
354 |
f |
B |
x,y,z |
1_555 |
20 |
7 |
20196 |
160.7 |
3.8 |
0.189 |
1 |
0 |
0 |
0.000 |
13 |
19 |
|
B |
17 |
7 |
20196 |
◊ |
A |
x,y,z |
1_555 |
15 |
5 |
20212 |
137.6 |
-0.8 |
0.466 |
2 |
0 |
0 |
0.000 |
14 |
20 |
|
[NAG]A:503 |
10 |
1 |
362 |
f |
A |
x,y,z |
1_555 |
20 |
8 |
20212 |
136.8 |
3.6 |
0.440 |
2 |
0 |
0 |
0.000 |
21 |
|
[NAG]B:503 |
11 |
1 |
362 |
f |
B |
x,y,z |
1_555 |
21 |
9 |
20196 |
134.1 |
2.9 |
0.338 |
1 |
0 |
0 |
0.000 |
22 |
|
[NAG]D:503 |
10 |
1 |
366 |
f |
D |
x,y,z |
1_555 |
17 |
8 |
20128 |
131.2 |
2.7 |
0.365 |
2 |
0 |
0 |
0.000 |
Average: |
134.0 |
3.0 |
0.381 |
2 |
0 |
0 |
0.000 |
15 |
23 |
|
E |
16 |
6 |
6088 |
◊ |
B |
x,y,z |
1_555 |
13 |
3 |
20196 |
135.1 |
-0.8 |
0.439 |
3 |
0 |
0 |
0.000 |
16 |
24 |
|
[FUC]D:506 |
10 |
1 |
280 |
f |
D |
x,y,z |
1_555 |
26 |
11 |
20128 |
132.6 |
2.9 |
0.409 |
6 |
0 |
0 |
0.000 |
17 |
25 |
|
[FUC]B:506 |
10 |
1 |
281 |
f |
B |
x,y,z |
1_555 |
26 |
11 |
20196 |
127.9 |
2.5 |
0.414 |
5 |
0 |
0 |
0.000 |
26 |
|
[FUC]A:506 |
10 |
1 |
282 |
f |
A |
x,y,z |
1_555 |
25 |
11 |
20212 |
126.6 |
2.7 |
0.427 |
5 |
0 |
0 |
0.000 |
27 |
|
[FUC]C:506 |
10 |
1 |
280 |
f |
C |
x,y,z |
1_555 |
27 |
10 |
19985 |
126.0 |
2.7 |
0.424 |
5 |
0 |
0 |
0.000 |
Average: |
126.9 |
2.6 |
0.422 |
5 |
0 |
0 |
0.000 |
18 |
28 |
|
[NAG]C:503 |
13 |
1 |
354 |
f |
C |
x,y,z |
1_555 |
18 |
7 |
19985 |
127.6 |
2.9 |
0.242 |
1 |
0 |
0 |
0.000 |
19 |
29 |
|
[GAL]A:502 |
10 |
1 |
290 |
f |
A |
x,y,z |
1_555 |
12 |
7 |
20212 |
85.1 |
1.1 |
0.149 |
1 |
0 |
0 |
0.000 |
20 |
30 |
|
[GAL]B:502 |
8 |
1 |
291 |
f |
B |
x,y,z |
1_555 |
12 |
5 |
20196 |
84.3 |
0.8 |
0.178 |
2 |
0 |
0 |
0.086 |
31 |
|
[GAL]C:502 |
6 |
1 |
292 |
f |
C |
x,y,z |
1_555 |
11 |
6 |
19985 |
76.7 |
1.2 |
0.324 |
3 |
0 |
0 |
0.086 |
Average: |
80.5 |
1.0 |
0.251 |
3 |
0 |
0 |
0.086 |
21 |
32 |
|
F |
13 |
4 |
6301 |
◊ |
D |
-x+2,y-1/2,-z+3 |
2_748 |
8 |
3 |
20128 |
80.3 |
2.0 |
0.889 |
2 |
1 |
0 |
0.000 |
33 |
|
E |
8 |
3 |
6088 |
◊ |
C |
-x+2,y-1/2,-z+3 |
2_748 |
10 |
3 |
19985 |
59.8 |
1.0 |
0.789 |
1 |
1 |
0 |
0.000 |
34 |
|
A |
8 |
3 |
20212 |
◊ |
G |
-x+2,y-1/2,-z+3 |
2_748 |
11 |
5 |
6081 |
55.7 |
0.9 |
0.779 |
0 |
0 |
0 |
0.000 |
35 |
|
B |
7 |
3 |
20196 |
◊ |
H |
-x+2,y-1/2,-z+3 |
2_748 |
9 |
3 |
5952 |
52.8 |
1.4 |
0.855 |
1 |
1 |
0 |
0.000 |
Average: |
62.2 |
1.3 |
0.828 |
1 |
1 |
0 |
0.000 |
22 |
36 |
|
[GAL]D:502 |
7 |
1 |
293 |
f |
D |
x,y,z |
1_555 |
9 |
6 |
20128 |
73.2 |
0.4 |
0.200 |
2 |
0 |
0 |
0.112 |
23 |
37 |
|
A |
8 |
3 |
20212 |
◊ |
B |
-x+2,y-1/2,-z+3 |
2_748 |
6 |
3 |
20196 |
72.0 |
0.7 |
0.714 |
0 |
0 |
0 |
0.000 |
24 |
38 |
|
[NAG]C:503 |
7 |
1 |
354 |
cf |
[GAL]C:504 |
x,y,z |
1_555 |
6 |
1 |
293 |
69.0 |
1.5 |
0.098 |
0 |
0 |
0 |
0.000 |
25 |
39 |
|
[NAG]D:503 |
7 |
1 |
366 |
cf |
[GAL]D:504 |
x,y,z |
1_555 |
8 |
1 |
290 |
68.0 |
2.5 |
0.124 |
0 |
0 |
0 |
0.000 |
26 |
40 |
|
[NAG]A:503 |
7 |
1 |
362 |
cf |
[GAL]A:504 |
x,y,z |
1_555 |
7 |
1 |
290 |
66.8 |
2.0 |
0.117 |
0 |
0 |
0 |
0.000 |
41 |
|
[NAG]B:503 |
7 |
1 |
362 |
cf |
[GAL]B:504 |
x,y,z |
1_555 |
6 |
1 |
292 |
62.6 |
1.9 |
0.128 |
0 |
0 |
0 |
0.000 |
Average: |
64.7 |
2.0 |
0.122 |
0 |
0 |
0 |
0.000 |
27 |
42 |
|
[A2G]C:505 |
8 |
1 |
356 |
cf |
[GAL]C:504 |
x,y,z |
1_555 |
5 |
1 |
293 |
66.3 |
2.6 |
0.126 |
0 |
0 |
0 |
0.000 |
28 |
43 |
|
[A2G]A:505 |
9 |
1 |
359 |
cf |
[GAL]A:504 |
x,y,z |
1_555 |
6 |
1 |
290 |
66.2 |
2.4 |
0.087 |
0 |
0 |
0 |
0.000 |
44 |
|
[A2G]B:505 |
9 |
1 |
354 |
cf |
[GAL]B:504 |
x,y,z |
1_555 |
5 |
1 |
292 |
62.4 |
2.5 |
0.123 |
0 |
0 |
0 |
0.000 |
Average: |
64.3 |
2.5 |
0.105 |
0 |
0 |
0 |
0.000 |
29 |
45 |
|
[NAG]A:503 |
8 |
1 |
362 |
cf |
[GAL]A:502 |
x,y,z |
1_555 |
6 |
1 |
290 |
65.1 |
2.7 |
0.145 |
1 |
0 |
0 |
0.000 |
30 |
46 |
|
[NAG]B:503 |
7 |
1 |
362 |
cf |
[GAL]B:502 |
x,y,z |
1_555 |
6 |
1 |
291 |
65.0 |
2.6 |
0.180 |
1 |
0 |
0 |
0.000 |
47 |
|
[NAG]C:503 |
7 |
1 |
354 |
cf |
[GAL]C:502 |
x,y,z |
1_555 |
5 |
1 |
292 |
61.9 |
2.6 |
0.206 |
1 |
0 |
0 |
0.000 |
Average: |
63.5 |
2.6 |
0.193 |
1 |
0 |
0 |
0.000 |
31 |
48 |
|
[NAG]D:503 |
9 |
1 |
366 |
cf |
[GAL]D:502 |
x,y,z |
1_555 |
6 |
1 |
293 |
64.4 |
2.3 |
0.126 |
0 |
0 |
0 |
0.000 |
32 |
49 |
|
[A2G]D:505 |
10 |
1 |
358 |
cf |
[GAL]D:504 |
x,y,z |
1_555 |
5 |
1 |
290 |
64.3 |
2.6 |
0.082 |
0 |
0 |
0 |
0.000 |
33 |
50 |
|
[GAL]C:502 |
5 |
1 |
292 |
cf |
[BGC]C:501 |
x,y,z |
1_555 |
5 |
1 |
306 |
62.2 |
1.4 |
0.187 |
0 |
0 |
0 |
0.000 |
34 |
51 |
|
[GAL]D:502 |
7 |
1 |
293 |
cf |
[BGC]D:501 |
x,y,z |
1_555 |
6 |
1 |
301 |
61.9 |
1.8 |
0.136 |
0 |
0 |
0 |
0.000 |
35 |
52 |
|
[GAL]A:502 |
7 |
1 |
290 |
cf |
[BGC]A:501 |
x,y,z |
1_555 |
4 |
1 |
309 |
58.5 |
1.5 |
0.132 |
0 |
0 |
0 |
0.000 |
36 |
53 |
|
[GAL]B:502 |
7 |
1 |
291 |
cf |
[BGC]B:501 |
x,y,z |
1_555 |
5 |
1 |
306 |
58.2 |
1.4 |
0.131 |
0 |
0 |
0 |
0.000 |
37 |
54 |
|
[FUC]A:506 |
7 |
1 |
282 |
f |
[NAG]A:503 |
x,y,z |
1_555 |
8 |
1 |
362 |
56.4 |
2.7 |
0.157 |
0 |
0 |
0 |
0.000 |
55 |
|
[FUC]C:506 |
7 |
1 |
280 |
f |
[NAG]C:503 |
x,y,z |
1_555 |
7 |
1 |
354 |
54.9 |
3.3 |
0.239 |
0 |
0 |
0 |
0.000 |
56 |
|
[FUC]B:506 |
7 |
1 |
281 |
f |
[NAG]B:503 |
x,y,z |
1_555 |
7 |
1 |
362 |
54.3 |
2.7 |
0.220 |
0 |
0 |
0 |
0.000 |
57 |
|
[FUC]D:506 |
7 |
1 |
280 |
f |
[NAG]D:503 |
x,y,z |
1_555 |
7 |
1 |
366 |
51.1 |
2.4 |
0.154 |
0 |
0 |
0 |
0.000 |
Average: |
54.2 |
2.8 |
0.192 |
0 |
0 |
0 |
0.000 |
38 |
58 |
|
[FUC]A:506 |
7 |
1 |
282 |
cf |
[GAL]A:504 |
x,y,z |
1_555 |
5 |
1 |
290 |
51.3 |
2.2 |
0.221 |
0 |
0 |
0 |
0.000 |
39 |
59 |
|
[FUC]B:506 |
6 |
1 |
281 |
cf |
[GAL]B:504 |
x,y,z |
1_555 |
5 |
1 |
292 |
51.2 |
2.2 |
0.328 |
0 |
0 |
0 |
0.000 |
60 |
|
[FUC]D:506 |
6 |
1 |
280 |
cf |
[GAL]D:504 |
x,y,z |
1_555 |
5 |
1 |
290 |
50.4 |
2.2 |
0.247 |
0 |
0 |
0 |
0.000 |
Average: |
50.8 |
2.2 |
0.287 |
0 |
0 |
0 |
0.000 |
40 |
61 |
|
[FUC]C:506 |
6 |
1 |
280 |
cf |
[GAL]C:504 |
x,y,z |
1_555 |
5 |
1 |
293 |
49.7 |
2.2 |
0.301 |
0 |
0 |
0 |
0.000 |
41 |
62 |
|
D |
6 |
2 |
20128 |
◊ |
B |
-x+2,y-1/2,-z+3 |
2_748 |
7 |
2 |
20196 |
47.1 |
0.3 |
0.658 |
0 |
0 |
0 |
0.000 |
42 |
63 |
|
[FUC]C:506 |
3 |
1 |
280 |
f |
[A2G]C:505 |
x,y,z |
1_555 |
7 |
1 |
356 |
42.5 |
2.1 |
0.155 |
1 |
0 |
0 |
0.000 |
43 |
64 |
|
[GAL]C:504 |
5 |
1 |
293 |
f |
C |
x,y,z |
1_555 |
6 |
4 |
19985 |
40.1 |
0.9 |
0.332 |
0 |
0 |
0 |
0.000 |
44 |
65 |
|
[FUC]A:506 |
3 |
1 |
282 |
f |
[A2G]A:505 |
x,y,z |
1_555 |
7 |
1 |
359 |
39.2 |
2.0 |
0.164 |
1 |
0 |
0 |
0.000 |
66 |
|
[FUC]B:506 |
3 |
1 |
281 |
f |
[A2G]B:505 |
x,y,z |
1_555 |
7 |
1 |
354 |
38.4 |
2.0 |
0.168 |
0 |
0 |
0 |
0.000 |
Average: |
38.8 |
2.0 |
0.166 |
1 |
0 |
0 |
0.000 |
45 |
67 |
|
[FUC]D:506 |
3 |
1 |
280 |
f |
[A2G]D:505 |
x,y,z |
1_555 |
7 |
1 |
358 |
37.1 |
2.0 |
0.151 |
0 |
0 |
0 |
0.000 |
46 |
68 |
|
[GAL]B:504 |
6 |
1 |
292 |
f |
B |
x,y,z |
1_555 |
6 |
4 |
20196 |
33.6 |
1.1 |
0.349 |
0 |
0 |
0 |
0.000 |
69 |
|
[GAL]D:504 |
5 |
1 |
290 |
f |
D |
x,y,z |
1_555 |
7 |
5 |
20128 |
33.2 |
0.9 |
0.313 |
0 |
0 |
0 |
0.000 |
Average: |
33.4 |
1.0 |
0.331 |
0 |
0 |
0 |
0.000 |
47 |
70 |
|
[GAL]A:504 |
5 |
1 |
290 |
f |
A |
x,y,z |
1_555 |
6 |
4 |
20212 |
31.9 |
0.9 |
0.329 |
0 |
0 |
0 |
0.000 |
48 |
71 |
|
D |
5 |
2 |
20128 |
◊ |
C |
x,y,z |
1_555 |
6 |
2 |
19985 |
26.6 |
0.6 |
0.761 |
0 |
0 |
0 |
0.000 |
49 |
72 |
|
C |
9 |
3 |
19985 |
◊ |
D |
x-1,y,z |
1_455 |
3 |
2 |
20128 |
25.2 |
0.4 |
0.735 |
0 |
0 |
0 |
0.000 |
50 |
73 |
|
C |
1 |
1 |
19985 |
◊ |
A |
-x+2,y-1/2,-z+3 |
2_748 |
3 |
1 |
20212 |
23.8 |
1.6 |
0.959 |
0 |
0 |
0 |
0.000 |
51 |
74 |
|
[NAG]C:503 |
4 |
1 |
354 |
f |
[BGC]C:501 |
x,y,z |
1_555 |
3 |
1 |
306 |
21.4 |
0.2 |
0.113 |
0 |
0 |
0 |
0.000 |
52 |
75 |
|
[BGC]C:501 |
3 |
1 |
306 |
f |
C |
x,y,z |
1_555 |
3 |
1 |
19985 |
20.3 |
0.3 |
0.440 |
1 |
0 |
0 |
0.102 |
53 |
76 |
|
[NAG]A:503 |
4 |
1 |
362 |
f |
[BGC]A:501 |
x,y,z |
1_555 |
2 |
1 |
309 |
17.0 |
0.1 |
0.160 |
0 |
0 |
0 |
0.000 |
54 |
77 |
|
[A2G]A:505 |
1 |
1 |
359 |
◊ |
D |
x,y,z |
1_555 |
5 |
2 |
20128 |
15.6 |
0.6 |
0.724 |
0 |
0 |
0 |
0.000 |
55 |
78 |
|
A |
1 |
1 |
20212 |
◊ |
H |
-x+3,y-1/2,-z+3 |
2_848 |
3 |
1 |
5952 |
13.3 |
0.5 |
0.720 |
0 |
0 |
0 |
0.000 |
56 |
79 |
|
[NAG]D:503 |
3 |
1 |
366 |
f |
[BGC]D:501 |
x,y,z |
1_555 |
2 |
1 |
301 |
11.4 |
0.6 |
0.245 |
0 |
0 |
0 |
0.000 |
57 |
80 |
|
[BGC]A:501 |
2 |
1 |
309 |
f |
A |
x,y,z |
1_555 |
2 |
2 |
20212 |
10.1 |
0.1 |
0.344 |
0 |
0 |
0 |
0.000 |
58 |
81 |
|
[NAG]B:503 |
4 |
1 |
362 |
f |
[BGC]B:501 |
x,y,z |
1_555 |
1 |
1 |
306 |
9.9 |
0.1 |
0.185 |
0 |
0 |
0 |
0.000 |
59 |
82 |
|
[GAL]A:504 |
1 |
1 |
290 |
f |
[GAL]A:502 |
x,y,z |
1_555 |
2 |
1 |
290 |
5.5 |
0.2 |
0.219 |
0 |
0 |
0 |
0.000 |
60 |
83 |
|
E |
2 |
2 |
6088 |
◊ |
D |
x,y,z-1 |
1_554 |
2 |
2 |
20128 |
4.0 |
-0.0 |
0.575 |
0 |
0 |
0 |
0.000 |
61 |
84 |
|
[GAL]D:504 |
1 |
1 |
290 |
f |
[GAL]D:502 |
x,y,z |
1_555 |
1 |
1 |
293 |
3.1 |
0.1 |
0.182 |
0 |
0 |
0 |
0.000 |
62 |
85 |
|
[GAL]C:504 |
1 |
1 |
293 |
f |
[GAL]C:502 |
x,y,z |
1_555 |
2 |
1 |
292 |
2.6 |
0.1 |
0.219 |
0 |
0 |
0 |
0.000 |
63 |
86 |
|
[GAL]B:504 |
1 |
1 |
292 |
f |
[GAL]B:502 |
x,y,z |
1_555 |
2 |
1 |
291 |
2.5 |
0.1 |
0.190 |
0 |
0 |
0 |
0.000 |
64 |
87 |
|
[FUC]A:506 |
2 |
1 |
282 |
f |
[GAL]A:502 |
x,y,z |
1_555 |
1 |
1 |
290 |
2.1 |
0.1 |
0.226 |
0 |
0 |
0 |
0.000 |
65 |
88 |
|
[A2G]A:505 |
1 |
1 |
359 |
f |
[NAG]A:503 |
x,y,z |
1_555 |
1 |
1 |
362 |
1.5 |
0.1 |
0.143 |
0 |
0 |
0 |
0.000 |
66 |
89 |
|
[A2G]C:505 |
1 |
1 |
356 |
f |
[NAG]C:503 |
x,y,z |
1_555 |
1 |
1 |
354 |
1.0 |
0.0 |
0.101 |
0 |
0 |
0 |
0.000 |
67 |
90 |
|
[FUC]B:506 |
1 |
1 |
281 |
f |
[GAL]B:502 |
x,y,z |
1_555 |
1 |
1 |
291 |
0.5 |
0.0 |
0.191 |
0 |
0 |
0 |
0.000 |
68 |
91 |
|
[A2G]D:505 |
1 |
1 |
358 |
f |
[NAG]D:503 |
x,y,z |
1_555 |
1 |
1 |
366 |
0.5 |
0.0 |
0.143 |
0 |
0 |
0 |
0.000 |
|