## |
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 |
221 |
66 |
12989 |
◊ |
G |
x,y,z |
1_555 |
222 |
62 |
12082 |
2034.6 |
-24.8 |
0.093 |
25 |
7 |
1 |
0.745 |
2 |
|
D |
223 |
66 |
13081 |
◊ |
C |
x,y,z |
1_555 |
222 |
62 |
12108 |
2031.4 |
-26.4 |
0.058 |
24 |
7 |
1 |
0.745 |
Average: |
2033.0 |
-25.6 |
0.076 |
25 |
7 |
1 |
0.745 |
2 |
3 |
|
B |
115 |
27 |
6250 |
◊ |
A |
x,y,z |
1_555 |
128 |
39 |
15370 |
1160.1 |
-16.3 |
0.123 |
12 |
5 |
0 |
0.874 |
4 |
|
F |
113 |
27 |
6271 |
◊ |
E |
x,y,z |
1_555 |
126 |
38 |
15477 |
1158.4 |
-15.8 |
0.123 |
12 |
5 |
0 |
0.874 |
Average: |
1159.3 |
-16.1 |
0.123 |
12 |
5 |
0 |
0.874 |
3 |
5 |
|
[JUD]E:311 |
63 |
1 |
1556 |
f |
E |
x,y,z |
1_555 |
141 |
52 |
15477 |
1094.0 |
-25.3 |
0.064 |
4 |
0 |
0 |
1.000 |
6 |
|
[JUD]A:308 |
62 |
1 |
1566 |
f |
A |
x,y,z |
1_555 |
141 |
52 |
15370 |
1093.3 |
-25.5 |
0.064 |
4 |
0 |
0 |
1.000 |
Average: |
1093.6 |
-25.4 |
0.064 |
4 |
0 |
0 |
1.000 |
4 |
7 |
|
G |
64 |
18 |
12082 |
◊ |
G |
-x-3,y,-z+2 |
2_257 |
63 |
18 |
12082 |
601.7 |
0.5 |
0.831 |
14 |
6 |
0 |
0.000 |
8 |
|
C |
62 |
18 |
12108 |
◊ |
C |
-x-2,y,-z+3 |
2_358 |
61 |
18 |
12108 |
580.0 |
0.8 |
0.825 |
16 |
6 |
0 |
0.000 |
Average: |
590.8 |
0.6 |
0.828 |
15 |
6 |
0 |
0.000 |
5 |
9 |
|
E |
50 |
12 |
15477 |
◊ |
D |
x,y,z |
1_555 |
50 |
15 |
13081 |
439.5 |
-1.2 |
0.641 |
5 |
4 |
0 |
0.000 |
10 |
|
H |
48 |
14 |
12989 |
◊ |
A |
x-1,y,z |
1_455 |
48 |
12 |
15370 |
428.4 |
-1.1 |
0.641 |
5 |
4 |
0 |
0.000 |
Average: |
434.0 |
-1.1 |
0.641 |
5 |
4 |
0 |
0.000 |
6 |
11 |
|
A |
48 |
16 |
15370 |
◊ |
C |
x,y,z |
1_555 |
40 |
12 |
12108 |
429.8 |
-0.9 |
0.686 |
6 |
8 |
0 |
0.050 |
12 |
|
E |
48 |
16 |
15477 |
◊ |
G |
x,y,z |
1_555 |
40 |
12 |
12082 |
423.1 |
-0.9 |
0.695 |
5 |
6 |
0 |
0.050 |
Average: |
426.4 |
-0.9 |
0.691 |
6 |
7 |
0 |
0.050 |
7 |
13 |
|
E |
38 |
10 |
15477 |
◊ |
H |
x,y,z |
1_555 |
39 |
10 |
12989 |
329.5 |
-2.3 |
0.502 |
4 |
1 |
0 |
0.043 |
14 |
|
A |
36 |
9 |
15370 |
◊ |
D |
x,y,z |
1_555 |
38 |
10 |
13081 |
326.3 |
-2.2 |
0.505 |
4 |
1 |
0 |
0.043 |
Average: |
327.9 |
-2.2 |
0.503 |
4 |
1 |
0 |
0.043 |
8 |
15 |
|
C |
28 |
10 |
12108 |
◊ |
B |
x-1,y,z |
1_455 |
28 |
8 |
6250 |
248.6 |
-2.2 |
0.335 |
0 |
0 |
0 |
0.000 |
16 |
|
G |
29 |
10 |
12082 |
◊ |
F |
x-1,y,z |
1_455 |
28 |
8 |
6271 |
239.9 |
-1.7 |
0.374 |
0 |
0 |
0 |
0.000 |
Average: |
244.2 |
-2.0 |
0.354 |
0 |
0 |
0 |
0.000 |
9 |
17 |
|
[JUD]A:308 |
18 |
1 |
1566 |
◊ |
C |
x,y,z |
1_555 |
28 |
11 |
12108 |
204.0 |
-0.3 |
0.782 |
3 |
0 |
0 |
0.017 |
18 |
|
[JUD]E:311 |
19 |
1 |
1556 |
◊ |
G |
x,y,z |
1_555 |
29 |
11 |
12082 |
199.3 |
-0.4 |
0.797 |
2 |
0 |
0 |
0.017 |
Average: |
201.7 |
-0.3 |
0.790 |
3 |
0 |
0 |
0.017 |
10 |
19 |
|
D |
17 |
5 |
13081 |
◊ |
A |
x-1/2,y-1/2,z |
3_445 |
23 |
8 |
15370 |
165.0 |
-1.3 |
0.491 |
0 |
0 |
0 |
0.000 |
20 |
|
H |
13 |
3 |
12989 |
◊ |
E |
x-1/2,y+1/2,z |
3_455 |
20 |
7 |
15477 |
147.7 |
-1.4 |
0.455 |
0 |
0 |
0 |
0.000 |
Average: |
156.4 |
-1.3 |
0.473 |
0 |
0 |
0 |
0.000 |
11 |
21 |
|
[FUC]E:307 |
10 |
1 |
282 |
f |
E |
x,y,z |
1_555 |
29 |
9 |
15477 |
160.5 |
2.9 |
0.443 |
2 |
0 |
0 |
0.000 |
22 |
|
[FUC]A:306 |
10 |
1 |
280 |
f |
A |
x,y,z |
1_555 |
29 |
9 |
15370 |
159.5 |
2.8 |
0.445 |
2 |
0 |
0 |
0.000 |
Average: |
160.0 |
2.8 |
0.444 |
2 |
0 |
0 |
0.000 |
12 |
23 |
|
[NAG]E:305 |
12 |
1 |
364 |
cf |
E |
x,y,z |
1_555 |
23 |
7 |
15477 |
146.8 |
3.4 |
0.383 |
2 |
0 |
0 |
0.000 |
24 |
|
[NAG]A:304 |
12 |
1 |
364 |
cf |
A |
x,y,z |
1_555 |
23 |
7 |
15370 |
145.6 |
3.3 |
0.365 |
2 |
0 |
0 |
0.000 |
Average: |
146.2 |
3.3 |
0.374 |
2 |
0 |
0 |
0.000 |
13 |
25 |
|
[GOL]E:310 |
6 |
1 |
220 |
f |
E |
x,y,z |
1_555 |
25 |
9 |
15477 |
145.5 |
-1.0 |
0.524 |
4 |
0 |
0 |
0.111 |
14 |
26 |
|
[NAG]A:302 |
11 |
1 |
362 |
cf |
A |
x,y,z |
1_555 |
20 |
7 |
15370 |
137.6 |
5.5 |
0.569 |
1 |
0 |
0 |
0.000 |
27 |
|
[NAG]E:303 |
11 |
1 |
362 |
cf |
E |
x,y,z |
1_555 |
19 |
7 |
15477 |
132.8 |
5.3 |
0.551 |
1 |
0 |
0 |
0.000 |
Average: |
135.2 |
5.4 |
0.560 |
1 |
0 |
0 |
0.000 |
15 |
28 |
|
E |
13 |
6 |
15477 |
◊ |
A |
x-1/2,y-1/2,z |
3_445 |
16 |
7 |
15370 |
122.5 |
0.3 |
0.734 |
1 |
3 |
0 |
0.000 |
16 |
29 |
|
H |
12 |
7 |
12989 |
◊ |
D |
x,y,z |
1_555 |
12 |
5 |
13081 |
116.1 |
2.8 |
0.904 |
4 |
3 |
0 |
0.000 |
30 |
|
H |
12 |
5 |
12989 |
◊ |
D |
x-1,y,z |
1_455 |
11 |
7 |
13081 |
113.6 |
2.8 |
0.908 |
4 |
3 |
0 |
0.000 |
Average: |
114.9 |
2.8 |
0.906 |
4 |
3 |
0 |
0.000 |
17 |
31 |
|
[NAG]A:301 |
12 |
1 |
363 |
cf |
A |
x,y,z |
1_555 |
16 |
4 |
15370 |
109.9 |
2.6 |
0.306 |
0 |
0 |
0 |
0.000 |
32 |
|
[NAG]E:301 |
12 |
1 |
360 |
cf |
E |
x,y,z |
1_555 |
16 |
4 |
15477 |
106.9 |
2.5 |
0.307 |
0 |
0 |
0 |
0.000 |
Average: |
108.4 |
2.6 |
0.306 |
0 |
0 |
0 |
0.000 |
18 |
33 |
|
E |
15 |
7 |
15477 |
◊ |
E |
-x-2,y,-z+2 |
2_357 |
15 |
7 |
15477 |
98.9 |
0.1 |
0.714 |
0 |
0 |
0 |
0.000 |
34 |
|
A |
14 |
6 |
15370 |
◊ |
A |
-x-1,y,-z+3 |
2_458 |
14 |
6 |
15370 |
92.9 |
0.2 |
0.718 |
0 |
0 |
0 |
0.000 |
Average: |
95.9 |
0.1 |
0.716 |
0 |
0 |
0 |
0.000 |
19 |
35 |
|
[GOL]H:301 |
6 |
1 |
219 |
f |
H |
x,y,z |
1_555 |
11 |
5 |
12989 |
88.4 |
-0.1 |
0.533 |
3 |
0 |
0 |
0.022 |
20 |
36 |
|
[GOL]C:301 |
6 |
1 |
221 |
f |
D |
x,y,z |
1_555 |
12 |
4 |
13081 |
81.4 |
-0.4 |
0.493 |
2 |
0 |
0 |
0.022 |
21 |
37 |
|
[NAG]A:305 |
8 |
1 |
361 |
f |
A |
x,y,z |
1_555 |
11 |
3 |
15370 |
80.8 |
0.9 |
0.221 |
0 |
0 |
0 |
0.000 |
38 |
|
[NAG]E:306 |
9 |
1 |
358 |
f |
E |
x,y,z |
1_555 |
10 |
4 |
15477 |
80.6 |
0.7 |
0.156 |
0 |
0 |
0 |
0.000 |
Average: |
80.7 |
0.8 |
0.188 |
0 |
0 |
0 |
0.000 |
22 |
39 |
|
[GOL]C:301 |
5 |
1 |
221 |
◊ |
C |
x,y,z |
1_555 |
11 |
4 |
12108 |
76.9 |
-0.7 |
0.453 |
0 |
0 |
0 |
0.012 |
23 |
40 |
|
[NAG]A:303 |
9 |
1 |
363 |
cf |
[NAG]A:302 |
x,y,z |
1_555 |
7 |
1 |
362 |
74.2 |
1.7 |
0.091 |
1 |
0 |
0 |
0.000 |
41 |
|
[NAG]E:304 |
10 |
1 |
365 |
cf |
[NAG]E:303 |
x,y,z |
1_555 |
8 |
1 |
362 |
72.9 |
1.6 |
0.066 |
0 |
0 |
0 |
0.000 |
Average: |
73.5 |
1.6 |
0.078 |
1 |
0 |
0 |
0.000 |
24 |
42 |
|
[NAG]E:306 |
10 |
1 |
358 |
cf |
[NAG]E:305 |
x,y,z |
1_555 |
6 |
1 |
364 |
72.4 |
2.0 |
0.094 |
1 |
0 |
0 |
0.000 |
43 |
|
[NAG]A:305 |
10 |
1 |
361 |
cf |
[NAG]A:304 |
x,y,z |
1_555 |
5 |
1 |
364 |
70.7 |
1.7 |
0.099 |
0 |
0 |
0 |
0.000 |
Average: |
71.5 |
1.8 |
0.096 |
1 |
0 |
0 |
0.000 |
25 |
44 |
|
[NAG]E:302 |
9 |
1 |
366 |
cf |
[NAG]E:301 |
x,y,z |
1_555 |
6 |
1 |
360 |
70.2 |
1.6 |
0.096 |
0 |
0 |
0 |
0.000 |
26 |
45 |
|
H |
9 |
5 |
12989 |
◊ |
G |
-x-3,y,-z+2 |
2_257 |
10 |
4 |
12082 |
65.8 |
0.2 |
0.688 |
0 |
0 |
0 |
0.000 |
46 |
|
D |
9 |
6 |
13081 |
◊ |
C |
-x-2,y,-z+3 |
2_358 |
8 |
4 |
12108 |
64.0 |
0.3 |
0.684 |
0 |
0 |
0 |
0.000 |
Average: |
64.9 |
0.3 |
0.686 |
0 |
0 |
0 |
0.000 |
27 |
47 |
|
[NA]D:301 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
7 |
5 |
13081 |
64.3 |
-12.4 |
0.000 |
0 |
0 |
0 |
0.220 |
48 |
|
[NA]H:303 |
1 |
1 |
125 |
f |
H |
x,y,z |
1_555 |
7 |
5 |
12989 |
64.1 |
-12.4 |
0.000 |
0 |
0 |
0 |
0.220 |
Average: |
64.2 |
-12.4 |
0.000 |
0 |
0 |
0 |
0.220 |
28 |
49 |
|
[NA]H:302 |
1 |
1 |
125 |
f |
H |
x,y,z |
1_555 |
11 |
5 |
12989 |
63.7 |
-8.5 |
0.000 |
0 |
0 |
0 |
0.134 |
29 |
50 |
|
[BMA]A:307 |
6 |
1 |
292 |
cf |
[NAG]A:305 |
x,y,z |
1_555 |
6 |
1 |
361 |
61.4 |
1.3 |
0.122 |
1 |
0 |
0 |
0.000 |
51 |
|
[BMA]E:308 |
6 |
1 |
292 |
cf |
[NAG]E:306 |
x,y,z |
1_555 |
5 |
1 |
358 |
61.0 |
1.2 |
0.119 |
1 |
0 |
0 |
0.000 |
Average: |
61.2 |
1.3 |
0.121 |
1 |
0 |
0 |
0.000 |
30 |
52 |
|
[FUC]E:307 |
6 |
1 |
282 |
cf |
[NAG]E:305 |
x,y,z |
1_555 |
5 |
1 |
364 |
59.9 |
2.8 |
0.315 |
0 |
0 |
0 |
0.000 |
53 |
|
[FUC]A:306 |
6 |
1 |
280 |
cf |
[NAG]A:304 |
x,y,z |
1_555 |
5 |
1 |
364 |
59.3 |
2.8 |
0.315 |
0 |
0 |
0 |
0.000 |
Average: |
59.6 |
2.8 |
0.315 |
0 |
0 |
0 |
0.000 |
31 |
54 |
|
[MAN]E:309 |
6 |
1 |
290 |
cf |
[BMA]E:308 |
x,y,z |
1_555 |
5 |
1 |
292 |
58.7 |
2.4 |
0.260 |
0 |
0 |
0 |
0.000 |
32 |
55 |
|
[MAN]E:309 |
5 |
1 |
290 |
◊ |
E |
x-1,y,z |
1_455 |
7 |
1 |
15477 |
46.8 |
-0.1 |
0.260 |
0 |
0 |
0 |
0.000 |
33 |
56 |
|
[NAG]E:302 |
3 |
1 |
366 |
f |
E |
x,y,z |
1_555 |
4 |
1 |
15477 |
36.0 |
1.0 |
0.539 |
0 |
0 |
0 |
0.000 |
34 |
57 |
|
[GOL]H:301 |
3 |
1 |
219 |
◊ |
E |
x,y,z |
1_555 |
3 |
2 |
15477 |
32.8 |
0.3 |
0.644 |
1 |
0 |
0 |
0.000 |
35 |
58 |
|
B |
5 |
2 |
6250 |
◊ |
A |
-x-1,y,-z+3 |
2_458 |
2 |
1 |
15370 |
30.6 |
0.7 |
0.861 |
1 |
0 |
0 |
0.000 |
59 |
|
F |
5 |
2 |
6271 |
◊ |
E |
-x-2,y,-z+2 |
2_357 |
2 |
1 |
15477 |
29.1 |
0.7 |
0.859 |
1 |
0 |
0 |
0.000 |
Average: |
29.9 |
0.7 |
0.860 |
1 |
0 |
0 |
0.000 |
36 |
60 |
|
H |
3 |
1 |
12989 |
◊ |
B |
x-1,y,z |
1_455 |
3 |
1 |
6250 |
29.7 |
-0.2 |
0.450 |
0 |
0 |
0 |
0.000 |
61 |
|
F |
1 |
1 |
6271 |
◊ |
D |
x,y,z |
1_555 |
1 |
1 |
13081 |
6.1 |
-0.0 |
0.501 |
0 |
0 |
0 |
0.000 |
Average: |
17.9 |
-0.1 |
0.476 |
0 |
0 |
0 |
0.000 |
37 |
62 |
|
[FUC]E:307 |
2 |
1 |
282 |
f |
[NAG]E:306 |
x,y,z |
1_555 |
4 |
1 |
358 |
23.1 |
1.4 |
0.247 |
0 |
0 |
0 |
0.000 |
38 |
63 |
|
[FUC]A:306 |
2 |
1 |
280 |
f |
[NAG]A:305 |
x,y,z |
1_555 |
4 |
1 |
361 |
21.6 |
1.3 |
0.273 |
0 |
0 |
0 |
0.000 |
39 |
64 |
|
[NAG]A:303 |
2 |
1 |
363 |
f |
A |
x,y,z |
1_555 |
4 |
2 |
15370 |
21.0 |
0.4 |
0.467 |
0 |
0 |
0 |
0.000 |
65 |
|
[NAG]E:304 |
2 |
1 |
365 |
f |
E |
x,y,z |
1_555 |
4 |
2 |
15477 |
18.6 |
0.3 |
0.479 |
0 |
0 |
0 |
0.000 |
Average: |
19.8 |
0.4 |
0.473 |
0 |
0 |
0 |
0.000 |
40 |
66 |
|
[GOL]H:301 |
2 |
1 |
219 |
◊ |
G |
x,y,z |
1_555 |
3 |
2 |
12082 |
9.6 |
0.0 |
0.609 |
0 |
0 |
0 |
0.000 |
41 |
67 |
|
[MAN]E:309 |
2 |
1 |
290 |
f |
[NAG]E:306 |
x,y,z |
1_555 |
2 |
1 |
358 |
9.2 |
0.0 |
0.187 |
0 |
0 |
0 |
0.000 |
42 |
68 |
|
[NAG]E:303 |
1 |
1 |
362 |
f |
[NAG]E:302 |
x,y,z |
1_555 |
1 |
1 |
366 |
8.1 |
0.5 |
0.749 |
0 |
0 |
0 |
0.000 |
43 |
69 |
|
[GOL]E:310 |
2 |
1 |
220 |
◊ |
F |
x,y,z |
1_555 |
2 |
1 |
6271 |
5.6 |
0.1 |
0.634 |
0 |
0 |
0 |
0.000 |
44 |
70 |
|
F |
2 |
1 |
6271 |
◊ |
G |
-x-2,y,-z+2 |
2_357 |
1 |
1 |
12082 |
3.7 |
-0.1 |
0.450 |
0 |
0 |
0 |
0.000 |
71 |
|
B |
1 |
1 |
6250 |
◊ |
C |
-x-1,y,-z+3 |
2_458 |
1 |
1 |
12108 |
3.6 |
-0.1 |
0.400 |
0 |
0 |
0 |
0.000 |
Average: |
3.6 |
-0.1 |
0.425 |
0 |
0 |
0 |
0.000 |
45 |
72 |
|
G |
1 |
1 |
12082 |
◊ |
[NAG]E:302 |
x-1,y,z |
1_455 |
1 |
1 |
366 |
2.5 |
0.0 |
0.243 |
0 |
0 |
0 |
0.000 |
46 |
73 |
|
[BMA]E:308 |
1 |
1 |
292 |
◊ |
E |
x-1,y,z |
1_455 |
1 |
1 |
15477 |
0.7 |
-0.0 |
0.319 |
0 |
0 |
0 |
0.000 |
|