## |
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 |
|
E |
169 |
48 |
11877 |
◊ |
D |
x,y,z |
1_555 |
170 |
50 |
11835 |
1627.6 |
-15.4 |
0.068 |
17 |
4 |
1 |
0.256 |
2 |
|
B |
165 |
49 |
11704 |
◊ |
A |
x,y,z |
1_555 |
160 |
47 |
11613 |
1620.9 |
-16.1 |
0.073 |
20 |
2 |
1 |
0.256 |
Average: |
1624.3 |
-15.8 |
0.070 |
19 |
3 |
1 |
0.256 |
2 |
3 |
|
F |
94 |
29 |
6159 |
◊ |
E |
x,y,z |
1_555 |
76 |
19 |
11877 |
741.9 |
-4.5 |
0.528 |
16 |
3 |
0 |
0.695 |
4 |
|
C |
90 |
29 |
6260 |
◊ |
B |
x,y,z |
1_555 |
77 |
20 |
11704 |
728.3 |
-4.9 |
0.502 |
18 |
3 |
0 |
0.695 |
Average: |
735.1 |
-4.7 |
0.515 |
17 |
3 |
0 |
0.695 |
3 |
5 |
|
E |
41 |
12 |
11877 |
◊ |
B |
x-1,y,z |
1_455 |
35 |
12 |
11704 |
341.4 |
-2.3 |
0.438 |
4 |
1 |
0 |
0.000 |
6 |
|
E |
32 |
11 |
11877 |
◊ |
B |
x-1,y-1,z |
1_445 |
44 |
12 |
11704 |
339.2 |
-2.6 |
0.356 |
5 |
1 |
0 |
0.000 |
Average: |
340.3 |
-2.5 |
0.397 |
5 |
1 |
0 |
0.000 |
4 |
7 |
|
E |
37 |
10 |
11877 |
◊ |
D |
x-1,y,z |
1_455 |
41 |
14 |
11835 |
341.0 |
-1.2 |
0.512 |
3 |
0 |
0 |
0.000 |
8 |
|
A |
41 |
14 |
11613 |
◊ |
B |
x-1,y,z |
1_455 |
36 |
10 |
11704 |
337.0 |
-1.4 |
0.514 |
2 |
0 |
0 |
0.000 |
Average: |
339.0 |
-1.3 |
0.513 |
3 |
0 |
0 |
0.000 |
5 |
9 |
|
A |
35 |
10 |
11613 |
◊ |
D |
x,y,z-1 |
1_554 |
36 |
9 |
11835 |
330.0 |
-2.0 |
0.371 |
6 |
4 |
0 |
0.000 |
10 |
|
D |
35 |
11 |
11835 |
◊ |
A |
x,y-1,z+1 |
1_546 |
37 |
9 |
11613 |
329.4 |
-2.2 |
0.345 |
4 |
3 |
0 |
0.000 |
Average: |
329.7 |
-2.1 |
0.358 |
5 |
4 |
0 |
0.000 |
6 |
11 |
|
A |
31 |
8 |
11613 |
◊ |
C |
x-1,y,z |
1_455 |
23 |
11 |
6260 |
265.4 |
0.6 |
0.684 |
3 |
0 |
0 |
0.000 |
12 |
|
F |
22 |
12 |
6159 |
◊ |
D |
x-1,y,z |
1_455 |
34 |
9 |
11835 |
259.6 |
0.1 |
0.650 |
4 |
0 |
0 |
0.000 |
Average: |
262.5 |
0.3 |
0.667 |
4 |
0 |
0 |
0.000 |
7 |
13 |
|
C |
22 |
6 |
6260 |
◊ |
A |
x,y,z |
1_555 |
24 |
5 |
11613 |
194.1 |
-0.1 |
0.471 |
1 |
2 |
0 |
0.013 |
14 |
|
F |
23 |
6 |
6159 |
◊ |
D |
x,y,z |
1_555 |
23 |
5 |
11835 |
193.8 |
-0.9 |
0.429 |
1 |
2 |
0 |
0.013 |
Average: |
193.9 |
-0.5 |
0.450 |
1 |
2 |
0 |
0.013 |
8 |
15 |
|
[NAG]H:1 |
13 |
1 |
362 |
cf |
B |
x,y,z |
1_555 |
24 |
7 |
11704 |
163.0 |
4.5 |
0.464 |
1 |
0 |
0 |
0.000 |
16 |
|
[NAG]K:1 |
13 |
1 |
361 |
cf |
E |
x,y,z |
1_555 |
23 |
7 |
11877 |
161.2 |
4.7 |
0.473 |
1 |
0 |
0 |
0.000 |
Average: |
162.1 |
4.6 |
0.468 |
1 |
0 |
0 |
0.000 |
9 |
17 |
|
[NAG]L:1 |
13 |
1 |
363 |
cf |
E |
x,y,z |
1_555 |
16 |
8 |
11877 |
157.8 |
3.3 |
0.306 |
1 |
0 |
0 |
0.000 |
18 |
|
[NAG]I:1 |
13 |
1 |
364 |
cf |
B |
x,y,z |
1_555 |
17 |
8 |
11704 |
157.3 |
3.4 |
0.321 |
1 |
0 |
0 |
0.000 |
Average: |
157.5 |
3.3 |
0.313 |
1 |
0 |
0 |
0.000 |
10 |
19 |
|
[NAG]J:1 |
11 |
1 |
365 |
cf |
D |
x,y,z |
1_555 |
15 |
6 |
11835 |
116.0 |
3.9 |
0.419 |
1 |
0 |
0 |
0.000 |
20 |
|
[NAG]G:1 |
10 |
1 |
364 |
cf |
A |
x,y,z |
1_555 |
14 |
6 |
11613 |
111.4 |
3.6 |
0.445 |
1 |
0 |
0 |
0.000 |
Average: |
113.7 |
3.8 |
0.432 |
1 |
0 |
0 |
0.000 |
11 |
21 |
|
[NAG]I:2 |
10 |
1 |
356 |
f |
B |
x,y,z |
1_555 |
11 |
3 |
11704 |
99.2 |
0.8 |
0.127 |
0 |
0 |
0 |
0.000 |
22 |
|
[NAG]L:2 |
10 |
1 |
354 |
f |
E |
x,y,z |
1_555 |
10 |
3 |
11877 |
97.0 |
0.7 |
0.110 |
0 |
0 |
0 |
0.000 |
Average: |
98.1 |
0.8 |
0.119 |
0 |
0 |
0 |
0.000 |
12 |
23 |
|
F |
8 |
2 |
6159 |
◊ |
A |
x,y-1,z+1 |
1_546 |
13 |
5 |
11613 |
85.0 |
0.6 |
0.728 |
2 |
0 |
0 |
0.000 |
24 |
|
C |
8 |
2 |
6260 |
◊ |
D |
x,y,z-1 |
1_554 |
12 |
5 |
11835 |
79.4 |
0.1 |
0.635 |
1 |
0 |
0 |
0.000 |
Average: |
82.2 |
0.4 |
0.681 |
2 |
0 |
0 |
0.000 |
13 |
25 |
|
[NAG]L:1 |
6 |
1 |
363 |
◊ |
D |
x,y,z |
1_555 |
13 |
5 |
11835 |
81.8 |
2.2 |
0.446 |
0 |
0 |
0 |
0.000 |
26 |
|
[NAG]I:1 |
5 |
1 |
364 |
◊ |
A |
x,y,z |
1_555 |
13 |
5 |
11613 |
80.4 |
2.2 |
0.487 |
0 |
0 |
0 |
0.000 |
Average: |
81.1 |
2.2 |
0.467 |
0 |
0 |
0 |
0.000 |
14 |
27 |
|
[FUC]G:2 |
7 |
1 |
282 |
cf |
[NAG]G:1 |
x,y,z |
1_555 |
7 |
1 |
364 |
72.6 |
2.6 |
0.168 |
0 |
0 |
0 |
0.000 |
15 |
28 |
|
[FUC]J:2 |
7 |
1 |
282 |
cf |
[NAG]J:1 |
x,y,z |
1_555 |
7 |
1 |
365 |
72.0 |
2.6 |
0.133 |
0 |
0 |
0 |
0.000 |
16 |
29 |
|
[NAG]I:2 |
9 |
1 |
356 |
cf |
[NAG]I:1 |
x,y,z |
1_555 |
7 |
1 |
364 |
71.0 |
1.5 |
0.071 |
1 |
0 |
0 |
0.000 |
30 |
|
[NAG]L:2 |
9 |
1 |
354 |
cf |
[NAG]L:1 |
x,y,z |
1_555 |
7 |
1 |
363 |
70.9 |
1.4 |
0.068 |
1 |
0 |
0 |
0.000 |
Average: |
71.0 |
1.5 |
0.069 |
1 |
0 |
0 |
0.000 |
17 |
31 |
|
[NAG]K:2 |
10 |
1 |
354 |
cf |
[NAG]K:1 |
x,y,z |
1_555 |
6 |
1 |
361 |
68.5 |
1.4 |
0.087 |
0 |
0 |
0 |
0.000 |
32 |
|
[NAG]H:2 |
10 |
1 |
355 |
cf |
[NAG]H:1 |
x,y,z |
1_555 |
6 |
1 |
362 |
68.4 |
1.3 |
0.085 |
0 |
0 |
0 |
0.000 |
Average: |
68.5 |
1.4 |
0.086 |
0 |
0 |
0 |
0.000 |
18 |
33 |
|
F |
9 |
5 |
6159 |
x |
F |
x-1,y,z |
1_455 |
10 |
3 |
6159 |
65.9 |
-0.1 |
0.619 |
0 |
0 |
0 |
0.000 |
34 |
|
C |
11 |
3 |
6260 |
x |
C |
x-1,y,z |
1_455 |
9 |
4 |
6260 |
65.1 |
-0.5 |
0.537 |
0 |
0 |
0 |
0.000 |
Average: |
65.5 |
-0.3 |
0.578 |
0 |
0 |
0 |
0.000 |
19 |
35 |
|
[CL]D:305 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
10 |
6 |
11835 |
65.6 |
-8.9 |
0.000 |
0 |
0 |
0 |
0.083 |
20 |
36 |
|
[BMA]L:3 |
6 |
1 |
290 |
cf |
[NAG]L:2 |
x,y,z |
1_555 |
5 |
1 |
354 |
57.9 |
1.4 |
0.134 |
0 |
0 |
0 |
0.000 |
37 |
|
[BMA]I:3 |
5 |
1 |
289 |
cf |
[NAG]I:2 |
x,y,z |
1_555 |
5 |
1 |
356 |
57.7 |
1.3 |
0.144 |
0 |
0 |
0 |
0.000 |
Average: |
57.8 |
1.4 |
0.139 |
0 |
0 |
0 |
0.000 |
21 |
38 |
|
[NAG]K:2 |
6 |
1 |
354 |
f |
E |
x,y,z |
1_555 |
10 |
2 |
11877 |
51.5 |
1.5 |
0.449 |
0 |
0 |
0 |
0.000 |
39 |
|
[NAG]H:2 |
5 |
1 |
355 |
f |
B |
x,y,z |
1_555 |
11 |
2 |
11704 |
50.9 |
1.5 |
0.522 |
0 |
0 |
0 |
0.000 |
Average: |
51.2 |
1.5 |
0.486 |
0 |
0 |
0 |
0.000 |
22 |
40 |
|
[CL]E:302 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
11 |
4 |
11835 |
51.1 |
-5.9 |
0.000 |
0 |
0 |
0 |
0.054 |
23 |
41 |
|
[ZN]A:302 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
10 |
6 |
11613 |
50.8 |
-25.4 |
0.000 |
0 |
0 |
0 |
0.228 |
42 |
|
[ZN]D:303 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
11 |
6 |
11835 |
50.8 |
-24.5 |
0.000 |
0 |
0 |
0 |
0.228 |
Average: |
50.8 |
-25.0 |
0.000 |
0 |
0 |
0 |
0.228 |
24 |
43 |
|
[CL]E:302 |
1 |
1 |
125 |
◊ |
E |
x,y,z |
1_555 |
6 |
3 |
11877 |
47.1 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.046 |
25 |
44 |
|
[FUC]J:2 |
5 |
1 |
282 |
f |
D |
x,y,z |
1_555 |
6 |
3 |
11835 |
46.1 |
1.1 |
0.342 |
0 |
0 |
0 |
0.000 |
26 |
45 |
|
[ZN]E:301 |
1 |
1 |
98 |
◊ |
E |
x,y,z |
1_555 |
8 |
3 |
11877 |
40.1 |
-18.9 |
0.000 |
0 |
0 |
0 |
0.000 |
46 |
|
[ZN]B:301 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
8 |
3 |
11704 |
39.5 |
-18.7 |
0.000 |
0 |
0 |
0 |
0.000 |
Average: |
39.8 |
-18.8 |
0.000 |
0 |
0 |
0 |
0.000 |
27 |
47 |
|
[ZN]D:301 |
1 |
1 |
98 |
f |
A |
x,y-1,z+1 |
1_546 |
7 |
4 |
11613 |
40.0 |
-21.8 |
0.000 |
0 |
0 |
0 |
0.208 |
48 |
|
[ZN]D:302 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
6 |
3 |
11835 |
39.7 |
-22.3 |
0.000 |
0 |
0 |
0 |
0.208 |
Average: |
39.8 |
-22.1 |
0.000 |
0 |
0 |
0 |
0.208 |
28 |
49 |
|
[ZN]A:301 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
9 |
2 |
11613 |
39.8 |
-21.1 |
0.000 |
0 |
0 |
0 |
0.164 |
29 |
50 |
|
[ZN]E:301 |
1 |
1 |
98 |
f |
B |
x-1,y,z |
1_455 |
7 |
3 |
11704 |
38.4 |
-19.3 |
0.000 |
0 |
0 |
0 |
1.000 |
51 |
|
E |
7 |
4 |
11877 |
f |
[ZN]B:301 |
x-1,y-1,z |
1_445 |
1 |
1 |
98 |
37.4 |
-18.6 |
0.000 |
0 |
0 |
0 |
1.000 |
Average: |
37.9 |
-19.0 |
0.000 |
0 |
0 |
0 |
1.000 |
30 |
52 |
|
[ZN]A:301 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
5 |
3 |
11704 |
37.7 |
-18.1 |
0.000 |
0 |
0 |
0 |
0.140 |
31 |
53 |
|
D |
3 |
3 |
11835 |
◊ |
C |
x-1,y,z+1 |
1_456 |
9 |
4 |
6260 |
37.7 |
0.3 |
0.707 |
0 |
0 |
0 |
0.000 |
54 |
|
F |
1 |
1 |
6159 |
◊ |
A |
x-1,y-1,z+1 |
1_446 |
2 |
1 |
11613 |
4.8 |
-0.2 |
0.390 |
0 |
0 |
0 |
0.000 |
Average: |
21.3 |
0.1 |
0.548 |
0 |
0 |
0 |
0.000 |
32 |
55 |
|
[ZN]D:301 |
1 |
1 |
98 |
◊ |
D |
x,y,z |
1_555 |
6 |
3 |
11835 |
36.2 |
-17.7 |
0.000 |
0 |
0 |
0 |
0.000 |
56 |
|
A |
5 |
2 |
11613 |
◊ |
[ZN]D:302 |
x,y,z-1 |
1_554 |
1 |
1 |
98 |
35.4 |
-17.0 |
0.000 |
0 |
0 |
0 |
0.000 |
Average: |
35.8 |
-17.3 |
0.000 |
0 |
0 |
0 |
0.000 |
33 |
57 |
|
[FUC]G:2 |
4 |
1 |
282 |
f |
A |
x,y,z |
1_555 |
5 |
3 |
11613 |
36.1 |
0.9 |
0.312 |
0 |
0 |
0 |
0.000 |
34 |
58 |
|
[ZN]A:303 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
2 |
1 |
11613 |
35.1 |
-16.3 |
0.000 |
0 |
0 |
0 |
0.150 |
59 |
|
[ZN]D:304 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
2 |
1 |
11835 |
34.7 |
-16.1 |
0.000 |
0 |
0 |
0 |
0.150 |
Average: |
34.9 |
-16.2 |
0.000 |
0 |
0 |
0 |
0.150 |
35 |
60 |
|
[NAG]H:1 |
4 |
1 |
362 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
11613 |
14.4 |
0.2 |
0.306 |
0 |
0 |
0 |
0.000 |
61 |
|
[NAG]K:1 |
4 |
1 |
361 |
◊ |
D |
x,y,z |
1_555 |
1 |
1 |
11835 |
9.8 |
0.2 |
0.307 |
0 |
0 |
0 |
0.000 |
Average: |
12.1 |
0.2 |
0.306 |
0 |
0 |
0 |
0.000 |
36 |
62 |
|
[BMA]I:3 |
1 |
1 |
289 |
f |
B |
x,y,z |
1_555 |
1 |
1 |
11704 |
8.3 |
0.1 |
0.256 |
0 |
0 |
0 |
0.000 |
63 |
|
[BMA]L:3 |
1 |
1 |
290 |
f |
E |
x,y,z |
1_555 |
1 |
1 |
11877 |
7.7 |
0.1 |
0.260 |
0 |
0 |
0 |
0.000 |
Average: |
8.0 |
0.1 |
0.258 |
0 |
0 |
0 |
0.000 |
37 |
64 |
|
[CL]E:302 |
1 |
1 |
125 |
f |
[CL]D:305 |
x,y,z |
1_555 |
1 |
1 |
125 |
6.4 |
-1.3 |
0.000 |
0 |
0 |
0 |
0.012 |
38 |
65 |
|
E |
1 |
1 |
11877 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
11613 |
5.8 |
0.1 |
0.781 |
0 |
0 |
0 |
0.000 |
66 |
|
D |
1 |
1 |
11835 |
◊ |
B |
x,y-1,z |
1_545 |
1 |
1 |
11704 |
4.6 |
-0.0 |
0.495 |
0 |
0 |
0 |
0.000 |
Average: |
5.2 |
0.1 |
0.638 |
0 |
0 |
0 |
0.000 |
39 |
67 |
|
[CL]D:305 |
1 |
1 |
125 |
◊ |
E |
x,y,z |
1_555 |
1 |
1 |
11877 |
2.3 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.003 |
|