| ## |
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 |
|
D |
300 |
75 |
12091 |
◊ |
C |
x,y,z |
1_555 |
248 |
64 |
16805 |
2724.1 |
-36.3 |
0.025 |
39 |
7 |
1 |
1.000 |
2 |
|
J |
292 |
75 |
12096 |
◊ |
I |
x,y,z |
1_555 |
246 |
61 |
16846 |
2708.6 |
-37.4 |
0.018 |
41 |
5 |
1 |
1.000 |
3 |
|
H |
298 |
77 |
12034 |
◊ |
G |
x,y,z |
1_555 |
248 |
61 |
16754 |
2708.4 |
-34.5 |
0.046 |
43 |
6 |
1 |
1.000 |
4 |
|
F |
295 |
74 |
12135 |
◊ |
E |
x,y,z |
1_555 |
241 |
59 |
16698 |
2700.5 |
-37.6 |
0.024 |
38 |
7 |
1 |
1.000 |
5 |
|
L |
293 |
76 |
12012 |
◊ |
K |
x,y,z |
1_555 |
247 |
63 |
16812 |
2683.0 |
-37.2 |
0.028 |
37 |
6 |
1 |
1.000 |
6 |
|
B |
289 |
74 |
11945 |
◊ |
A |
x,y,z |
1_555 |
241 |
61 |
16767 |
2678.9 |
-37.5 |
0.021 |
40 |
6 |
1 |
1.000 |
| Average: |
2700.6 |
-36.7 |
0.027 |
40 |
6 |
1 |
1.000 |
| 2 |
7 |
|
F |
108 |
34 |
12135 |
◊ |
D |
x,y,z |
1_555 |
102 |
26 |
12091 |
1037.4 |
-11.3 |
0.373 |
10 |
8 |
0 |
1.000 |
8 |
|
J |
108 |
35 |
12096 |
◊ |
H |
x,y,z |
1_555 |
104 |
28 |
12034 |
1034.0 |
-9.3 |
0.448 |
11 |
8 |
0 |
1.000 |
9 |
|
F |
102 |
27 |
12135 |
◊ |
B |
x,y,z |
1_555 |
107 |
36 |
11945 |
1025.0 |
-10.2 |
0.440 |
12 |
8 |
0 |
1.000 |
10 |
|
D |
105 |
34 |
12091 |
◊ |
B |
x,y,z |
1_555 |
100 |
26 |
11945 |
1010.2 |
-9.5 |
0.436 |
11 |
8 |
0 |
1.000 |
11 |
|
L |
100 |
27 |
12012 |
◊ |
H |
x,y,z |
1_555 |
109 |
35 |
12034 |
998.7 |
-9.6 |
0.430 |
11 |
8 |
0 |
1.000 |
12 |
|
L |
105 |
34 |
12012 |
◊ |
J |
x,y,z |
1_555 |
98 |
26 |
12096 |
995.3 |
-8.9 |
0.458 |
12 |
8 |
0 |
1.000 |
| Average: |
1016.8 |
-9.8 |
0.431 |
11 |
8 |
0 |
1.000 |
| 3 |
13 |
|
I |
48 |
15 |
16846 |
◊ |
G |
x,y,z |
1_555 |
53 |
14 |
16754 |
454.9 |
-0.8 |
0.545 |
2 |
2 |
0 |
0.036 |
14 |
|
E |
48 |
15 |
16698 |
◊ |
C |
x,y,z |
1_555 |
53 |
15 |
16805 |
453.3 |
-2.1 |
0.439 |
1 |
1 |
0 |
0.036 |
15 |
|
C |
50 |
15 |
16805 |
◊ |
A |
x,y,z |
1_555 |
52 |
14 |
16767 |
445.4 |
-2.2 |
0.437 |
1 |
1 |
0 |
0.036 |
16 |
|
K |
51 |
14 |
16812 |
◊ |
G |
x,y,z |
1_555 |
50 |
15 |
16754 |
442.8 |
-3.0 |
0.370 |
1 |
1 |
0 |
0.036 |
17 |
|
K |
44 |
14 |
16812 |
◊ |
I |
x,y,z |
1_555 |
46 |
13 |
16846 |
407.1 |
-2.5 |
0.388 |
1 |
1 |
0 |
0.036 |
18 |
|
E |
47 |
14 |
16698 |
◊ |
A |
x,y,z |
1_555 |
44 |
14 |
16767 |
395.8 |
-2.8 |
0.359 |
1 |
0 |
0 |
0.036 |
| Average: |
433.2 |
-2.2 |
0.423 |
1 |
1 |
0 |
0.036 |
| 4 |
19 |
|
C |
33 |
10 |
16805 |
◊ |
K |
-x,y-1,-z |
2_545 |
34 |
10 |
16812 |
351.2 |
0.2 |
0.614 |
0 |
6 |
0 |
0.000 |
20 |
|
G |
35 |
12 |
16754 |
◊ |
A |
-x,y,-z |
2_555 |
33 |
10 |
16767 |
349.7 |
1.2 |
0.726 |
1 |
5 |
0 |
0.000 |
21 |
|
E |
34 |
10 |
16698 |
◊ |
I |
-x+1/2,y-1/2,-z |
4_545 |
35 |
11 |
16846 |
344.6 |
0.3 |
0.626 |
1 |
4 |
0 |
0.000 |
| Average: |
348.5 |
0.6 |
0.655 |
1 |
5 |
0 |
0.000 |
| 5 |
22 |
|
B |
33 |
9 |
11945 |
◊ |
C |
x,y,z |
1_555 |
45 |
12 |
16805 |
340.5 |
0.2 |
0.723 |
6 |
2 |
0 |
0.033 |
23 |
|
D |
33 |
9 |
12091 |
◊ |
E |
x,y,z |
1_555 |
43 |
12 |
16698 |
338.3 |
0.4 |
0.743 |
6 |
2 |
0 |
0.033 |
24 |
|
F |
33 |
9 |
12135 |
◊ |
A |
x,y,z |
1_555 |
43 |
12 |
16767 |
337.3 |
0.3 |
0.736 |
6 |
2 |
0 |
0.033 |
25 |
|
L |
33 |
9 |
12012 |
◊ |
G |
x,y,z |
1_555 |
45 |
12 |
16754 |
336.9 |
0.2 |
0.728 |
7 |
2 |
0 |
0.033 |
26 |
|
H |
33 |
9 |
12034 |
◊ |
I |
x,y,z |
1_555 |
45 |
12 |
16846 |
334.9 |
0.7 |
0.748 |
6 |
2 |
0 |
0.033 |
27 |
|
J |
33 |
9 |
12096 |
◊ |
K |
x,y,z |
1_555 |
44 |
12 |
16812 |
333.1 |
0.5 |
0.747 |
6 |
2 |
0 |
0.033 |
| Average: |
336.9 |
0.4 |
0.737 |
6 |
2 |
0 |
0.033 |
| 6 |
28 |
|
C |
32 |
11 |
16805 |
◊ |
C |
-x,y,-z-1 |
2_554 |
32 |
11 |
16805 |
322.1 |
3.9 |
0.884 |
4 |
0 |
0 |
0.000 |
29 |
|
E |
29 |
7 |
16698 |
◊ |
A |
-x,y,-z-1 |
2_554 |
28 |
7 |
16767 |
246.4 |
0.6 |
0.670 |
1 |
0 |
0 |
0.000 |
| Average: |
284.2 |
2.2 |
0.777 |
3 |
0 |
0 |
0.000 |
| 7 |
30 |
|
G |
40 |
9 |
16754 |
◊ |
G |
-x,y,-z |
2_555 |
40 |
9 |
16754 |
309.7 |
1.2 |
0.716 |
4 |
2 |
0 |
0.000 |
| 8 |
31 |
|
L |
39 |
13 |
12012 |
◊ |
I |
x,y,z |
1_555 |
22 |
6 |
16846 |
265.2 |
-1.9 |
0.356 |
2 |
1 |
0 |
0.041 |
32 |
|
H |
39 |
13 |
12034 |
◊ |
K |
x,y,z |
1_555 |
20 |
6 |
16812 |
255.8 |
-2.0 |
0.350 |
2 |
1 |
0 |
0.041 |
33 |
|
B |
39 |
13 |
11945 |
◊ |
E |
x,y,z |
1_555 |
21 |
6 |
16698 |
255.3 |
-2.1 |
0.333 |
3 |
1 |
0 |
0.041 |
34 |
|
F |
37 |
13 |
12135 |
◊ |
C |
x,y,z |
1_555 |
21 |
6 |
16805 |
255.2 |
-2.1 |
0.327 |
3 |
1 |
0 |
0.041 |
35 |
|
J |
38 |
13 |
12096 |
◊ |
G |
x,y,z |
1_555 |
21 |
6 |
16754 |
254.8 |
-1.9 |
0.354 |
3 |
1 |
0 |
0.041 |
36 |
|
D |
36 |
13 |
12091 |
◊ |
A |
x,y,z |
1_555 |
21 |
6 |
16767 |
254.3 |
-1.9 |
0.377 |
2 |
1 |
0 |
0.041 |
| Average: |
256.8 |
-2.0 |
0.349 |
3 |
1 |
0 |
0.041 |
| 9 |
37 |
|
[SIA]K:3216 |
18 |
1 |
443 |
f |
K |
x,y,z |
1_555 |
34 |
14 |
16812 |
233.6 |
-1.2 |
0.328 |
7 |
0 |
0 |
0.096 |
38 |
|
[SIA]G:3210 |
18 |
1 |
443 |
f |
G |
x,y,z |
1_555 |
34 |
14 |
16754 |
233.5 |
-1.2 |
0.325 |
7 |
0 |
0 |
0.096 |
39 |
|
[SIA]I:3213 |
18 |
1 |
442 |
f |
I |
x,y,z |
1_555 |
35 |
15 |
16846 |
233.1 |
-1.3 |
0.319 |
8 |
0 |
0 |
0.096 |
40 |
|
[SIA]E:3207 |
18 |
1 |
443 |
f |
E |
x,y,z |
1_555 |
36 |
15 |
16698 |
232.9 |
-1.4 |
0.321 |
9 |
0 |
0 |
0.096 |
41 |
|
[SIA]C:3204 |
18 |
1 |
448 |
f |
C |
x,y,z |
1_555 |
35 |
14 |
16805 |
231.7 |
-1.0 |
0.339 |
8 |
0 |
0 |
0.096 |
42 |
|
[SIA]A:3201 |
18 |
1 |
445 |
f |
A |
x,y,z |
1_555 |
37 |
15 |
16767 |
229.8 |
-1.1 |
0.337 |
7 |
0 |
0 |
0.096 |
| Average: |
232.4 |
-1.2 |
0.328 |
8 |
0 |
0 |
0.096 |
| 10 |
43 |
|
F |
21 |
5 |
12135 |
◊ |
H |
-x+1/2,y-1/2,-z+1 |
4_546 |
21 |
5 |
12034 |
176.5 |
0.1 |
0.750 |
0 |
0 |
0 |
0.000 |
44 |
|
D |
21 |
5 |
12091 |
◊ |
J |
-x+1/2,y-1/2,-z+1 |
4_546 |
20 |
5 |
12096 |
174.9 |
-0.3 |
0.713 |
0 |
0 |
0 |
0.000 |
| Average: |
175.7 |
-0.1 |
0.731 |
0 |
0 |
0 |
0.000 |
| 11 |
45 |
|
K |
23 |
11 |
16812 |
◊ |
K |
-x,y,-z |
2_555 |
23 |
11 |
16812 |
170.5 |
0.9 |
0.701 |
3 |
0 |
0 |
0.000 |
| 12 |
46 |
|
F |
16 |
4 |
12135 |
◊ |
J |
-x+1/2,y-1/2,-z+1 |
4_546 |
16 |
4 |
12096 |
144.2 |
-0.7 |
0.644 |
0 |
0 |
0 |
0.000 |
| 13 |
47 |
|
[NAG]F:3331 |
10 |
1 |
360 |
f |
F |
x,y,z |
1_555 |
14 |
5 |
12135 |
120.3 |
1.9 |
0.379 |
2 |
0 |
0 |
0.000 |
| 14 |
48 |
|
[GAL]A:3202 |
9 |
1 |
297 |
f |
A |
x,y,z |
1_555 |
14 |
6 |
16767 |
97.0 |
3.1 |
0.374 |
2 |
0 |
0 |
0.000 |
| 15 |
49 |
|
[NAG]E:3311 |
8 |
1 |
363 |
f |
E |
x,y,z |
1_555 |
7 |
3 |
16698 |
96.7 |
2.2 |
0.418 |
0 |
0 |
0 |
0.000 |
| 16 |
50 |
|
[GAL]G:3211 |
7 |
1 |
294 |
f |
G |
x,y,z |
1_555 |
13 |
6 |
16754 |
95.1 |
3.0 |
0.456 |
2 |
0 |
0 |
0.000 |
| 17 |
51 |
|
[GAL]C:3205 |
9 |
1 |
295 |
f |
C |
x,y,z |
1_555 |
15 |
6 |
16805 |
94.4 |
3.2 |
0.412 |
2 |
0 |
0 |
0.000 |
52 |
|
[GAL]K:3217 |
9 |
1 |
297 |
f |
K |
x,y,z |
1_555 |
14 |
6 |
16812 |
93.8 |
3.1 |
0.397 |
2 |
0 |
0 |
0.000 |
53 |
|
[GAL]E:3208 |
9 |
1 |
296 |
f |
E |
x,y,z |
1_555 |
12 |
5 |
16698 |
93.8 |
3.2 |
0.406 |
2 |
0 |
0 |
0.000 |
54 |
|
[GAL]I:3214 |
8 |
1 |
294 |
f |
I |
x,y,z |
1_555 |
15 |
6 |
16846 |
93.3 |
3.1 |
0.405 |
2 |
0 |
0 |
0.000 |
| Average: |
93.8 |
3.1 |
0.405 |
2 |
0 |
0 |
0.000 |
| 18 |
55 |
|
[NAG]G:3212 |
5 |
1 |
364 |
cf |
[GAL]G:3211 |
x,y,z |
1_555 |
7 |
1 |
294 |
66.8 |
1.2 |
0.114 |
0 |
0 |
0 |
0.000 |
| 19 |
56 |
|
[NAG]A:3203 |
7 |
1 |
366 |
cf |
[GAL]A:3202 |
x,y,z |
1_555 |
6 |
1 |
297 |
64.9 |
0.7 |
0.088 |
1 |
0 |
0 |
0.000 |
57 |
|
[NAG]E:3209 |
6 |
1 |
366 |
cf |
[GAL]E:3208 |
x,y,z |
1_555 |
6 |
1 |
296 |
63.2 |
0.6 |
0.097 |
1 |
0 |
0 |
0.000 |
| Average: |
64.0 |
0.6 |
0.092 |
1 |
0 |
0 |
0.000 |
| 20 |
58 |
|
[NAG]A:3203 |
5 |
1 |
366 |
f |
[SIA]A:3201 |
x,y,z |
1_555 |
8 |
1 |
445 |
64.5 |
2.2 |
0.464 |
0 |
0 |
0 |
0.000 |
| 21 |
59 |
|
[NAG]A:3321 |
8 |
1 |
365 |
f |
A |
x,y,z |
1_555 |
6 |
2 |
16767 |
63.3 |
1.1 |
0.277 |
1 |
0 |
0 |
0.000 |
| 22 |
60 |
|
[GAL]G:3211 |
4 |
1 |
294 |
cf |
[SIA]G:3210 |
x,y,z |
1_555 |
8 |
1 |
443 |
58.5 |
2.5 |
0.482 |
0 |
0 |
0 |
0.000 |
61 |
|
[GAL]A:3202 |
3 |
1 |
297 |
cf |
[SIA]A:3201 |
x,y,z |
1_555 |
8 |
1 |
445 |
57.6 |
2.5 |
0.620 |
0 |
0 |
0 |
0.000 |
| Average: |
58.0 |
2.5 |
0.551 |
0 |
0 |
0 |
0.000 |
| 23 |
62 |
|
[NAG]I:3215 |
6 |
1 |
371 |
cf |
[GAL]I:3214 |
x,y,z |
1_555 |
7 |
1 |
294 |
58.3 |
0.7 |
0.085 |
0 |
0 |
0 |
0.000 |
63 |
|
[NAG]K:3218 |
5 |
1 |
369 |
cf |
[GAL]K:3217 |
x,y,z |
1_555 |
7 |
1 |
297 |
57.6 |
0.7 |
0.095 |
0 |
0 |
0 |
0.000 |
| Average: |
57.9 |
0.7 |
0.090 |
0 |
0 |
0 |
0.000 |
| 24 |
64 |
|
[GAL]E:3208 |
4 |
1 |
296 |
cf |
[SIA]E:3207 |
x,y,z |
1_555 |
8 |
1 |
443 |
57.9 |
2.5 |
0.461 |
0 |
0 |
0 |
0.000 |
65 |
|
[GAL]K:3217 |
4 |
1 |
297 |
cf |
[SIA]K:3216 |
x,y,z |
1_555 |
8 |
1 |
443 |
57.2 |
2.5 |
0.450 |
0 |
0 |
0 |
0.000 |
66 |
|
[GAL]C:3205 |
4 |
1 |
295 |
cf |
[SIA]C:3204 |
x,y,z |
1_555 |
8 |
1 |
448 |
57.1 |
2.5 |
0.453 |
0 |
0 |
0 |
0.000 |
67 |
|
[GAL]I:3214 |
4 |
1 |
294 |
cf |
[SIA]I:3213 |
x,y,z |
1_555 |
8 |
1 |
442 |
56.9 |
2.5 |
0.453 |
0 |
0 |
0 |
0.000 |
| Average: |
57.3 |
2.5 |
0.454 |
0 |
0 |
0 |
0.000 |
| 25 |
68 |
|
[NAG]C:3206 |
6 |
1 |
367 |
cf |
[GAL]C:3205 |
x,y,z |
1_555 |
7 |
1 |
295 |
57.2 |
0.6 |
0.099 |
0 |
0 |
0 |
0.000 |
| 26 |
69 |
|
[NAG]A:3203 |
4 |
1 |
366 |
f |
A |
x,y,z |
1_555 |
6 |
3 |
16767 |
44.0 |
1.7 |
0.572 |
0 |
0 |
0 |
0.000 |
| 27 |
70 |
|
K |
4 |
1 |
16812 |
◊ |
I |
-x,y,-z |
2_555 |
6 |
2 |
16846 |
40.5 |
0.4 |
0.696 |
1 |
1 |
0 |
0.000 |
| 28 |
71 |
|
[NAG]I:3215 |
3 |
1 |
371 |
f |
I |
x,y,z |
1_555 |
4 |
2 |
16846 |
32.3 |
1.1 |
0.586 |
0 |
0 |
0 |
0.000 |
72 |
|
[NAG]C:3206 |
2 |
1 |
367 |
f |
C |
x,y,z |
1_555 |
1 |
1 |
16805 |
20.7 |
1.0 |
0.741 |
0 |
0 |
0 |
0.000 |
73 |
|
[NAG]K:3218 |
2 |
1 |
369 |
f |
K |
x,y,z |
1_555 |
4 |
2 |
16812 |
19.4 |
0.9 |
0.529 |
0 |
0 |
0 |
0.000 |
| Average: |
24.1 |
1.0 |
0.619 |
0 |
0 |
0 |
0.000 |
| 29 |
74 |
|
B |
6 |
3 |
11945 |
◊ |
J |
-x+1/2,y-1/2,-z+1 |
4_546 |
5 |
3 |
12096 |
30.8 |
0.6 |
0.808 |
0 |
0 |
0 |
0.000 |
75 |
|
F |
5 |
3 |
12135 |
◊ |
L |
-x+1/2,y-1/2,-z+1 |
4_546 |
6 |
3 |
12012 |
22.1 |
0.4 |
0.772 |
0 |
0 |
0 |
0.000 |
| Average: |
26.4 |
0.5 |
0.790 |
0 |
0 |
0 |
0.000 |
| 30 |
76 |
|
[NAG]G:3212 |
2 |
1 |
364 |
f |
[SIA]G:3210 |
x,y,z |
1_555 |
5 |
1 |
443 |
29.7 |
1.7 |
0.590 |
0 |
0 |
0 |
0.000 |
| 31 |
77 |
|
[NAG]E:3209 |
1 |
1 |
366 |
f |
[SIA]E:3207 |
x,y,z |
1_555 |
3 |
1 |
443 |
14.7 |
0.6 |
0.373 |
0 |
0 |
0 |
0.000 |
| 32 |
78 |
|
[NAG]E:3209 |
1 |
1 |
366 |
f |
E |
x,y,z |
1_555 |
1 |
1 |
16698 |
9.2 |
0.4 |
0.719 |
0 |
0 |
0 |
0.000 |
| 33 |
79 |
|
[NAG]K:3218 |
3 |
1 |
369 |
f |
[SIA]K:3216 |
x,y,z |
1_555 |
5 |
1 |
443 |
8.3 |
0.4 |
0.304 |
0 |
0 |
0 |
0.000 |
80 |
|
[NAG]C:3206 |
3 |
1 |
367 |
f |
[SIA]C:3204 |
x,y,z |
1_555 |
3 |
1 |
448 |
5.4 |
0.3 |
0.316 |
0 |
0 |
0 |
0.000 |
| Average: |
6.9 |
0.4 |
0.310 |
0 |
0 |
0 |
0.000 |
| 34 |
81 |
|
[NAG]I:3215 |
2 |
1 |
371 |
f |
[SIA]I:3213 |
x,y,z |
1_555 |
3 |
1 |
442 |
7.4 |
0.4 |
0.299 |
0 |
0 |
0 |
0.000 |
|