## |
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 |
|
C |
177 |
52 |
28788 |
◊ |
C |
-x,y,-z+2 |
2_557 |
177 |
52 |
28788 |
1597.6 |
-7.6 |
0.550 |
10 |
2 |
0 |
0.000 |
2 |
|
A |
180 |
55 |
29038 |
◊ |
B |
-x-1/2,y-1/2,-z+1 |
4_446 |
173 |
50 |
29197 |
1590.5 |
-7.5 |
0.585 |
6 |
4 |
0 |
0.000 |
Average: |
1594.1 |
-7.6 |
0.568 |
8 |
3 |
0 |
0.000 |
2 |
3 |
|
B |
71 |
27 |
29197 |
◊ |
A |
x,y,z |
1_555 |
73 |
25 |
29038 |
626.8 |
-1.6 |
0.634 |
7 |
5 |
0 |
0.000 |
4 |
|
A |
56 |
16 |
29038 |
◊ |
C |
x,y,z-1 |
1_554 |
69 |
29 |
28788 |
556.3 |
-2.7 |
0.488 |
4 |
1 |
0 |
0.000 |
5 |
|
C |
51 |
14 |
28788 |
◊ |
B |
x,y,z |
1_555 |
59 |
23 |
29197 |
470.2 |
-2.8 |
0.526 |
3 |
0 |
0 |
0.000 |
Average: |
551.1 |
-2.4 |
0.549 |
5 |
2 |
0 |
0.000 |
3 |
6 |
|
F |
55 |
8 |
1499 |
◊ |
A |
x,y,z |
1_555 |
76 |
23 |
29038 |
574.0 |
-3.0 |
0.423 |
6 |
0 |
0 |
0.028 |
7 |
|
G |
55 |
8 |
1495 |
◊ |
B |
x,y,z |
1_555 |
75 |
23 |
29197 |
566.3 |
-3.0 |
0.438 |
5 |
0 |
0 |
0.028 |
8 |
|
H |
56 |
8 |
1495 |
◊ |
C |
x,y,z |
1_555 |
75 |
23 |
28788 |
565.5 |
-3.0 |
0.435 |
5 |
0 |
0 |
0.028 |
Average: |
568.6 |
-3.0 |
0.432 |
5 |
0 |
0 |
0.028 |
4 |
9 |
|
J |
43 |
7 |
1507 |
◊ |
A |
-x,y,-z+1 |
2_556 |
67 |
19 |
29038 |
499.0 |
-1.6 |
0.242 |
2 |
0 |
0 |
0.000 |
10 |
|
I |
41 |
7 |
1515 |
◊ |
C |
x,y,z |
1_555 |
71 |
19 |
28788 |
475.6 |
-1.9 |
0.249 |
1 |
0 |
0 |
0.000 |
Average: |
487.3 |
-1.7 |
0.245 |
2 |
0 |
0 |
0.000 |
5 |
11 |
|
[JEF]C:802 |
17 |
1 |
499 |
f |
C |
x,y,z |
1_555 |
63 |
17 |
28788 |
364.0 |
-7.1 |
0.456 |
5 |
0 |
0 |
0.060 |
6 |
12 |
|
[JEF]A:802 |
17 |
1 |
486 |
f |
A |
x,y,z |
1_555 |
57 |
17 |
29038 |
362.7 |
-6.3 |
0.472 |
3 |
0 |
0 |
0.049 |
7 |
13 |
|
[JEF]C:801 |
17 |
1 |
466 |
f |
C |
x,y,z |
1_555 |
47 |
17 |
28788 |
358.2 |
-6.3 |
0.472 |
0 |
0 |
0 |
0.040 |
8 |
14 |
|
[JEF]B:802 |
17 |
1 |
473 |
f |
B |
x,y,z |
1_555 |
47 |
19 |
29197 |
358.0 |
-7.5 |
0.333 |
1 |
0 |
0 |
0.057 |
9 |
15 |
|
[JEF]B:801 |
17 |
1 |
493 |
f |
B |
x,y,z |
1_555 |
55 |
17 |
29197 |
355.0 |
-6.1 |
0.537 |
0 |
0 |
0 |
0.043 |
10 |
16 |
|
[JEF]A:801 |
17 |
1 |
480 |
f |
A |
x,y,z |
1_555 |
50 |
21 |
29038 |
343.4 |
-7.5 |
0.324 |
1 |
0 |
0 |
0.051 |
11 |
17 |
|
C |
32 |
11 |
28788 |
◊ |
I |
-x-1/2,y-1/2,-z+2 |
4_447 |
37 |
7 |
1515 |
286.7 |
-3.2 |
0.490 |
6 |
0 |
0 |
0.000 |
18 |
|
J |
35 |
6 |
1507 |
◊ |
B |
x,y,z |
1_555 |
32 |
11 |
29197 |
267.5 |
-4.5 |
0.413 |
5 |
0 |
0 |
0.000 |
Average: |
277.1 |
-3.8 |
0.451 |
6 |
0 |
0 |
0.000 |
12 |
19 |
|
I |
20 |
3 |
1515 |
◊ |
B |
x,y,z |
1_555 |
16 |
7 |
29197 |
144.6 |
-0.9 |
0.333 |
1 |
0 |
0 |
0.000 |
20 |
|
J |
20 |
3 |
1507 |
◊ |
C |
-x,y,-z+2 |
2_557 |
17 |
7 |
28788 |
143.5 |
-0.7 |
0.350 |
2 |
0 |
0 |
0.000 |
Average: |
144.1 |
-0.8 |
0.342 |
2 |
0 |
0 |
0.000 |
13 |
21 |
|
A |
14 |
6 |
29038 |
x |
A |
-x-1/2,y-1/2,-z+1 |
4_446 |
12 |
6 |
29038 |
119.0 |
0.3 |
0.655 |
1 |
0 |
0 |
0.000 |
14 |
22 |
|
[WOO]J:103 |
10 |
1 |
276 |
cf |
J |
x,y,z |
1_555 |
17 |
4 |
1507 |
110.7 |
3.5 |
0.338 |
0 |
0 |
0 |
0.000 |
23 |
|
[WOO]I:103 |
8 |
1 |
278 |
cf |
I |
x,y,z |
1_555 |
18 |
4 |
1515 |
107.3 |
3.5 |
0.417 |
0 |
0 |
0 |
0.000 |
Average: |
109.0 |
3.5 |
0.377 |
0 |
0 |
0 |
0.000 |
15 |
24 |
|
[MAN]G:103 |
9 |
1 |
290 |
cf |
G |
x,y,z |
1_555 |
16 |
4 |
1495 |
104.9 |
2.7 |
0.363 |
4 |
0 |
0 |
0.000 |
25 |
|
[MAN]F:103 |
9 |
1 |
288 |
cf |
F |
x,y,z |
1_555 |
16 |
4 |
1499 |
102.7 |
2.8 |
0.401 |
3 |
0 |
0 |
0.000 |
26 |
|
[MAN]H:103 |
9 |
1 |
291 |
cf |
H |
x,y,z |
1_555 |
17 |
4 |
1495 |
102.6 |
2.8 |
0.362 |
4 |
0 |
0 |
0.000 |
Average: |
103.4 |
2.7 |
0.375 |
4 |
0 |
0 |
0.000 |
16 |
27 |
|
[F8X]I:102 |
7 |
1 |
303 |
cf |
I |
x,y,z |
1_555 |
10 |
4 |
1515 |
103.6 |
-0.3 |
0.327 |
1 |
0 |
0 |
0.000 |
28 |
|
[F8X]J:102 |
8 |
1 |
303 |
cf |
J |
x,y,z |
1_555 |
11 |
4 |
1507 |
100.7 |
0.6 |
0.383 |
1 |
0 |
0 |
0.000 |
Average: |
102.2 |
0.1 |
0.355 |
1 |
0 |
0 |
0.000 |
17 |
29 |
|
[DIB]I:8 |
6 |
1 |
278 |
◊ |
B |
x,y,z |
1_555 |
12 |
5 |
29197 |
97.0 |
-1.6 |
0.559 |
0 |
0 |
0 |
0.000 |
30 |
|
[DIB]J:8 |
6 |
1 |
280 |
◊ |
C |
-x,y,-z+2 |
2_557 |
11 |
5 |
28788 |
94.7 |
-1.6 |
0.541 |
0 |
0 |
0 |
0.000 |
Average: |
95.8 |
-1.6 |
0.550 |
0 |
0 |
0 |
0.000 |
18 |
31 |
|
[F8F]F:101 |
7 |
1 |
312 |
◊ |
A |
x,y,z |
1_555 |
16 |
7 |
29038 |
96.1 |
0.8 |
0.818 |
2 |
0 |
0 |
0.002 |
32 |
|
[F8F]G:101 |
7 |
1 |
313 |
◊ |
B |
x,y,z |
1_555 |
16 |
7 |
29197 |
88.0 |
1.0 |
0.841 |
3 |
0 |
0 |
0.002 |
33 |
|
[F8F]H:101 |
7 |
1 |
314 |
◊ |
C |
x,y,z |
1_555 |
13 |
6 |
28788 |
88.0 |
0.8 |
0.819 |
2 |
0 |
0 |
0.002 |
Average: |
90.7 |
0.9 |
0.826 |
2 |
0 |
0 |
0.002 |
19 |
34 |
|
[F8F]F:101 |
7 |
1 |
312 |
cf |
F |
x,y,z |
1_555 |
12 |
4 |
1499 |
89.8 |
0.5 |
0.681 |
0 |
0 |
0 |
0.000 |
35 |
|
[F8F]H:101 |
7 |
1 |
314 |
cf |
H |
x,y,z |
1_555 |
13 |
4 |
1495 |
88.6 |
0.5 |
0.688 |
0 |
0 |
0 |
0.000 |
36 |
|
[F8F]G:101 |
7 |
1 |
313 |
cf |
G |
x,y,z |
1_555 |
12 |
4 |
1495 |
87.6 |
0.6 |
0.701 |
0 |
0 |
0 |
0.000 |
Average: |
88.7 |
0.5 |
0.690 |
0 |
0 |
0 |
0.000 |
20 |
37 |
|
[F8X]J:102 |
6 |
1 |
303 |
◊ |
A |
-x,y,-z+1 |
2_556 |
11 |
4 |
29038 |
83.6 |
2.4 |
0.679 |
1 |
0 |
0 |
0.000 |
38 |
|
[F8X]I:102 |
6 |
1 |
303 |
◊ |
C |
x,y,z |
1_555 |
11 |
4 |
28788 |
77.6 |
1.5 |
0.587 |
1 |
0 |
0 |
0.000 |
Average: |
80.6 |
2.0 |
0.633 |
1 |
0 |
0 |
0.000 |
21 |
39 |
|
C |
11 |
3 |
28788 |
◊ |
[WOO]I:103 |
-x-1/2,y-1/2,-z+2 |
4_447 |
7 |
1 |
278 |
78.7 |
0.7 |
0.280 |
0 |
0 |
0 |
0.000 |
40 |
|
[WOO]J:103 |
7 |
1 |
276 |
◊ |
B |
x,y,z |
1_555 |
11 |
3 |
29197 |
71.6 |
0.4 |
0.251 |
0 |
0 |
0 |
0.000 |
Average: |
75.1 |
0.5 |
0.265 |
0 |
0 |
0 |
0.000 |
22 |
41 |
|
[DIB]G:8 |
5 |
1 |
275 |
◊ |
B |
x,y,z |
1_555 |
10 |
4 |
29197 |
72.3 |
-1.2 |
0.669 |
0 |
0 |
0 |
0.006 |
42 |
|
[DIB]F:8 |
5 |
1 |
275 |
◊ |
A |
x,y,z |
1_555 |
12 |
4 |
29038 |
71.3 |
-0.9 |
0.741 |
0 |
0 |
0 |
0.006 |
43 |
|
[DIB]H:8 |
6 |
1 |
274 |
◊ |
C |
x,y,z |
1_555 |
10 |
3 |
28788 |
69.7 |
-0.7 |
0.792 |
0 |
0 |
0 |
0.006 |
Average: |
71.1 |
-1.0 |
0.734 |
0 |
0 |
0 |
0.006 |
23 |
44 |
|
[DIB]J:8 |
5 |
1 |
280 |
◊ |
C |
x,y,z |
1_555 |
10 |
4 |
28788 |
67.6 |
-1.2 |
0.675 |
0 |
0 |
0 |
0.000 |
45 |
|
A |
10 |
4 |
29038 |
◊ |
[DIB]I:8 |
-x-1/2,y-1/2,-z+1 |
4_446 |
5 |
1 |
278 |
58.8 |
-1.1 |
0.671 |
0 |
0 |
0 |
0.000 |
Average: |
63.2 |
-1.1 |
0.673 |
0 |
0 |
0 |
0.000 |
24 |
46 |
|
[DIB]G:8 |
6 |
1 |
275 |
cf |
G |
x,y,z |
1_555 |
9 |
2 |
1495 |
66.8 |
0.2 |
0.672 |
1 |
0 |
0 |
0.001 |
47 |
|
[DIB]H:8 |
6 |
1 |
274 |
cf |
H |
x,y,z |
1_555 |
8 |
2 |
1495 |
65.4 |
0.3 |
0.664 |
1 |
0 |
0 |
0.001 |
48 |
|
[DIB]F:8 |
6 |
1 |
275 |
cf |
F |
x,y,z |
1_555 |
7 |
2 |
1499 |
65.2 |
0.3 |
0.664 |
1 |
0 |
0 |
0.001 |
Average: |
65.8 |
0.3 |
0.667 |
1 |
0 |
0 |
0.001 |
25 |
49 |
|
G |
8 |
4 |
1495 |
◊ |
A |
x,y,z |
1_555 |
11 |
3 |
29038 |
63.8 |
-1.9 |
0.325 |
0 |
0 |
0 |
0.000 |
26 |
50 |
|
[DIB]I:8 |
6 |
1 |
278 |
cf |
I |
x,y,z |
1_555 |
9 |
2 |
1515 |
59.4 |
-0.6 |
0.518 |
1 |
0 |
0 |
0.000 |
51 |
|
[DIB]J:8 |
6 |
1 |
280 |
cf |
J |
x,y,z |
1_555 |
9 |
2 |
1507 |
58.9 |
-0.4 |
0.540 |
1 |
0 |
0 |
0.000 |
Average: |
59.2 |
-0.5 |
0.529 |
1 |
0 |
0 |
0.000 |
27 |
52 |
|
[WOO]J:103 |
4 |
1 |
276 |
◊ |
C |
-x,y,-z+2 |
2_557 |
5 |
2 |
28788 |
46.8 |
0.9 |
0.471 |
0 |
0 |
0 |
0.000 |
53 |
|
[WOO]I:103 |
3 |
1 |
278 |
◊ |
B |
x,y,z |
1_555 |
6 |
2 |
29197 |
41.7 |
0.8 |
0.488 |
0 |
0 |
0 |
0.000 |
Average: |
44.3 |
0.8 |
0.480 |
0 |
0 |
0 |
0.000 |
28 |
54 |
|
[F8X]J:102 |
6 |
1 |
303 |
◊ |
B |
x,y,z |
1_555 |
6 |
4 |
29197 |
45.5 |
1.0 |
0.504 |
1 |
0 |
0 |
0.000 |
55 |
|
C |
6 |
5 |
28788 |
◊ |
[F8X]I:102 |
-x-1/2,y-1/2,-z+2 |
4_447 |
5 |
1 |
303 |
39.4 |
0.3 |
0.433 |
1 |
0 |
0 |
0.000 |
Average: |
42.4 |
0.6 |
0.468 |
1 |
0 |
0 |
0.000 |
29 |
56 |
|
C |
8 |
5 |
28788 |
◊ |
[DIB]I:8 |
-x-1/2,y-1/2,-z+2 |
4_447 |
6 |
1 |
278 |
42.4 |
-0.1 |
0.687 |
0 |
0 |
0 |
0.000 |
57 |
|
[DIB]J:8 |
6 |
1 |
280 |
◊ |
B |
x,y,z |
1_555 |
8 |
5 |
29197 |
41.8 |
-0.1 |
0.692 |
0 |
0 |
0 |
0.000 |
Average: |
42.1 |
-0.1 |
0.690 |
0 |
0 |
0 |
0.000 |
30 |
58 |
|
C |
3 |
2 |
28788 |
◊ |
B |
-x-1/2,y-1/2,-z+2 |
4_447 |
6 |
3 |
29197 |
32.9 |
-0.8 |
0.247 |
0 |
0 |
0 |
0.000 |
59 |
|
C |
6 |
3 |
28788 |
◊ |
B |
-x,y,-z+2 |
2_557 |
2 |
2 |
29197 |
31.5 |
-0.8 |
0.202 |
0 |
0 |
0 |
0.000 |
Average: |
32.2 |
-0.8 |
0.224 |
0 |
0 |
0 |
0.000 |
31 |
60 |
|
B |
4 |
1 |
29197 |
◊ |
A |
-x-1/2,y-1/2,-z+1 |
4_446 |
2 |
2 |
29038 |
22.7 |
0.7 |
0.737 |
0 |
0 |
0 |
0.000 |
32 |
61 |
|
[F8F]G:101 |
2 |
1 |
313 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
29038 |
12.4 |
-0.1 |
0.487 |
0 |
0 |
0 |
0.000 |
33 |
62 |
|
[MAN]G:103 |
2 |
1 |
290 |
◊ |
B |
x,y,z |
1_555 |
2 |
2 |
29197 |
9.1 |
0.3 |
0.459 |
0 |
0 |
0 |
0.000 |
63 |
|
[MAN]F:103 |
2 |
1 |
288 |
◊ |
A |
x,y,z |
1_555 |
2 |
2 |
29038 |
4.0 |
0.1 |
0.457 |
0 |
0 |
0 |
0.000 |
64 |
|
[MAN]H:103 |
2 |
1 |
291 |
◊ |
C |
x,y,z |
1_555 |
2 |
2 |
28788 |
3.7 |
0.1 |
0.443 |
0 |
0 |
0 |
0.000 |
Average: |
5.6 |
0.2 |
0.453 |
0 |
0 |
0 |
0.000 |
34 |
65 |
|
C |
2 |
1 |
28788 |
x |
C |
-x-1/2,y-1/2,-z+2 |
4_447 |
1 |
1 |
28788 |
2.5 |
-0.0 |
0.657 |
0 |
0 |
0 |
0.000 |
66 |
|
B |
2 |
1 |
29197 |
x |
A |
-x,y,-z+1 |
2_556 |
1 |
1 |
29038 |
1.7 |
0.0 |
0.672 |
0 |
0 |
0 |
0.000 |
Average: |
2.1 |
-0.0 |
0.665 |
0 |
0 |
0 |
0.000 |
|