| ## |
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 |
|
J |
647 |
146 |
32079 |
◊ |
I |
x,y,z |
1_555 |
662 |
146 |
32204 |
6413.0 |
-81.7 |
0.996 |
387 |
0 |
0 |
0.920 |
| 2 |
2 |
|
F |
234 |
56 |
7573 |
◊ |
E |
x,y,z |
1_555 |
260 |
59 |
8659 |
2512.5 |
-41.6 |
0.037 |
24 |
5 |
0 |
0.836 |
3 |
|
B |
228 |
51 |
6403 |
◊ |
A |
x,y,z |
1_555 |
245 |
56 |
8596 |
2393.1 |
-40.7 |
0.046 |
22 |
6 |
0 |
0.836 |
| Average: |
2452.8 |
-41.1 |
0.042 |
23 |
6 |
0 |
0.836 |
| 3 |
4 |
|
D |
253 |
62 |
7807 |
◊ |
C |
x,y,z |
1_555 |
258 |
63 |
8989 |
2480.2 |
-41.6 |
0.054 |
22 |
5 |
0 |
0.829 |
5 |
|
H |
246 |
62 |
7654 |
◊ |
G |
x,y,z |
1_555 |
248 |
62 |
8726 |
2432.6 |
-42.3 |
0.041 |
24 |
9 |
0 |
0.829 |
| Average: |
2456.4 |
-41.9 |
0.047 |
23 |
7 |
0 |
0.829 |
| 4 |
6 |
|
J |
104 |
21 |
32079 |
◊ |
A |
x,y,z |
1_555 |
78 |
23 |
8596 |
769.2 |
-9.3 |
0.753 |
14 |
0 |
0 |
0.201 |
| 5 |
7 |
|
I |
104 |
22 |
32204 |
◊ |
E |
x,y,z |
1_555 |
79 |
23 |
8659 |
759.6 |
-3.9 |
0.898 |
13 |
0 |
0 |
0.104 |
| 6 |
8 |
|
J |
94 |
18 |
32079 |
◊ |
E |
x,y,z |
1_555 |
79 |
22 |
8659 |
710.4 |
-10.1 |
0.739 |
11 |
0 |
0 |
0.289 |
| 7 |
9 |
|
I |
88 |
16 |
32204 |
◊ |
A |
x,y,z |
1_555 |
72 |
22 |
8596 |
690.1 |
-14.0 |
0.570 |
15 |
0 |
0 |
0.221 |
| 8 |
10 |
|
C |
61 |
16 |
8989 |
◊ |
E |
x,y,z |
1_555 |
58 |
20 |
8659 |
650.4 |
-7.9 |
0.281 |
6 |
0 |
0 |
0.164 |
11 |
|
G |
58 |
16 |
8726 |
◊ |
A |
x,y,z |
1_555 |
58 |
20 |
8596 |
646.1 |
-8.0 |
0.269 |
7 |
0 |
0 |
0.164 |
| Average: |
648.3 |
-7.9 |
0.275 |
7 |
0 |
0 |
0.164 |
| 9 |
12 |
|
E |
57 |
14 |
8659 |
◊ |
A |
x,y,z |
1_555 |
56 |
14 |
8596 |
584.1 |
-13.1 |
0.096 |
2 |
2 |
0 |
0.419 |
| 10 |
13 |
|
J |
72 |
15 |
32079 |
◊ |
C |
x,y,z |
1_555 |
53 |
19 |
8989 |
519.8 |
-6.1 |
0.730 |
10 |
0 |
0 |
0.109 |
| 11 |
14 |
|
I |
61 |
13 |
32204 |
◊ |
G |
x,y,z |
1_555 |
53 |
18 |
8726 |
483.1 |
-8.0 |
0.619 |
11 |
0 |
0 |
0.441 |
| 12 |
15 |
|
D |
50 |
12 |
7807 |
◊ |
B |
x,y,z |
1_555 |
49 |
11 |
6403 |
475.5 |
-2.0 |
0.674 |
5 |
3 |
0 |
0.186 |
16 |
|
H |
50 |
11 |
7654 |
◊ |
F |
x,y,z |
1_555 |
48 |
11 |
7573 |
473.4 |
-2.9 |
0.599 |
7 |
2 |
0 |
0.186 |
| Average: |
474.4 |
-2.5 |
0.636 |
6 |
3 |
0 |
0.186 |
| 13 |
17 |
|
I |
65 |
12 |
32204 |
◊ |
C |
x,y,z |
1_555 |
53 |
16 |
8989 |
433.3 |
-6.8 |
0.680 |
6 |
0 |
0 |
0.242 |
| 14 |
18 |
|
J |
61 |
14 |
32079 |
◊ |
G |
x,y,z |
1_555 |
53 |
15 |
8726 |
424.1 |
-6.8 |
0.672 |
8 |
0 |
0 |
0.235 |
| 15 |
19 |
|
G |
44 |
14 |
8726 |
◊ |
B |
x,y,z |
1_555 |
50 |
13 |
6403 |
408.7 |
-2.9 |
0.490 |
6 |
0 |
0 |
0.146 |
20 |
|
C |
45 |
13 |
8989 |
◊ |
F |
x,y,z |
1_555 |
49 |
12 |
7573 |
397.8 |
-3.5 |
0.407 |
5 |
0 |
0 |
0.146 |
| Average: |
403.3 |
-3.2 |
0.449 |
6 |
0 |
0 |
0.146 |
| 16 |
21 |
|
I |
56 |
13 |
32204 |
◊ |
D |
x,y,z |
1_555 |
38 |
12 |
7807 |
403.0 |
-6.8 |
0.657 |
10 |
0 |
0 |
0.189 |
| 17 |
22 |
|
K |
40 |
9 |
1267 |
◊ |
H |
x,y,z |
1_555 |
39 |
11 |
7654 |
360.2 |
-1.9 |
0.571 |
3 |
0 |
0 |
0.043 |
| 18 |
23 |
|
J |
43 |
8 |
32079 |
◊ |
B |
x,y,z |
1_555 |
46 |
16 |
6403 |
355.4 |
-6.2 |
0.580 |
8 |
0 |
0 |
0.222 |
| 19 |
24 |
|
K |
29 |
9 |
1267 |
◊ |
G |
x,y,z |
1_555 |
45 |
14 |
8726 |
353.4 |
-1.1 |
0.556 |
8 |
10 |
0 |
0.082 |
| 20 |
25 |
|
I |
43 |
8 |
32204 |
◊ |
F |
x,y,z |
1_555 |
41 |
14 |
7573 |
330.6 |
-7.2 |
0.509 |
7 |
0 |
0 |
0.263 |
| 21 |
26 |
|
J |
48 |
12 |
32079 |
◊ |
F |
x,y,z |
1_555 |
37 |
13 |
7573 |
323.5 |
-5.3 |
0.622 |
3 |
0 |
0 |
0.097 |
| 22 |
27 |
|
J |
40 |
7 |
32079 |
◊ |
D |
x,y,z |
1_555 |
39 |
11 |
7807 |
313.3 |
-4.6 |
0.670 |
5 |
0 |
0 |
0.100 |
| 23 |
28 |
|
J |
40 |
10 |
32079 |
◊ |
H |
x,y,z |
1_555 |
36 |
12 |
7654 |
311.0 |
-9.1 |
0.420 |
10 |
0 |
0 |
0.523 |
| 24 |
29 |
|
D |
32 |
8 |
7807 |
◊ |
F |
-x,y-1/2,-z-1/2 |
3_544 |
33 |
8 |
7573 |
296.8 |
0.6 |
0.747 |
4 |
3 |
0 |
0.003 |
| 25 |
30 |
|
I |
36 |
5 |
32204 |
◊ |
H |
x,y,z |
1_555 |
34 |
10 |
7654 |
277.7 |
-4.6 |
0.629 |
6 |
0 |
0 |
0.123 |
| 26 |
31 |
|
H |
34 |
11 |
7654 |
◊ |
B |
x,y,z |
1_555 |
28 |
7 |
6403 |
245.3 |
-3.0 |
0.499 |
3 |
0 |
0 |
0.134 |
32 |
|
D |
28 |
11 |
7807 |
◊ |
F |
x,y,z |
1_555 |
26 |
7 |
7573 |
231.7 |
-1.8 |
0.550 |
4 |
0 |
0 |
0.134 |
| Average: |
238.5 |
-2.4 |
0.524 |
4 |
0 |
0 |
0.134 |
| 27 |
33 |
|
I |
34 |
9 |
32204 |
◊ |
B |
x,y,z |
1_555 |
26 |
10 |
6403 |
235.6 |
-2.7 |
0.680 |
3 |
0 |
0 |
0.067 |
| 28 |
34 |
|
C |
28 |
8 |
8989 |
◊ |
F |
-x,y-1/2,-z-1/2 |
3_544 |
23 |
7 |
7573 |
223.2 |
-1.5 |
0.513 |
1 |
3 |
0 |
0.004 |
| 29 |
35 |
|
G |
19 |
4 |
8726 |
◊ |
C |
x,y,z |
1_555 |
17 |
5 |
8989 |
150.8 |
1.3 |
0.789 |
4 |
0 |
0 |
0.003 |
| 30 |
36 |
|
J |
23 |
4 |
32079 |
◊ |
I |
x-1/2,-y+1/2,-z-1 |
4_454 |
22 |
3 |
32204 |
109.9 |
1.9 |
0.878 |
0 |
0 |
0 |
0.000 |
| 31 |
37 |
|
I |
16 |
2 |
32204 |
◊ |
J |
x-1/2,-y+1/2,-z-1 |
4_454 |
19 |
4 |
32079 |
109.3 |
-1.0 |
0.714 |
0 |
0 |
0 |
0.000 |
| 32 |
38 |
|
C |
14 |
3 |
8989 |
◊ |
E |
-x,y-1/2,-z-1/2 |
3_544 |
16 |
6 |
8659 |
107.6 |
0.6 |
0.715 |
1 |
0 |
0 |
0.000 |
| 33 |
39 |
|
D |
12 |
6 |
7807 |
◊ |
J |
-x,y-1/2,-z-1/2 |
3_544 |
10 |
4 |
32079 |
100.1 |
-3.3 |
0.396 |
0 |
0 |
0 |
0.005 |
| 34 |
40 |
|
J |
12 |
2 |
32079 |
x |
J |
x-1/2,-y+1/2,-z-1 |
4_454 |
10 |
1 |
32079 |
85.7 |
1.4 |
0.786 |
0 |
0 |
0 |
0.000 |
| 35 |
41 |
|
D |
13 |
4 |
7807 |
◊ |
I |
-x,y-1/2,-z-1/2 |
3_544 |
11 |
3 |
32204 |
82.2 |
-2.7 |
0.444 |
0 |
0 |
0 |
0.004 |
| 36 |
42 |
|
I |
10 |
2 |
32204 |
◊ |
K |
-x,y-1/2,-z-1/2 |
3_544 |
8 |
2 |
1267 |
76.6 |
-2.0 |
0.455 |
0 |
0 |
0 |
0.003 |
| 37 |
43 |
|
D |
8 |
4 |
7807 |
◊ |
G |
x,y,z |
1_555 |
9 |
3 |
8726 |
71.4 |
0.3 |
0.715 |
1 |
0 |
0 |
0.006 |
44 |
|
H |
5 |
1 |
7654 |
◊ |
C |
x,y,z |
1_555 |
6 |
3 |
8989 |
53.6 |
-0.5 |
0.492 |
0 |
0 |
0 |
0.006 |
| Average: |
62.5 |
-0.1 |
0.604 |
1 |
0 |
0 |
0.006 |
| 38 |
45 |
|
I |
11 |
3 |
32204 |
◊ |
H |
-x,y-1/2,-z-1/2 |
3_544 |
8 |
3 |
7654 |
67.0 |
-1.7 |
0.554 |
1 |
0 |
0 |
0.004 |
| 39 |
46 |
|
A |
6 |
2 |
8596 |
◊ |
I |
-x-1,y-1/2,-z-1/2 |
3_444 |
9 |
3 |
32204 |
65.1 |
-1.7 |
0.517 |
1 |
0 |
0 |
0.000 |
| 40 |
47 |
|
D |
6 |
4 |
7807 |
◊ |
E |
-x,y-1/2,-z-1/2 |
3_544 |
9 |
3 |
8659 |
63.4 |
-0.1 |
0.657 |
0 |
0 |
0 |
0.000 |
| 41 |
48 |
|
[MN]J:2002 |
1 |
1 |
123 |
cf |
J |
x,y,z |
1_555 |
9 |
3 |
32079 |
59.3 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.171 |
| 42 |
49 |
|
[CL]A:1001 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
11 |
4 |
8596 |
58.3 |
-8.8 |
0.000 |
0 |
0 |
0 |
0.516 |
50 |
|
[CL]E:1001 |
1 |
1 |
125 |
f |
E |
x,y,z |
1_555 |
11 |
4 |
8659 |
57.9 |
-8.8 |
0.000 |
0 |
0 |
0 |
0.516 |
| Average: |
58.1 |
-8.8 |
0.000 |
0 |
0 |
0 |
0.516 |
| 43 |
51 |
|
C |
7 |
4 |
8989 |
◊ |
A |
x,y,z |
1_555 |
8 |
4 |
8596 |
56.5 |
1.7 |
0.851 |
0 |
0 |
0 |
0.000 |
52 |
|
G |
4 |
3 |
8726 |
◊ |
E |
x,y,z |
1_555 |
3 |
2 |
8659 |
27.6 |
0.6 |
0.807 |
0 |
0 |
0 |
0.000 |
| Average: |
42.0 |
1.1 |
0.829 |
0 |
0 |
0 |
0.000 |
| 44 |
53 |
|
[MN]I:2002 |
1 |
1 |
123 |
f |
I |
x,y,z |
1_555 |
9 |
3 |
32204 |
56.1 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.131 |
| 45 |
54 |
|
[MN]J:2001 |
1 |
1 |
123 |
f |
J |
x,y,z |
1_555 |
7 |
3 |
32079 |
53.8 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.176 |
| 46 |
55 |
|
[MN]I:2001 |
1 |
1 |
123 |
f |
I |
x,y,z |
1_555 |
9 |
3 |
32204 |
52.5 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.128 |
| 47 |
56 |
|
[NH2]K:16 |
1 |
1 |
117 |
cf |
K |
x,y,z |
1_555 |
4 |
2 |
1267 |
49.1 |
0.1 |
0.596 |
0 |
0 |
0 |
0.000 |
| 48 |
57 |
|
J |
5 |
2 |
32079 |
◊ |
H |
-x,y-1/2,-z-1/2 |
3_544 |
4 |
3 |
7654 |
48.7 |
-1.0 |
0.493 |
1 |
0 |
0 |
0.003 |
| 49 |
58 |
|
[MN]J:2003 |
1 |
1 |
123 |
f |
J |
x,y,z |
1_555 |
9 |
3 |
32079 |
48.4 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.131 |
| 50 |
59 |
|
[MN]E:1002 |
1 |
1 |
123 |
f |
E |
x,y,z |
1_555 |
8 |
3 |
8659 |
48.1 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.065 |
| 51 |
60 |
|
[CL]C:1001 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
8 |
4 |
8989 |
45.3 |
-6.1 |
0.000 |
0 |
0 |
0 |
0.205 |
61 |
|
[CL]G:1001 |
1 |
1 |
125 |
f |
G |
x,y,z |
1_555 |
9 |
4 |
8726 |
44.9 |
-6.0 |
0.000 |
0 |
0 |
0 |
0.205 |
| Average: |
45.1 |
-6.1 |
0.000 |
0 |
0 |
0 |
0.205 |
| 52 |
62 |
|
[CL]C:1001 |
1 |
1 |
125 |
◊ |
D |
x,y,z |
1_555 |
7 |
3 |
7807 |
43.4 |
-5.3 |
0.000 |
0 |
0 |
0 |
0.084 |
63 |
|
[CL]G:1001 |
1 |
1 |
125 |
◊ |
H |
x,y,z |
1_555 |
7 |
3 |
7654 |
41.3 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.084 |
| Average: |
42.3 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.084 |
| 53 |
64 |
|
D |
8 |
4 |
7807 |
◊ |
[MN]E:1002 |
-x,y-1/2,-z-1/2 |
3_544 |
1 |
1 |
123 |
34.1 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.003 |
| 54 |
65 |
|
I |
5 |
2 |
32204 |
◊ |
J |
-x-1,y-1/2,-z-1/2 |
3_444 |
2 |
2 |
32079 |
23.2 |
-2.3 |
0.282 |
0 |
0 |
0 |
0.000 |
| 55 |
66 |
|
J |
5 |
3 |
32079 |
◊ |
I |
-x-1,y-1/2,-z-1/2 |
3_444 |
6 |
2 |
32204 |
22.9 |
-1.2 |
0.503 |
0 |
0 |
0 |
0.000 |
| 56 |
67 |
|
I |
6 |
1 |
32204 |
◊ |
E |
x-1/2,-y+1/2,-z-1 |
4_454 |
3 |
1 |
8659 |
21.8 |
0.8 |
0.775 |
0 |
0 |
0 |
0.000 |
| 57 |
68 |
|
[CL]G:1001 |
1 |
1 |
125 |
◊ |
I |
x,y,z |
1_555 |
1 |
1 |
32204 |
18.5 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.095 |
| 58 |
69 |
|
C |
2 |
1 |
8989 |
◊ |
J |
-x,y-1/2,-z-1/2 |
3_544 |
4 |
2 |
32079 |
18.4 |
0.1 |
0.648 |
0 |
0 |
0 |
0.000 |
| 59 |
70 |
|
[MN]I:2001 |
1 |
1 |
123 |
◊ |
J |
x,y,z |
1_555 |
1 |
1 |
32079 |
16.9 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.002 |
| 60 |
71 |
|
[CL]C:1001 |
1 |
1 |
125 |
◊ |
J |
x,y,z |
1_555 |
1 |
1 |
32079 |
16.8 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.026 |
| 61 |
72 |
|
C |
3 |
1 |
8989 |
◊ |
[MN]E:1002 |
-x,y-1/2,-z-1/2 |
3_544 |
1 |
1 |
123 |
16.7 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.000 |
| 62 |
73 |
|
I |
3 |
1 |
32204 |
x |
I |
x-1/2,-y+1/2,-z-1 |
4_454 |
1 |
1 |
32204 |
16.5 |
-0.0 |
0.580 |
0 |
0 |
0 |
0.000 |
| 63 |
74 |
|
I |
2 |
1 |
32204 |
x |
I |
-x-1/2,-y,z-1/2 |
2_454 |
3 |
2 |
32204 |
16.5 |
-0.7 |
0.370 |
0 |
0 |
0 |
0.000 |
| 64 |
75 |
|
[MN]J:2001 |
1 |
1 |
123 |
◊ |
I |
x,y,z |
1_555 |
2 |
2 |
32204 |
16.4 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.002 |
| 65 |
76 |
|
[MN]E:1002 |
1 |
1 |
123 |
◊ |
F |
x,y,z |
1_555 |
3 |
2 |
7573 |
15.3 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.009 |
| 66 |
77 |
|
J |
3 |
1 |
32079 |
x |
J |
x-1/2,-y+1/2,-z |
4_455 |
1 |
1 |
32079 |
13.3 |
-1.3 |
0.263 |
0 |
0 |
0 |
0.000 |
| 67 |
78 |
|
[CL]E:1001 |
1 |
1 |
125 |
◊ |
F |
x,y,z |
1_555 |
2 |
1 |
7573 |
12.5 |
-1.4 |
0.000 |
0 |
0 |
0 |
0.022 |
79 |
|
[CL]A:1001 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
6403 |
11.3 |
-1.3 |
0.000 |
0 |
0 |
0 |
0.022 |
| Average: |
11.9 |
-1.4 |
0.000 |
0 |
0 |
0 |
0.022 |
| 68 |
80 |
|
H |
4 |
2 |
7654 |
◊ |
D |
x,y,z |
1_555 |
4 |
2 |
7807 |
12.2 |
0.0 |
0.708 |
0 |
0 |
0 |
0.000 |
| 69 |
81 |
|
[NH2]K:16 |
1 |
1 |
117 |
◊ |
H |
x,y,z |
1_555 |
1 |
1 |
7654 |
9.7 |
0.3 |
0.921 |
0 |
0 |
0 |
0.000 |
| 70 |
82 |
|
[MN]J:2002 |
1 |
1 |
123 |
◊ |
I |
x,y,z |
1_555 |
1 |
1 |
32204 |
5.8 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.002 |
| 71 |
83 |
|
[MN]I:2002 |
1 |
1 |
123 |
◊ |
J |
x,y,z |
1_555 |
2 |
2 |
32079 |
5.7 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.000 |
| 72 |
84 |
|
[MN]J:2003 |
1 |
1 |
123 |
◊ |
I |
x,y,z |
1_555 |
1 |
1 |
32204 |
5.4 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.000 |
| 73 |
85 |
|
I |
1 |
1 |
32204 |
◊ |
J |
x-1/2,-y+1/2,-z |
4_455 |
1 |
1 |
32079 |
4.1 |
-0.4 |
0.188 |
0 |
0 |
0 |
0.000 |
| 74 |
86 |
|
I |
2 |
1 |
32204 |
◊ |
J |
x-1,y,z |
1_455 |
1 |
1 |
32079 |
2.4 |
-0.2 |
0.305 |
0 |
0 |
0 |
0.000 |
|