| ## |
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 |
|
A |
117 |
16 |
10849 |
◊ |
D |
x,y,z |
1_555 |
109 |
33 |
5850 |
986.7 |
-8.9 |
0.884 |
21 |
0 |
0 |
0.033 |
2 |
|
B |
114 |
14 |
10871 |
◊ |
C |
x,y,z |
1_555 |
106 |
31 |
5676 |
980.1 |
-7.3 |
0.854 |
17 |
0 |
0 |
0.033 |
| Average: |
983.4 |
-8.1 |
0.869 |
19 |
0 |
0 |
0.033 |
| 2 |
3 |
|
C |
57 |
16 |
5676 |
◊ |
D |
-x+1,y-1/2,-z+1 |
2_646 |
58 |
15 |
5850 |
493.6 |
-5.1 |
0.368 |
0 |
0 |
0 |
0.000 |
| 3 |
4 |
|
B |
55 |
11 |
10871 |
◊ |
A |
x,y,z |
1_555 |
55 |
11 |
10849 |
456.9 |
-12.8 |
0.808 |
9 |
0 |
0 |
0.000 |
5 |
|
A |
52 |
10 |
10849 |
◊ |
B |
x,y,z-1 |
1_554 |
53 |
9 |
10871 |
451.9 |
-13.0 |
0.783 |
9 |
0 |
0 |
0.000 |
| Average: |
454.4 |
-12.9 |
0.796 |
9 |
0 |
0 |
0.000 |
| 4 |
6 |
|
A |
39 |
8 |
10849 |
◊ |
D |
-x+1,y-1/2,-z+1 |
2_646 |
42 |
12 |
5850 |
304.4 |
-5.7 |
0.626 |
3 |
0 |
0 |
0.015 |
7 |
|
C |
31 |
10 |
5676 |
◊ |
B |
-x+1,y-1/2,-z+2 |
2_647 |
29 |
8 |
10871 |
251.5 |
-5.8 |
0.580 |
2 |
0 |
0 |
0.015 |
| Average: |
278.0 |
-5.7 |
0.603 |
3 |
0 |
0 |
0.015 |
| 5 |
8 |
|
B |
27 |
3 |
10871 |
◊ |
C |
x-1,y,z |
1_455 |
22 |
7 |
5676 |
191.8 |
1.1 |
0.770 |
2 |
0 |
0 |
0.000 |
| 6 |
9 |
|
B |
23 |
5 |
10871 |
◊ |
A |
x-1,y,z |
1_455 |
22 |
5 |
10849 |
186.8 |
-5.0 |
0.724 |
2 |
0 |
0 |
0.006 |
| 7 |
10 |
|
[CS]B:114 |
1 |
1 |
216 |
f |
B |
x,y,z |
1_555 |
19 |
7 |
10871 |
126.7 |
-36.0 |
0.000 |
0 |
0 |
0 |
0.081 |
| 8 |
11 |
|
[K]A:105 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
14 |
4 |
10849 |
113.5 |
-81.1 |
0.000 |
0 |
0 |
0 |
0.178 |
12 |
|
[K]B:104 |
1 |
1 |
216 |
f |
B |
x,y,z |
1_555 |
20 |
8 |
10871 |
113.4 |
-79.1 |
0.000 |
0 |
0 |
0 |
0.178 |
| Average: |
113.4 |
-80.1 |
0.000 |
0 |
0 |
0 |
0.178 |
| 9 |
13 |
|
B |
18 |
6 |
10871 |
◊ |
D |
x,y,z |
1_555 |
9 |
3 |
5850 |
111.0 |
-1.3 |
0.717 |
2 |
0 |
0 |
0.000 |
14 |
|
A |
5 |
1 |
10849 |
◊ |
C |
x,y,z-1 |
1_554 |
3 |
1 |
5676 |
24.1 |
0.1 |
0.713 |
0 |
0 |
0 |
0.000 |
| Average: |
67.5 |
-0.6 |
0.715 |
1 |
0 |
0 |
0.000 |
| 10 |
15 |
|
[CS]A:112 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
14 |
5 |
10849 |
110.4 |
-29.6 |
0.000 |
0 |
0 |
0 |
0.068 |
16 |
|
[CS]B:115 |
1 |
1 |
216 |
f |
B |
x,y,z |
1_555 |
16 |
5 |
10871 |
110.0 |
-30.2 |
0.000 |
0 |
0 |
0 |
0.068 |
| Average: |
110.2 |
-29.9 |
0.000 |
0 |
0 |
0 |
0.068 |
| 11 |
17 |
|
[K]A:102 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
18 |
7 |
10849 |
108.3 |
-69.4 |
0.000 |
0 |
0 |
0 |
0.114 |
| 12 |
18 |
|
[K]B:103 |
1 |
1 |
216 |
f |
B |
x,y,z |
1_555 |
18 |
10 |
10871 |
107.4 |
-73.9 |
0.000 |
0 |
0 |
0 |
0.166 |
| 13 |
19 |
|
[CS]A:114 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
18 |
9 |
10849 |
105.8 |
-30.2 |
0.000 |
0 |
0 |
0 |
0.050 |
| 14 |
20 |
|
B |
15 |
4 |
10871 |
x |
B |
x-1,y,z |
1_455 |
15 |
2 |
10871 |
104.9 |
-3.4 |
0.654 |
1 |
0 |
0 |
0.000 |
| 15 |
21 |
|
[CS]B:113 |
1 |
1 |
216 |
f |
B |
x,y,z |
1_555 |
20 |
8 |
10871 |
104.6 |
-28.0 |
0.000 |
0 |
0 |
0 |
0.063 |
22 |
|
[CS]A:113 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
19 |
8 |
10849 |
96.4 |
-26.9 |
0.000 |
0 |
0 |
0 |
0.063 |
| Average: |
100.5 |
-27.4 |
0.000 |
0 |
0 |
0 |
0.063 |
| 16 |
23 |
|
[CS]B:116 |
1 |
1 |
216 |
f |
B |
x,y,z |
1_555 |
10 |
3 |
10871 |
90.9 |
-23.0 |
0.000 |
0 |
0 |
0 |
0.052 |
| 17 |
24 |
|
[K]A:103 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
19 |
7 |
10849 |
87.2 |
-49.9 |
0.000 |
0 |
0 |
0 |
0.082 |
| 18 |
25 |
|
[K]B:102 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
11 |
3 |
10849 |
85.9 |
-53.6 |
0.000 |
0 |
0 |
0 |
0.088 |
| 19 |
26 |
|
[K]A:104 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
11 |
4 |
10849 |
73.2 |
-40.7 |
0.000 |
0 |
0 |
0 |
0.067 |
| 20 |
27 |
|
[NA]B:112 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
12 |
3 |
10871 |
68.9 |
-10.3 |
0.000 |
0 |
0 |
0 |
0.023 |
| 21 |
28 |
|
[K]B:104 |
1 |
1 |
216 |
f |
[K]B:103 |
x,y,z |
1_555 |
1 |
1 |
216 |
63.7 |
-63.7 |
0.000 |
0 |
0 |
0 |
0.143 |
| 22 |
29 |
|
A |
6 |
2 |
10849 |
◊ |
[CS]B:116 |
x,y,z-1 |
1_554 |
1 |
1 |
216 |
63.1 |
-15.5 |
0.000 |
0 |
0 |
0 |
0.000 |
| 23 |
30 |
|
[MG]A:107 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
10 |
5 |
10849 |
62.7 |
-9.3 |
0.000 |
0 |
0 |
0 |
0.022 |
31 |
|
[MG]B:106 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
9 |
4 |
10871 |
59.8 |
-9.6 |
0.000 |
0 |
0 |
0 |
0.022 |
| Average: |
61.3 |
-9.5 |
0.000 |
0 |
0 |
0 |
0.022 |
| 24 |
32 |
|
[NA]B:109 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
12 |
4 |
10871 |
62.6 |
-8.1 |
0.000 |
0 |
0 |
0 |
0.018 |
| 25 |
33 |
|
[NA]B:110 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
14 |
3 |
10871 |
62.2 |
-8.9 |
0.000 |
0 |
0 |
0 |
0.020 |
| 26 |
34 |
|
[K]B:102 |
1 |
1 |
216 |
◊ |
B |
x,y,z |
1_555 |
11 |
2 |
10871 |
62.2 |
-35.9 |
0.000 |
0 |
0 |
0 |
0.000 |
| 27 |
35 |
|
[CS]A:113 |
1 |
1 |
216 |
f |
[K]A:103 |
x,y,z |
1_555 |
1 |
1 |
216 |
54.1 |
-37.6 |
0.000 |
0 |
0 |
0 |
0.062 |
| 28 |
36 |
|
[MG]C:101 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
11 |
4 |
5676 |
54.0 |
-6.7 |
0.000 |
0 |
0 |
0 |
0.100 |
| 29 |
37 |
|
[NA]B:111 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
8 |
3 |
10871 |
52.4 |
-8.2 |
0.000 |
0 |
0 |
0 |
0.018 |
| 30 |
38 |
|
C |
6 |
2 |
5676 |
◊ |
A |
-x+2,y-1/2,-z+2 |
2_747 |
6 |
1 |
10849 |
51.7 |
-0.8 |
0.549 |
1 |
0 |
0 |
0.001 |
| 31 |
39 |
|
[K]A:103 |
1 |
1 |
216 |
f |
[K]A:102 |
x,y,z |
1_555 |
1 |
1 |
216 |
47.6 |
-47.6 |
0.000 |
0 |
0 |
0 |
0.078 |
| 32 |
40 |
|
[K]A:104 |
1 |
1 |
216 |
◊ |
B |
x,y,z |
1_555 |
4 |
2 |
10871 |
44.4 |
-23.8 |
0.000 |
0 |
0 |
0 |
0.000 |
| 33 |
41 |
|
[CS]B:114 |
1 |
1 |
216 |
f |
[CS]B:113 |
x,y,z |
1_555 |
1 |
1 |
216 |
42.8 |
-17.1 |
0.000 |
0 |
0 |
0 |
0.039 |
| 34 |
42 |
|
[CS]A:114 |
1 |
1 |
216 |
f |
[K]A:105 |
x,y,z |
1_555 |
1 |
1 |
216 |
42.2 |
-29.6 |
0.000 |
0 |
0 |
0 |
0.049 |
| 35 |
43 |
|
[MG]A:110 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
6 |
2 |
10849 |
40.6 |
-6.1 |
0.000 |
0 |
0 |
0 |
0.010 |
| 36 |
44 |
|
[MG]B:108 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
7 |
3 |
10871 |
39.1 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.012 |
45 |
|
[MG]A:106 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
10 |
5 |
10849 |
37.7 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.012 |
| Average: |
38.4 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.012 |
| 37 |
46 |
|
[MG]B:107 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
7 |
3 |
10871 |
38.7 |
-5.3 |
0.000 |
0 |
0 |
0 |
0.012 |
47 |
|
[MG]A:108 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
8 |
2 |
10849 |
29.7 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.012 |
| Average: |
34.2 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.012 |
| 38 |
48 |
|
C |
4 |
2 |
5676 |
◊ |
[NA]B:111 |
-x+1,y-1/2,-z+2 |
2_647 |
1 |
1 |
125 |
36.9 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.009 |
| 39 |
49 |
|
[MG]B:105 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
4 |
2 |
10871 |
34.4 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.011 |
| 40 |
50 |
|
[MG]A:111 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
7 |
4 |
10849 |
33.9 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.007 |
| 41 |
51 |
|
[MG]A:109 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
10 |
6 |
10849 |
33.0 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.007 |
| 42 |
52 |
|
[CS]B:116 |
1 |
1 |
216 |
◊ |
C |
x-1,y,z |
1_455 |
3 |
2 |
5676 |
29.9 |
-6.0 |
0.000 |
0 |
0 |
0 |
0.000 |
| 43 |
53 |
|
[MG]A:109 |
1 |
1 |
98 |
f |
[K]A:102 |
x,y,z |
1_555 |
1 |
1 |
216 |
27.6 |
-14.6 |
0.000 |
0 |
0 |
0 |
0.024 |
| 44 |
54 |
|
B |
4 |
1 |
10871 |
◊ |
[K]A:104 |
x-1,y,z |
1_455 |
1 |
1 |
216 |
27.2 |
-13.5 |
0.000 |
0 |
0 |
0 |
0.013 |
| 45 |
55 |
|
[MG]B:105 |
1 |
1 |
98 |
◊ |
B |
x-1,y,z |
1_455 |
7 |
2 |
10871 |
26.3 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.000 |
| 46 |
56 |
|
[CS]A:113 |
1 |
1 |
216 |
f |
[MG]A:106 |
x,y,z |
1_555 |
1 |
1 |
98 |
25.5 |
-7.1 |
0.000 |
0 |
0 |
0 |
0.012 |
| 47 |
57 |
|
[CS]A:112 |
1 |
1 |
216 |
f |
[MG]A:108 |
x,y,z |
1_555 |
1 |
1 |
98 |
24.9 |
-7.1 |
0.000 |
0 |
0 |
0 |
0.012 |
| 48 |
58 |
|
[MG]A:109 |
1 |
1 |
98 |
f |
[K]A:103 |
x,y,z |
1_555 |
1 |
1 |
216 |
23.7 |
-13.1 |
0.000 |
0 |
0 |
0 |
0.022 |
| 49 |
59 |
|
[CS]B:115 |
1 |
1 |
216 |
f |
[MG]B:107 |
x,y,z |
1_555 |
1 |
1 |
98 |
21.8 |
-6.3 |
0.000 |
0 |
0 |
0 |
0.014 |
| 50 |
60 |
|
[NA]B:111 |
1 |
1 |
125 |
f |
[NA]B:110 |
x,y,z |
1_555 |
1 |
1 |
125 |
20.6 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.009 |
| 51 |
61 |
|
[NA]B:112 |
1 |
1 |
125 |
f |
[NA]B:109 |
x,y,z |
1_555 |
1 |
1 |
125 |
12.5 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.006 |
| 52 |
62 |
|
C |
3 |
1 |
5676 |
◊ |
[NA]B:110 |
-x+1,y-1/2,-z+2 |
2_647 |
1 |
1 |
125 |
12.5 |
-1.5 |
0.000 |
0 |
0 |
0 |
0.003 |
| 53 |
63 |
|
[CS]A:113 |
1 |
1 |
216 |
f |
[K]A:102 |
x,y,z |
1_555 |
1 |
1 |
216 |
11.8 |
-8.2 |
0.000 |
0 |
0 |
0 |
0.013 |
| 54 |
64 |
|
[CS]A:114 |
1 |
1 |
216 |
f |
[MG]A:111 |
x,y,z |
1_555 |
1 |
1 |
98 |
11.0 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.005 |
| 55 |
65 |
|
A |
2 |
2 |
10849 |
x |
A |
x-1,y,z |
1_455 |
3 |
2 |
10849 |
10.8 |
-1.1 |
0.415 |
0 |
0 |
0 |
0.000 |
| 56 |
66 |
|
D |
1 |
1 |
5850 |
◊ |
B |
x,y,z-1 |
1_554 |
4 |
2 |
10871 |
10.7 |
0.0 |
0.729 |
0 |
0 |
0 |
0.000 |
| 57 |
67 |
|
[K]A:105 |
1 |
1 |
216 |
◊ |
D |
x,y,z |
1_555 |
1 |
1 |
5850 |
8.3 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.006 |
| 58 |
68 |
|
[CS]A:114 |
1 |
1 |
216 |
f |
[MG]A:110 |
x,y,z |
1_555 |
1 |
1 |
98 |
8.1 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.004 |
| 59 |
69 |
|
[MG]C:101 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
2 |
2 |
10871 |
6.2 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.002 |
| 60 |
70 |
|
[CS]A:113 |
1 |
1 |
216 |
f |
[MG]A:109 |
x,y,z |
1_555 |
1 |
1 |
98 |
5.8 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.003 |
| 61 |
71 |
|
[K]A:104 |
1 |
1 |
216 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
5676 |
2.9 |
-1.5 |
0.000 |
0 |
0 |
0 |
0.000 |
| 62 |
72 |
|
[MG]A:110 |
1 |
1 |
98 |
f |
[K]A:105 |
x,y,z |
1_555 |
1 |
1 |
216 |
2.5 |
-1.5 |
0.000 |
0 |
0 |
0 |
0.002 |
| 63 |
73 |
|
[NA]B:112 |
1 |
1 |
125 |
◊ |
D |
x,y,z |
1_555 |
1 |
1 |
5850 |
0.4 |
-0.0 |
0.000 |
0 |
0 |
0 |
0.000 |
|