| ## |
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 |
111 |
26 |
12118 |
◊ |
A |
x,y,z |
1_555 |
123 |
36 |
12216 |
1053.0 |
-15.2 |
0.217 |
4 |
0 |
0 |
0.703 |
2 |
|
O |
104 |
28 |
12226 |
◊ |
N |
x,y,z |
1_555 |
124 |
37 |
12244 |
1051.6 |
-14.4 |
0.251 |
5 |
0 |
0 |
0.703 |
3 |
|
O |
119 |
36 |
12226 |
◊ |
M |
x,y,z |
1_555 |
104 |
27 |
12137 |
1051.3 |
-13.2 |
0.287 |
6 |
0 |
0 |
0.703 |
4 |
|
K |
120 |
38 |
12305 |
◊ |
J |
x,y,z |
1_555 |
101 |
29 |
12195 |
1049.1 |
-14.5 |
0.234 |
6 |
0 |
0 |
0.703 |
5 |
|
F |
122 |
35 |
12219 |
◊ |
E |
x,y,z |
1_555 |
101 |
28 |
12211 |
1049.0 |
-14.7 |
0.197 |
5 |
0 |
0 |
0.703 |
6 |
|
I |
126 |
37 |
12208 |
◊ |
G |
x,y,z |
1_555 |
104 |
27 |
12220 |
1048.5 |
-14.1 |
0.272 |
4 |
0 |
0 |
0.703 |
7 |
|
P |
107 |
27 |
12244 |
◊ |
E |
x,y,z |
1_555 |
120 |
35 |
12211 |
1047.6 |
-14.1 |
0.300 |
5 |
0 |
0 |
0.703 |
8 |
|
L |
125 |
37 |
12165 |
◊ |
F |
x,y,z |
1_555 |
107 |
27 |
12219 |
1043.6 |
-14.2 |
0.269 |
5 |
0 |
0 |
0.703 |
9 |
|
C |
122 |
36 |
12132 |
◊ |
B |
x,y,z |
1_555 |
102 |
26 |
12213 |
1043.5 |
-14.2 |
0.216 |
5 |
0 |
0 |
0.703 |
10 |
|
P |
123 |
36 |
12244 |
◊ |
L |
x,y,z |
1_555 |
101 |
26 |
12165 |
1036.4 |
-13.2 |
0.360 |
6 |
0 |
0 |
0.703 |
11 |
|
G |
123 |
34 |
12220 |
◊ |
C |
x,y,z |
1_555 |
100 |
26 |
12132 |
1035.3 |
-14.0 |
0.232 |
5 |
0 |
0 |
0.703 |
12 |
|
K |
102 |
27 |
12305 |
◊ |
D |
x,y,z |
1_555 |
121 |
37 |
12118 |
1033.1 |
-14.8 |
0.211 |
5 |
0 |
0 |
0.703 |
13 |
|
M |
123 |
35 |
12137 |
◊ |
H |
x,y,z |
1_555 |
103 |
27 |
12113 |
1025.3 |
-15.0 |
0.194 |
5 |
0 |
0 |
0.703 |
14 |
|
I |
100 |
27 |
12208 |
◊ |
B |
x,y,z |
1_555 |
123 |
36 |
12213 |
1024.5 |
-14.1 |
0.245 |
5 |
0 |
0 |
0.703 |
15 |
|
N |
100 |
26 |
12244 |
◊ |
H |
x,y,z |
1_555 |
117 |
33 |
12113 |
1023.3 |
-14.8 |
0.183 |
6 |
0 |
0 |
0.703 |
16 |
|
J |
116 |
34 |
12195 |
◊ |
A |
x,y,z |
1_555 |
105 |
29 |
12216 |
1013.8 |
-14.9 |
0.207 |
4 |
0 |
0 |
0.703 |
| Average: |
1039.3 |
-14.3 |
0.242 |
5 |
0 |
0 |
0.703 |
| 2 |
17 |
|
J |
86 |
21 |
12195 |
◊ |
B |
x,y,z |
1_555 |
91 |
23 |
12213 |
792.9 |
-12.6 |
0.174 |
3 |
4 |
0 |
0.529 |
18 |
|
H |
86 |
22 |
12113 |
◊ |
F |
x,y,z |
1_555 |
81 |
22 |
12219 |
790.0 |
-12.1 |
0.154 |
5 |
3 |
0 |
0.529 |
19 |
|
G |
86 |
21 |
12220 |
◊ |
D |
x,y,z |
1_555 |
80 |
21 |
12118 |
786.7 |
-11.3 |
0.199 |
7 |
3 |
0 |
0.529 |
20 |
|
P |
80 |
23 |
12244 |
◊ |
O |
x,y,z |
1_555 |
82 |
22 |
12226 |
784.5 |
-10.9 |
0.245 |
6 |
4 |
0 |
0.529 |
21 |
|
K |
86 |
21 |
12305 |
◊ |
I |
x,y,z |
1_555 |
81 |
22 |
12208 |
779.3 |
-12.4 |
0.161 |
5 |
2 |
0 |
0.529 |
22 |
|
M |
82 |
22 |
12137 |
◊ |
E |
x,y,z |
1_555 |
83 |
21 |
12211 |
778.3 |
-12.3 |
0.150 |
7 |
3 |
0 |
0.529 |
23 |
|
C |
86 |
20 |
12132 |
◊ |
A |
x,y,z |
1_555 |
88 |
22 |
12216 |
777.0 |
-12.9 |
0.139 |
4 |
4 |
0 |
0.529 |
24 |
|
N |
79 |
21 |
12244 |
◊ |
L |
x,y,z |
1_555 |
84 |
22 |
12165 |
775.7 |
-12.7 |
0.136 |
5 |
2 |
0 |
0.529 |
| Average: |
783.0 |
-12.1 |
0.170 |
5 |
3 |
0 |
0.529 |
| 3 |
25 |
|
N |
48 |
16 |
12244 |
◊ |
F |
x,y,z |
1_555 |
54 |
16 |
12219 |
472.5 |
-10.6 |
0.046 |
2 |
0 |
0 |
0.147 |
26 |
|
P |
50 |
16 |
12244 |
◊ |
M |
x,y,z |
1_555 |
47 |
16 |
12137 |
459.6 |
-9.3 |
0.088 |
2 |
0 |
0 |
0.147 |
27 |
|
B |
48 |
16 |
12213 |
◊ |
A |
x,y,z |
1_555 |
47 |
16 |
12216 |
455.7 |
-9.7 |
0.055 |
2 |
0 |
0 |
0.147 |
28 |
|
J |
49 |
15 |
12195 |
◊ |
I |
x,y,z |
1_555 |
53 |
17 |
12208 |
453.5 |
-9.9 |
0.070 |
2 |
0 |
0 |
0.147 |
29 |
|
K |
48 |
15 |
12305 |
◊ |
G |
x,y,z |
1_555 |
46 |
16 |
12220 |
452.1 |
-9.5 |
0.057 |
2 |
0 |
0 |
0.147 |
30 |
|
D |
48 |
16 |
12118 |
◊ |
C |
x,y,z |
1_555 |
48 |
16 |
12132 |
448.1 |
-9.8 |
0.051 |
2 |
0 |
0 |
0.147 |
31 |
|
H |
48 |
16 |
12113 |
◊ |
E |
x,y,z |
1_555 |
49 |
16 |
12211 |
445.9 |
-9.8 |
0.056 |
2 |
0 |
0 |
0.147 |
32 |
|
O |
47 |
16 |
12226 |
◊ |
L |
x,y,z |
1_555 |
46 |
16 |
12165 |
432.0 |
-10.0 |
0.049 |
2 |
0 |
0 |
0.147 |
| Average: |
452.4 |
-9.8 |
0.059 |
2 |
0 |
0 |
0.147 |
| 4 |
33 |
|
H |
36 |
11 |
12113 |
◊ |
C |
x,y,z |
1_555 |
34 |
10 |
12132 |
301.4 |
-3.6 |
0.446 |
6 |
0 |
0 |
0.000 |
| 5 |
34 |
|
A |
23 |
6 |
12216 |
◊ |
F |
x-1,y,z |
1_455 |
24 |
6 |
12219 |
283.5 |
-3.1 |
0.360 |
0 |
1 |
0 |
0.000 |
| 6 |
35 |
|
E |
30 |
7 |
12211 |
◊ |
D |
x,y,z |
1_555 |
25 |
6 |
12118 |
256.3 |
-2.6 |
0.512 |
1 |
3 |
0 |
0.000 |
| 7 |
36 |
|
B |
27 |
7 |
12213 |
◊ |
A |
-x+1,y-1/2,-z |
2_645 |
26 |
8 |
12216 |
236.9 |
-2.1 |
0.495 |
5 |
0 |
0 |
0.000 |
| 8 |
37 |
|
A |
26 |
11 |
12216 |
◊ |
E |
x-1,y,z |
1_455 |
20 |
7 |
12211 |
234.4 |
-2.5 |
0.468 |
3 |
0 |
0 |
0.000 |
38 |
|
D |
20 |
6 |
12118 |
◊ |
F |
x-1,y,z |
1_455 |
23 |
8 |
12219 |
199.3 |
-1.6 |
0.452 |
0 |
2 |
0 |
0.000 |
| Average: |
216.8 |
-2.0 |
0.460 |
2 |
1 |
0 |
0.000 |
| 9 |
39 |
|
N |
18 |
9 |
12244 |
◊ |
L |
-x+3,y-1/2,-z+1 |
2_846 |
20 |
6 |
12165 |
185.7 |
-0.5 |
0.659 |
1 |
0 |
0 |
0.000 |
| 10 |
40 |
|
H |
25 |
12 |
12113 |
◊ |
L |
-x+3,y-1/2,-z+1 |
2_846 |
22 |
7 |
12165 |
181.0 |
-1.1 |
0.653 |
2 |
0 |
0 |
0.000 |
| 11 |
41 |
|
M |
22 |
6 |
12137 |
◊ |
P |
-x+2,y-1/2,-z+1 |
2_746 |
17 |
5 |
12244 |
153.2 |
-0.8 |
0.648 |
0 |
0 |
0 |
0.000 |
| 12 |
42 |
|
A |
15 |
6 |
12216 |
◊ |
G |
x-1,y,z |
1_455 |
18 |
4 |
12220 |
147.2 |
1.5 |
0.831 |
0 |
2 |
0 |
0.000 |
43 |
|
M |
16 |
5 |
12137 |
◊ |
F |
x-1,y,z |
1_455 |
17 |
7 |
12219 |
138.5 |
1.2 |
0.834 |
0 |
1 |
0 |
0.000 |
| Average: |
142.8 |
1.4 |
0.833 |
0 |
2 |
0 |
0.000 |
| 13 |
44 |
|
I |
14 |
3 |
12208 |
◊ |
O |
x,y,z-1 |
1_554 |
14 |
4 |
12226 |
118.3 |
-0.5 |
0.669 |
2 |
0 |
0 |
0.000 |
| 14 |
45 |
|
I |
14 |
5 |
12208 |
◊ |
E |
-x+2,y-1/2,-z |
2_745 |
12 |
5 |
12211 |
101.9 |
-1.2 |
0.491 |
0 |
0 |
0 |
0.000 |
| 15 |
46 |
|
N |
12 |
5 |
12244 |
◊ |
P |
-x+3,y-1/2,-z+1 |
2_846 |
10 |
3 |
12244 |
93.2 |
1.2 |
0.888 |
2 |
1 |
0 |
0.000 |
| 16 |
47 |
|
C |
7 |
2 |
12132 |
◊ |
K |
-x+2,y-1/2,-z |
2_745 |
8 |
2 |
12305 |
69.9 |
-1.0 |
0.396 |
0 |
0 |
0 |
0.000 |
| 17 |
48 |
|
[MN]O:301 |
1 |
1 |
123 |
f |
O |
x,y,z |
1_555 |
11 |
7 |
12226 |
68.8 |
-7.8 |
0.000 |
0 |
0 |
0 |
0.517 |
49 |
|
[MN]L:301 |
1 |
1 |
123 |
f |
L |
x,y,z |
1_555 |
12 |
6 |
12165 |
68.0 |
-7.3 |
0.000 |
0 |
0 |
0 |
0.517 |
50 |
|
[MN]E:301 |
1 |
1 |
123 |
f |
E |
x,y,z |
1_555 |
12 |
6 |
12211 |
67.1 |
-7.4 |
0.000 |
0 |
0 |
0 |
0.517 |
51 |
|
[MN]H:301 |
1 |
1 |
123 |
f |
H |
x,y,z |
1_555 |
12 |
6 |
12113 |
66.9 |
-6.3 |
0.000 |
0 |
0 |
0 |
0.517 |
52 |
|
[MN]N:301 |
1 |
1 |
123 |
f |
N |
x,y,z |
1_555 |
11 |
7 |
12244 |
66.9 |
-7.5 |
0.000 |
0 |
0 |
0 |
0.517 |
53 |
|
[MN]J:301 |
1 |
1 |
123 |
f |
J |
x,y,z |
1_555 |
12 |
6 |
12195 |
66.4 |
-7.5 |
0.000 |
0 |
0 |
0 |
0.517 |
54 |
|
[MN]D:301 |
1 |
1 |
123 |
f |
D |
x,y,z |
1_555 |
10 |
6 |
12118 |
66.3 |
-7.1 |
0.000 |
0 |
0 |
0 |
0.517 |
55 |
|
[MN]M:301 |
1 |
1 |
123 |
f |
M |
x,y,z |
1_555 |
9 |
6 |
12137 |
66.1 |
-6.8 |
0.000 |
0 |
0 |
0 |
0.517 |
56 |
|
[MN]G:301 |
1 |
1 |
123 |
f |
G |
x,y,z |
1_555 |
10 |
6 |
12220 |
66.1 |
-7.4 |
0.000 |
0 |
0 |
0 |
0.517 |
57 |
|
[MN]A:301 |
1 |
1 |
123 |
f |
A |
x,y,z |
1_555 |
10 |
6 |
12216 |
66.1 |
-7.6 |
0.000 |
0 |
0 |
0 |
0.517 |
58 |
|
[MN]F:301 |
1 |
1 |
123 |
f |
F |
x,y,z |
1_555 |
10 |
6 |
12219 |
65.8 |
-7.5 |
0.000 |
0 |
0 |
0 |
0.517 |
59 |
|
[MN]P:301 |
1 |
1 |
123 |
f |
P |
x,y,z |
1_555 |
11 |
6 |
12244 |
65.4 |
-7.4 |
0.000 |
0 |
0 |
0 |
0.517 |
60 |
|
[MN]I:301 |
1 |
1 |
123 |
f |
I |
x,y,z |
1_555 |
9 |
6 |
12208 |
65.2 |
-6.6 |
0.000 |
0 |
0 |
0 |
0.517 |
61 |
|
[MN]C:301 |
1 |
1 |
123 |
f |
C |
x,y,z |
1_555 |
12 |
8 |
12132 |
65.2 |
-6.1 |
0.000 |
0 |
0 |
0 |
0.517 |
62 |
|
[MN]K:301 |
1 |
1 |
123 |
f |
K |
x,y,z |
1_555 |
9 |
5 |
12305 |
64.1 |
-6.9 |
0.000 |
0 |
0 |
0 |
0.517 |
63 |
|
[MN]B:301 |
1 |
1 |
123 |
f |
B |
x,y,z |
1_555 |
11 |
6 |
12213 |
64.1 |
-7.1 |
0.000 |
0 |
0 |
0 |
0.517 |
| Average: |
66.2 |
-7.1 |
0.000 |
0 |
0 |
0 |
0.517 |
| 18 |
64 |
|
G |
8 |
3 |
12220 |
◊ |
K |
-x+2,y-1/2,-z |
2_745 |
11 |
4 |
12305 |
68.0 |
0.1 |
0.732 |
2 |
0 |
0 |
0.000 |
| 19 |
65 |
|
I |
6 |
3 |
12208 |
◊ |
D |
-x+2,y-1/2,-z |
2_745 |
3 |
2 |
12118 |
34.6 |
-0.5 |
0.360 |
0 |
0 |
0 |
0.000 |
| 20 |
66 |
|
J |
4 |
2 |
12195 |
◊ |
L |
x-1,y,z-1 |
1_454 |
3 |
3 |
12165 |
12.3 |
0.3 |
0.789 |
0 |
0 |
0 |
0.000 |
| 21 |
67 |
|
H |
1 |
1 |
12113 |
◊ |
G |
x,y,z |
1_555 |
2 |
1 |
12220 |
5.1 |
-0.0 |
0.631 |
0 |
0 |
0 |
0.000 |
| 22 |
68 |
|
J |
1 |
1 |
12195 |
◊ |
O |
x-1,y,z-1 |
1_454 |
1 |
1 |
12226 |
2.3 |
-0.1 |
0.420 |
0 |
0 |
0 |
0.000 |
| 23 |
69 |
|
[MN]P:301 |
1 |
1 |
123 |
◊ |
E |
x,y,z |
1_555 |
1 |
1 |
12211 |
0.8 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.000 |
70 |
|
[MN]G:301 |
1 |
1 |
123 |
◊ |
I |
x,y,z |
1_555 |
1 |
1 |
12208 |
0.7 |
-0.0 |
0.000 |
0 |
0 |
0 |
0.000 |
71 |
|
[MN]O:301 |
1 |
1 |
123 |
◊ |
N |
x,y,z |
1_555 |
1 |
1 |
12244 |
0.4 |
-0.0 |
0.000 |
0 |
0 |
0 |
0.000 |
72 |
|
[MN]F:301 |
1 |
1 |
123 |
◊ |
L |
x,y,z |
1_555 |
1 |
1 |
12165 |
0.3 |
-0.0 |
0.000 |
0 |
0 |
0 |
0.000 |
| Average: |
0.6 |
-0.0 |
0.000 |
0 |
0 |
0 |
0.001 |
| 24 |
73 |
|
B |
1 |
1 |
12213 |
◊ |
D |
-x+1,y-1/2,-z |
2_645 |
1 |
1 |
12118 |
0.2 |
-0.0 |
0.614 |
0 |
0 |
0 |
0.000 |
|