## |
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 |
|
B |
92 |
25 |
11603 |
◊ |
A |
x,y,z |
1_555 |
102 |
29 |
11961 |
953.1 |
-8.8 |
0.273 |
9 |
9 |
0 |
0.365 |
2 |
|
D |
91 |
26 |
11800 |
◊ |
C |
x,y,z |
1_555 |
103 |
29 |
11945 |
951.7 |
-8.7 |
0.294 |
9 |
10 |
0 |
0.365 |
3 |
|
F |
89 |
26 |
11509 |
◊ |
E |
x,y,z |
1_555 |
100 |
28 |
11664 |
951.6 |
-9.0 |
0.259 |
10 |
9 |
0 |
0.365 |
4 |
|
C |
91 |
25 |
11945 |
◊ |
B |
x,y,z |
1_555 |
102 |
27 |
11603 |
951.4 |
-10.3 |
0.194 |
10 |
9 |
0 |
0.365 |
5 |
|
E |
92 |
26 |
11664 |
◊ |
D |
x,y,z |
1_555 |
101 |
29 |
11800 |
945.7 |
-10.7 |
0.196 |
9 |
10 |
0 |
0.365 |
6 |
|
F |
97 |
29 |
11509 |
◊ |
A |
x,y,z |
1_555 |
88 |
25 |
11961 |
933.3 |
-10.6 |
0.168 |
10 |
10 |
0 |
0.365 |
Average: |
947.8 |
-9.7 |
0.231 |
10 |
10 |
0 |
0.365 |
2 |
7 |
|
D |
92 |
24 |
11800 |
◊ |
D |
-x+1,-y+1,z |
2_665 |
92 |
24 |
11800 |
853.4 |
-12.4 |
0.101 |
4 |
0 |
0 |
0.206 |
8 |
|
A |
96 |
24 |
11961 |
◊ |
A |
-x+1,-y+1,z |
2_665 |
95 |
24 |
11961 |
850.9 |
-11.5 |
0.131 |
4 |
0 |
0 |
0.206 |
9 |
|
E |
95 |
25 |
11664 |
◊ |
C |
-x+1,-y+1,z |
2_665 |
91 |
24 |
11945 |
839.6 |
-11.5 |
0.121 |
4 |
0 |
0 |
0.206 |
10 |
|
F |
94 |
24 |
11509 |
◊ |
B |
-x+1,-y+1,z |
2_665 |
94 |
25 |
11603 |
828.4 |
-11.4 |
0.107 |
4 |
0 |
0 |
0.206 |
Average: |
843.1 |
-11.7 |
0.115 |
4 |
0 |
0 |
0.206 |
3 |
11 |
|
E |
44 |
10 |
11664 |
◊ |
B |
-x+1,-y+1,z |
2_665 |
44 |
10 |
11603 |
394.7 |
-1.0 |
0.651 |
6 |
10 |
0 |
0.051 |
12 |
|
F |
42 |
10 |
11509 |
◊ |
A |
-x+1,-y+1,z |
2_665 |
44 |
10 |
11961 |
391.1 |
-1.3 |
0.625 |
7 |
10 |
0 |
0.051 |
13 |
|
D |
43 |
10 |
11800 |
◊ |
C |
-x+1,-y+1,z |
2_665 |
43 |
10 |
11945 |
388.5 |
-1.2 |
0.639 |
6 |
10 |
0 |
0.051 |
Average: |
391.5 |
-1.2 |
0.639 |
6 |
10 |
0 |
0.051 |
4 |
14 |
|
A |
30 |
9 |
11961 |
◊ |
F |
-x+1/2,y-1/2,-z+1 |
3_546 |
29 |
10 |
11509 |
234.7 |
-0.9 |
0.594 |
3 |
0 |
0 |
0.000 |
5 |
15 |
|
C |
28 |
8 |
11945 |
◊ |
D |
-x+1/2,y-1/2,-z |
3_545 |
25 |
8 |
11800 |
232.8 |
0.1 |
0.680 |
3 |
0 |
0 |
0.000 |
6 |
16 |
|
B |
14 |
6 |
11603 |
◊ |
E |
x,y-1,z |
1_545 |
16 |
6 |
11664 |
144.3 |
-2.1 |
0.266 |
0 |
1 |
0 |
0.000 |
7 |
17 |
|
[EDO]C:3019 |
4 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
17 |
9 |
11945 |
108.4 |
3.7 |
0.502 |
2 |
0 |
0 |
0.000 |
8 |
18 |
|
[CL]F:3031 |
1 |
1 |
125 |
f |
F |
x,y,z |
1_555 |
16 |
9 |
11509 |
78.6 |
-10.0 |
0.000 |
0 |
0 |
0 |
0.307 |
19 |
|
[CL]A:3002 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
16 |
9 |
11961 |
78.5 |
-9.8 |
0.000 |
0 |
0 |
0 |
0.307 |
20 |
|
[CL]D:3021 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
16 |
8 |
11800 |
77.9 |
-10.0 |
0.000 |
0 |
0 |
0 |
0.307 |
21 |
|
[CL]C:3014 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
16 |
8 |
11945 |
77.8 |
-9.9 |
0.000 |
0 |
0 |
0 |
0.307 |
22 |
|
[CL]B:3008 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
15 |
8 |
11603 |
77.7 |
-9.9 |
0.000 |
0 |
0 |
0 |
0.307 |
23 |
|
[CL]E:3026 |
1 |
1 |
125 |
f |
E |
x,y,z |
1_555 |
15 |
8 |
11664 |
77.2 |
-9.9 |
0.000 |
0 |
0 |
0 |
0.307 |
Average: |
77.9 |
-9.9 |
0.000 |
0 |
0 |
0 |
0.307 |
9 |
24 |
|
[EDO]D:3024 |
4 |
1 |
183 |
f |
D |
x,y,z |
1_555 |
16 |
7 |
11800 |
73.9 |
1.1 |
0.378 |
2 |
0 |
0 |
0.000 |
10 |
25 |
|
[EDO]C:3017 |
4 |
1 |
183 |
◊ |
C |
x,y,z |
1_555 |
10 |
5 |
11945 |
72.3 |
1.7 |
0.341 |
2 |
0 |
0 |
0.000 |
11 |
26 |
|
[EDO]A:3005 |
4 |
1 |
183 |
◊ |
A |
x,y,z |
1_555 |
17 |
7 |
11961 |
71.2 |
1.2 |
0.394 |
2 |
0 |
0 |
0.000 |
12 |
27 |
|
[EDO]B:3012 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
17 |
7 |
11603 |
69.6 |
1.0 |
0.374 |
2 |
0 |
0 |
0.000 |
13 |
28 |
|
[EDO]F:3034 |
4 |
1 |
186 |
f |
F |
x,y,z |
1_555 |
11 |
5 |
11509 |
69.5 |
1.3 |
0.200 |
1 |
0 |
0 |
0.000 |
14 |
29 |
|
[EDO]C:3018 |
4 |
1 |
182 |
◊ |
C |
x,y,z |
1_555 |
16 |
7 |
11945 |
69.1 |
1.1 |
0.376 |
1 |
0 |
0 |
0.000 |
15 |
30 |
|
[EDO]E:3029 |
4 |
1 |
181 |
◊ |
E |
x,y,z |
1_555 |
16 |
7 |
11664 |
68.0 |
0.9 |
0.216 |
1 |
0 |
0 |
0.000 |
16 |
31 |
|
[EDO]B:3011 |
4 |
1 |
185 |
◊ |
F |
-x+1,-y+1,z |
2_665 |
12 |
5 |
11509 |
67.9 |
1.8 |
0.825 |
3 |
0 |
0 |
0.000 |
17 |
32 |
|
[EDO]F:3035 |
4 |
1 |
183 |
f |
F |
x,y,z |
1_555 |
16 |
7 |
11509 |
66.0 |
1.1 |
0.226 |
3 |
0 |
0 |
0.004 |
18 |
33 |
|
[EDO]F:3034 |
4 |
1 |
186 |
◊ |
B |
-x+1,-y+1,z |
2_665 |
12 |
5 |
11603 |
65.1 |
1.5 |
0.210 |
1 |
0 |
0 |
0.000 |
19 |
34 |
|
[EDO]A:3006 |
4 |
1 |
184 |
◊ |
A |
-x+1,-y+1,z |
2_665 |
11 |
5 |
11961 |
65.0 |
1.8 |
0.817 |
2 |
0 |
0 |
0.000 |
20 |
35 |
|
[CL]B:3007 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
8 |
4 |
11603 |
61.7 |
-8.1 |
0.000 |
0 |
0 |
0 |
0.248 |
36 |
|
[CL]D:3020 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
8 |
4 |
11800 |
60.9 |
-7.9 |
0.000 |
0 |
0 |
0 |
0.248 |
37 |
|
[CL]E:3025 |
1 |
1 |
125 |
f |
E |
x,y,z |
1_555 |
9 |
4 |
11664 |
60.8 |
-8.1 |
0.000 |
0 |
0 |
0 |
0.248 |
38 |
|
[CL]C:3013 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
8 |
4 |
11945 |
60.3 |
-7.9 |
0.000 |
0 |
0 |
0 |
0.248 |
39 |
|
[CL]F:3030 |
1 |
1 |
125 |
f |
F |
x,y,z |
1_555 |
9 |
4 |
11509 |
60.0 |
-7.9 |
0.000 |
0 |
0 |
0 |
0.248 |
40 |
|
[CL]A:3001 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
9 |
4 |
11961 |
59.0 |
-7.9 |
0.000 |
0 |
0 |
0 |
0.248 |
Average: |
60.4 |
-8.0 |
0.000 |
0 |
0 |
0 |
0.248 |
21 |
41 |
|
[EDO]C:3017 |
4 |
1 |
183 |
◊ |
E |
-x+1,-y+1,z |
2_665 |
10 |
4 |
11664 |
59.3 |
1.1 |
0.218 |
0 |
0 |
0 |
0.000 |
22 |
42 |
|
[EDO]D:3024 |
4 |
1 |
183 |
◊ |
D |
-x+1,-y+1,z |
2_665 |
12 |
4 |
11800 |
57.0 |
1.0 |
0.220 |
1 |
0 |
0 |
0.000 |
23 |
43 |
|
[EDO]A:3005 |
4 |
1 |
183 |
◊ |
A |
-x+1,-y+1,z |
2_665 |
12 |
4 |
11961 |
54.0 |
1.1 |
0.216 |
1 |
0 |
0 |
0.000 |
24 |
44 |
|
[EDO]E:3029 |
4 |
1 |
181 |
◊ |
C |
-x+1,-y+1,z |
2_665 |
13 |
5 |
11945 |
54.0 |
1.1 |
0.225 |
0 |
0 |
0 |
0.000 |
25 |
45 |
|
[EDO]C:3018 |
4 |
1 |
182 |
◊ |
E |
-x+1,-y+1,z |
2_665 |
12 |
4 |
11664 |
52.9 |
1.0 |
0.221 |
0 |
0 |
0 |
0.000 |
26 |
46 |
|
[EDO]F:3035 |
4 |
1 |
183 |
◊ |
B |
-x+1,-y+1,z |
2_665 |
12 |
4 |
11603 |
52.5 |
1.2 |
0.219 |
0 |
0 |
0 |
0.000 |
27 |
47 |
|
[EDO]B:3012 |
4 |
1 |
184 |
◊ |
F |
-x+1,-y+1,z |
2_665 |
13 |
5 |
11509 |
51.5 |
1.0 |
0.219 |
1 |
0 |
0 |
0.000 |
28 |
48 |
|
[MG]C:3016 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
13 |
7 |
11945 |
46.6 |
-5.3 |
0.000 |
0 |
0 |
0 |
0.157 |
49 |
|
[MG]A:3004 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
14 |
7 |
11961 |
46.3 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.157 |
50 |
|
[MG]F:3033 |
1 |
1 |
98 |
f |
F |
x,y,z |
1_555 |
14 |
6 |
11509 |
46.2 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.157 |
51 |
|
[MG]D:3023 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
13 |
6 |
11800 |
45.8 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.157 |
52 |
|
[MG]E:3028 |
1 |
1 |
98 |
f |
E |
x,y,z |
1_555 |
14 |
7 |
11664 |
45.7 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.157 |
53 |
|
[MG]B:3010 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
15 |
7 |
11603 |
44.8 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.157 |
Average: |
45.9 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.157 |
29 |
54 |
|
[EDO]A:3006 |
3 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
5 |
1 |
11961 |
45.0 |
1.7 |
0.946 |
1 |
0 |
0 |
0.000 |
30 |
55 |
|
[EDO]B:3011 |
3 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
4 |
1 |
11603 |
41.9 |
1.3 |
0.933 |
1 |
0 |
0 |
0.000 |
31 |
56 |
|
[MG]A:3003 |
1 |
1 |
98 |
f |
F |
x,y,z |
1_555 |
5 |
5 |
11509 |
29.5 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.091 |
57 |
|
[MG]E:3032 |
1 |
1 |
98 |
f |
E |
x,y,z |
1_555 |
5 |
5 |
11664 |
29.5 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.091 |
58 |
|
[MG]C:3022 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
5 |
5 |
11945 |
29.3 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.091 |
59 |
|
[MG]A:3009 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
5 |
5 |
11961 |
29.0 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.091 |
60 |
|
[MG]D:3027 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
5 |
5 |
11800 |
28.5 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.091 |
61 |
|
[MG]C:3015 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
5 |
5 |
11603 |
27.7 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.091 |
Average: |
28.9 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.091 |
32 |
62 |
|
[CL]A:3001 |
1 |
1 |
125 |
◊ |
A |
-x+1,-y+1,z |
2_665 |
2 |
1 |
11961 |
25.0 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.090 |
63 |
|
[CL]F:3030 |
1 |
1 |
125 |
◊ |
B |
-x+1,-y+1,z |
2_665 |
3 |
2 |
11603 |
24.7 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.090 |
64 |
|
[CL]C:3013 |
1 |
1 |
125 |
◊ |
E |
-x+1,-y+1,z |
2_665 |
2 |
1 |
11664 |
24.4 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.090 |
65 |
|
[CL]E:3025 |
1 |
1 |
125 |
◊ |
C |
-x+1,-y+1,z |
2_665 |
3 |
2 |
11945 |
24.4 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.090 |
66 |
|
[CL]B:3007 |
1 |
1 |
125 |
◊ |
F |
-x+1,-y+1,z |
2_665 |
2 |
1 |
11509 |
23.6 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.090 |
67 |
|
[CL]D:3020 |
1 |
1 |
125 |
◊ |
D |
-x+1,-y+1,z |
2_665 |
2 |
1 |
11800 |
23.0 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.090 |
Average: |
24.2 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.090 |
33 |
68 |
|
[EDO]F:3035 |
3 |
1 |
183 |
◊ |
[EDO]B:3012 |
-x+1,-y+1,z |
2_665 |
3 |
1 |
184 |
23.9 |
1.0 |
1.000 |
1 |
0 |
0 |
0.000 |
34 |
69 |
|
[EDO]E:3029 |
3 |
1 |
181 |
f |
[EDO]C:3018 |
-x+1,-y+1,z |
2_665 |
4 |
1 |
182 |
22.8 |
1.3 |
1.000 |
0 |
0 |
0 |
0.000 |
35 |
70 |
|
[EDO]D:3024 |
3 |
1 |
183 |
◊ |
[EDO]D:3024 |
-x+1,-y+1,z |
2_665 |
3 |
1 |
183 |
21.4 |
1.1 |
1.000 |
0 |
0 |
0 |
0.000 |
36 |
71 |
|
[EDO]A:3005 |
4 |
1 |
183 |
f |
[EDO]A:3005 |
-x+1,-y+1,z |
2_665 |
4 |
1 |
183 |
21.0 |
0.7 |
1.000 |
1 |
0 |
0 |
0.000 |
37 |
72 |
|
[EDO]A:3006 |
2 |
1 |
184 |
f |
[EDO]A:3006 |
-x+1,-y+1,z |
2_665 |
2 |
1 |
184 |
19.3 |
1.0 |
1.000 |
0 |
0 |
0 |
0.000 |
38 |
73 |
|
[MG]A:3003 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
11961 |
17.1 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.036 |
74 |
|
[MG]C:3022 |
1 |
1 |
98 |
◊ |
D |
x,y,z |
1_555 |
3 |
1 |
11800 |
16.9 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.036 |
75 |
|
[MG]E:3032 |
1 |
1 |
98 |
◊ |
F |
x,y,z |
1_555 |
3 |
1 |
11509 |
16.7 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.036 |
76 |
|
[MG]A:3009 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
11603 |
16.7 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.036 |
77 |
|
[MG]C:3015 |
1 |
1 |
98 |
◊ |
C |
x,y,z |
1_555 |
3 |
1 |
11945 |
15.2 |
-1.4 |
0.000 |
0 |
0 |
0 |
0.036 |
78 |
|
[MG]D:3027 |
1 |
1 |
98 |
◊ |
E |
x,y,z |
1_555 |
3 |
1 |
11664 |
14.8 |
-1.4 |
0.000 |
0 |
0 |
0 |
0.036 |
Average: |
16.2 |
-1.5 |
0.000 |
0 |
0 |
0 |
0.036 |
39 |
79 |
|
[EDO]F:3035 |
1 |
1 |
183 |
f |
[EDO]F:3034 |
x,y,z |
1_555 |
1 |
1 |
186 |
9.1 |
0.4 |
1.000 |
0 |
0 |
0 |
0.000 |
40 |
80 |
|
[EDO]E:3029 |
2 |
1 |
181 |
f |
[EDO]C:3017 |
-x+1,-y+1,z |
2_665 |
1 |
1 |
183 |
7.6 |
0.4 |
1.000 |
0 |
0 |
0 |
0.000 |
41 |
81 |
|
[EDO]C:3018 |
1 |
1 |
182 |
f |
[EDO]C:3017 |
x,y,z |
1_555 |
2 |
1 |
183 |
7.1 |
0.2 |
1.000 |
0 |
0 |
0 |
0.000 |
42 |
82 |
|
[EDO]F:3034 |
2 |
1 |
186 |
◊ |
[EDO]B:3012 |
-x+1,-y+1,z |
2_665 |
1 |
1 |
184 |
6.1 |
0.3 |
1.000 |
0 |
0 |
0 |
0.000 |
43 |
83 |
|
[EDO]B:3012 |
1 |
1 |
184 |
f |
[EDO]B:3011 |
x,y,z |
1_555 |
2 |
1 |
185 |
5.9 |
0.1 |
1.000 |
0 |
0 |
0 |
0.000 |
44 |
84 |
|
[EDO]A:3006 |
2 |
1 |
184 |
f |
[EDO]A:3005 |
x,y,z |
1_555 |
1 |
1 |
183 |
3.9 |
0.2 |
1.000 |
0 |
0 |
0 |
0.000 |
|