## |
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 |
|
H |
127 |
39 |
13918 |
◊ |
G |
x,y,z |
1_555 |
105 |
25 |
9106 |
1111.1 |
-12.8 |
0.192 |
17 |
2 |
0 |
0.559 |
2 |
|
B |
128 |
37 |
13971 |
◊ |
C |
x,y,z |
1_555 |
109 |
25 |
9233 |
1108.9 |
-11.9 |
0.258 |
17 |
3 |
0 |
0.559 |
3 |
|
D |
129 |
40 |
13972 |
◊ |
A |
x,y,z |
1_555 |
104 |
26 |
9146 |
1107.1 |
-12.3 |
0.249 |
18 |
2 |
0 |
0.559 |
4 |
|
F |
122 |
38 |
14199 |
◊ |
E |
x,y,z |
1_555 |
106 |
25 |
9189 |
1098.3 |
-12.4 |
0.221 |
16 |
2 |
0 |
0.559 |
Average: |
1106.4 |
-12.4 |
0.230 |
17 |
2 |
0 |
0.559 |
2 |
5 |
|
D |
69 |
16 |
13972 |
◊ |
B |
-y,x-y-1,z+1/3 |
2_545 |
64 |
15 |
13971 |
640.3 |
-11.0 |
0.238 |
3 |
2 |
0 |
0.140 |
6 |
|
H |
66 |
15 |
13918 |
◊ |
F |
-y-1,x-y-2,z+1/3 |
2_435 |
68 |
15 |
14199 |
637.0 |
-11.1 |
0.257 |
2 |
2 |
0 |
0.140 |
Average: |
638.6 |
-11.1 |
0.247 |
3 |
2 |
0 |
0.140 |
3 |
7 |
|
C |
48 |
13 |
9233 |
◊ |
F |
-y,x-y-1,z+1/3 |
2_545 |
72 |
21 |
14199 |
519.3 |
-7.0 |
0.199 |
3 |
0 |
0 |
0.000 |
8 |
|
E |
41 |
10 |
9189 |
◊ |
B |
-y-1,x-y-2,z+1/3 |
2_435 |
68 |
19 |
13971 |
486.0 |
-5.1 |
0.237 |
3 |
0 |
0 |
0.000 |
9 |
|
H |
64 |
19 |
13918 |
◊ |
A |
-y,x-y-1,z+1/3 |
2_545 |
34 |
9 |
9146 |
453.4 |
-5.8 |
0.175 |
3 |
0 |
0 |
0.000 |
10 |
|
D |
65 |
18 |
13972 |
◊ |
G |
-y-1,x-y-2,z+1/3 |
2_435 |
36 |
9 |
9106 |
451.3 |
-5.6 |
0.192 |
3 |
0 |
0 |
0.000 |
Average: |
477.5 |
-5.9 |
0.201 |
3 |
0 |
0 |
0.000 |
4 |
11 |
|
D |
44 |
19 |
13972 |
◊ |
B |
x,y,z |
1_555 |
48 |
18 |
13971 |
397.8 |
4.2 |
0.987 |
8 |
1 |
0 |
0.000 |
12 |
|
H |
42 |
19 |
13918 |
◊ |
F |
x,y,z |
1_555 |
41 |
19 |
14199 |
362.7 |
3.0 |
0.979 |
7 |
0 |
0 |
0.000 |
Average: |
380.2 |
3.6 |
0.983 |
8 |
1 |
0 |
0.000 |
5 |
13 |
|
D |
41 |
11 |
13972 |
◊ |
F |
-y-1,x-y-1,z+1/3 |
2_445 |
40 |
11 |
14199 |
370.6 |
-7.6 |
0.214 |
0 |
0 |
0 |
0.066 |
14 |
|
H |
32 |
11 |
13918 |
◊ |
B |
-y,x-y-2,z+1/3 |
2_535 |
36 |
12 |
13971 |
309.7 |
-5.9 |
0.273 |
1 |
0 |
0 |
0.066 |
Average: |
340.1 |
-6.7 |
0.244 |
1 |
0 |
0 |
0.066 |
6 |
15 |
|
[GDP]E:202 |
28 |
1 |
560 |
f |
E |
x,y,z |
1_555 |
60 |
24 |
9189 |
346.4 |
-7.9 |
0.525 |
17 |
0 |
0 |
0.387 |
16 |
|
[GDP]A:202 |
28 |
1 |
565 |
f |
A |
x,y,z |
1_555 |
58 |
24 |
9146 |
327.6 |
-6.7 |
0.544 |
18 |
0 |
0 |
0.387 |
17 |
|
[GDP]C:202 |
28 |
1 |
560 |
f |
C |
x,y,z |
1_555 |
58 |
24 |
9233 |
327.0 |
-6.7 |
0.502 |
16 |
0 |
0 |
0.387 |
18 |
|
[GDP]G:202 |
28 |
1 |
563 |
f |
G |
x,y,z |
1_555 |
60 |
24 |
9106 |
326.4 |
-7.8 |
0.510 |
16 |
0 |
0 |
0.387 |
Average: |
331.8 |
-7.3 |
0.520 |
17 |
0 |
0 |
0.387 |
7 |
19 |
|
[PEG]C:206 |
7 |
1 |
255 |
f |
C |
x,y,z |
1_555 |
25 |
10 |
9233 |
152.2 |
2.9 |
0.357 |
1 |
0 |
0 |
0.000 |
8 |
20 |
|
[PEG]C:204 |
7 |
1 |
250 |
◊ |
C |
x,y,z |
1_555 |
20 |
8 |
9233 |
133.8 |
3.5 |
0.441 |
1 |
0 |
0 |
0.000 |
9 |
21 |
|
[PEG]A:204 |
7 |
1 |
252 |
◊ |
A |
x,y,z |
1_555 |
16 |
6 |
9146 |
129.7 |
3.4 |
0.402 |
1 |
0 |
0 |
0.000 |
10 |
22 |
|
[PEG]G:204 |
7 |
1 |
254 |
◊ |
G |
x,y,z |
1_555 |
18 |
9 |
9106 |
123.3 |
2.8 |
0.357 |
0 |
0 |
0 |
0.000 |
11 |
23 |
|
[PEG]D:701 |
7 |
1 |
255 |
f |
D |
x,y,z |
1_555 |
20 |
7 |
13972 |
119.3 |
3.3 |
0.430 |
0 |
0 |
0 |
0.000 |
12 |
24 |
|
[PEG]C:205 |
7 |
1 |
245 |
f |
C |
x,y,z |
1_555 |
16 |
7 |
9233 |
113.0 |
2.7 |
0.314 |
0 |
0 |
0 |
0.000 |
13 |
25 |
|
[BEF]G:203 |
4 |
1 |
181 |
f |
G |
x,y,z |
1_555 |
21 |
11 |
9106 |
79.0 |
2.0 |
0.647 |
10 |
0 |
0 |
0.053 |
14 |
26 |
|
[BEF]E:203 |
4 |
1 |
181 |
f |
E |
x,y,z |
1_555 |
21 |
11 |
9189 |
78.2 |
1.9 |
0.650 |
7 |
0 |
0 |
0.025 |
15 |
27 |
|
[BEF]A:203 |
4 |
1 |
180 |
f |
A |
x,y,z |
1_555 |
20 |
11 |
9146 |
77.9 |
2.0 |
0.652 |
8 |
0 |
0 |
0.038 |
16 |
28 |
|
[BEF]C:203 |
4 |
1 |
180 |
f |
C |
x,y,z |
1_555 |
22 |
11 |
9233 |
77.7 |
2.0 |
0.641 |
8 |
0 |
0 |
0.044 |
17 |
29 |
|
[GDP]A:202 |
11 |
1 |
565 |
◊ |
D |
x,y,z |
1_555 |
8 |
2 |
13972 |
68.8 |
0.2 |
0.836 |
2 |
0 |
0 |
0.030 |
30 |
|
[GDP]E:202 |
12 |
1 |
560 |
◊ |
F |
x,y,z |
1_555 |
6 |
2 |
14199 |
66.8 |
-0.3 |
0.843 |
1 |
0 |
0 |
0.030 |
31 |
|
[GDP]C:202 |
11 |
1 |
560 |
◊ |
B |
x,y,z |
1_555 |
7 |
2 |
13971 |
66.1 |
0.3 |
0.852 |
3 |
0 |
0 |
0.030 |
32 |
|
[GDP]G:202 |
12 |
1 |
563 |
◊ |
H |
x,y,z |
1_555 |
6 |
2 |
13918 |
63.1 |
-0.3 |
0.844 |
1 |
0 |
0 |
0.030 |
Average: |
66.2 |
-0.0 |
0.844 |
2 |
0 |
0 |
0.030 |
18 |
33 |
|
[PEG]C:205 |
6 |
1 |
245 |
◊ |
B |
x,y,z |
1_555 |
7 |
4 |
13971 |
66.9 |
2.6 |
0.366 |
0 |
0 |
0 |
0.000 |
19 |
34 |
|
[PEG]G:204 |
6 |
1 |
254 |
◊ |
[GDP]G:202 |
x,y,z |
1_555 |
7 |
1 |
563 |
62.3 |
2.3 |
0.354 |
2 |
0 |
0 |
0.000 |
20 |
35 |
|
[PEG]C:204 |
6 |
1 |
250 |
◊ |
[GDP]C:202 |
x,y,z |
1_555 |
8 |
1 |
560 |
62.1 |
1.3 |
0.338 |
0 |
0 |
0 |
0.000 |
21 |
36 |
|
[PEG]A:204 |
6 |
1 |
252 |
◊ |
[GDP]A:202 |
x,y,z |
1_555 |
7 |
1 |
565 |
61.8 |
1.4 |
0.305 |
0 |
0 |
0 |
0.000 |
22 |
37 |
|
[BEF]E:203 |
3 |
1 |
181 |
f |
[GDP]E:202 |
x,y,z |
1_555 |
7 |
1 |
560 |
40.7 |
-2.1 |
0.074 |
0 |
0 |
0 |
0.042 |
23 |
38 |
|
[BEF]G:203 |
4 |
1 |
181 |
f |
[GDP]G:202 |
x,y,z |
1_555 |
5 |
1 |
563 |
38.2 |
-1.8 |
0.298 |
0 |
0 |
0 |
0.039 |
24 |
39 |
|
[BEF]A:203 |
4 |
1 |
180 |
f |
[GDP]A:202 |
x,y,z |
1_555 |
7 |
1 |
565 |
36.5 |
-1.9 |
0.334 |
0 |
0 |
0 |
0.045 |
25 |
40 |
|
[BEF]C:203 |
4 |
1 |
180 |
f |
[GDP]C:202 |
x,y,z |
1_555 |
5 |
1 |
560 |
36.3 |
-1.8 |
0.290 |
0 |
0 |
0 |
0.050 |
26 |
41 |
|
H |
2 |
2 |
13918 |
◊ |
E |
x,y,z |
1_555 |
7 |
4 |
9189 |
35.1 |
-0.5 |
0.287 |
0 |
0 |
0 |
0.000 |
42 |
|
D |
2 |
2 |
13972 |
◊ |
C |
x,y,z |
1_555 |
5 |
4 |
9233 |
32.0 |
-0.8 |
0.247 |
0 |
0 |
0 |
0.000 |
43 |
|
B |
1 |
1 |
13971 |
◊ |
A |
x,y,z |
1_555 |
5 |
4 |
9146 |
30.1 |
-0.7 |
0.183 |
0 |
0 |
0 |
0.000 |
44 |
|
F |
2 |
2 |
14199 |
◊ |
G |
x,y,z |
1_555 |
7 |
4 |
9106 |
28.0 |
-0.6 |
0.305 |
0 |
0 |
0 |
0.000 |
Average: |
31.3 |
-0.6 |
0.255 |
0 |
0 |
0 |
0.000 |
27 |
45 |
|
[MG]G:201 |
1 |
1 |
98 |
f |
G |
x,y,z |
1_555 |
7 |
4 |
9106 |
34.6 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.132 |
46 |
|
[MG]A:201 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
9 |
5 |
9146 |
34.2 |
-5.6 |
0.000 |
0 |
0 |
0 |
0.132 |
47 |
|
[MG]C:201 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
12 |
6 |
9233 |
33.8 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.132 |
48 |
|
[MG]E:201 |
1 |
1 |
98 |
f |
E |
x,y,z |
1_555 |
11 |
6 |
9189 |
32.9 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.132 |
Average: |
33.9 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.132 |
28 |
49 |
|
[BEF]C:203 |
2 |
1 |
180 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
13971 |
27.3 |
1.0 |
0.781 |
1 |
0 |
0 |
0.000 |
29 |
50 |
|
[BEF]A:203 |
3 |
1 |
180 |
◊ |
D |
x,y,z |
1_555 |
3 |
1 |
13972 |
27.1 |
1.1 |
0.123 |
1 |
0 |
0 |
0.000 |
30 |
51 |
|
[BEF]G:203 |
2 |
1 |
181 |
◊ |
H |
x,y,z |
1_555 |
3 |
1 |
13918 |
26.7 |
1.1 |
0.781 |
2 |
0 |
0 |
0.000 |
31 |
52 |
|
[BEF]E:203 |
3 |
1 |
181 |
◊ |
F |
x,y,z |
1_555 |
3 |
1 |
14199 |
26.4 |
1.2 |
0.124 |
2 |
0 |
0 |
0.000 |
32 |
53 |
|
[GDP]E:202 |
4 |
1 |
560 |
f |
[MG]E:201 |
x,y,z |
1_555 |
1 |
1 |
98 |
25.8 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.099 |
54 |
|
[GDP]G:202 |
4 |
1 |
563 |
f |
[MG]G:201 |
x,y,z |
1_555 |
1 |
1 |
98 |
25.5 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.099 |
55 |
|
[GDP]C:202 |
4 |
1 |
560 |
f |
[MG]C:201 |
x,y,z |
1_555 |
1 |
1 |
98 |
23.2 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.099 |
56 |
|
[GDP]A:202 |
4 |
1 |
565 |
f |
[MG]A:201 |
x,y,z |
1_555 |
1 |
1 |
98 |
22.8 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.099 |
Average: |
24.3 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.099 |
33 |
57 |
|
[BEF]E:203 |
1 |
1 |
181 |
f |
[MG]E:201 |
x,y,z |
1_555 |
1 |
1 |
98 |
20.1 |
-1.5 |
0.000 |
0 |
0 |
0 |
0.031 |
34 |
58 |
|
[BEF]A:203 |
3 |
1 |
180 |
f |
[MG]A:201 |
x,y,z |
1_555 |
1 |
1 |
98 |
16.3 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.038 |
35 |
59 |
|
[BEF]C:203 |
2 |
1 |
180 |
f |
[MG]C:201 |
x,y,z |
1_555 |
1 |
1 |
98 |
15.5 |
-1.5 |
0.000 |
0 |
0 |
0 |
0.041 |
36 |
60 |
|
[BEF]G:203 |
3 |
1 |
181 |
f |
[MG]G:201 |
x,y,z |
1_555 |
1 |
1 |
98 |
15.0 |
-1.5 |
0.000 |
0 |
0 |
0 |
0.032 |
37 |
61 |
|
[PEG]A:204 |
1 |
1 |
252 |
f |
D |
x,y,z |
1_555 |
3 |
2 |
13972 |
13.9 |
-0.5 |
0.257 |
0 |
0 |
0 |
0.012 |
38 |
62 |
|
[PEG]C:204 |
2 |
1 |
250 |
f |
B |
x,y,z |
1_555 |
3 |
2 |
13971 |
13.1 |
0.0 |
0.277 |
0 |
0 |
0 |
0.000 |
39 |
63 |
|
[PEG]C:205 |
2 |
1 |
245 |
f |
[MG]C:201 |
x,y,z |
1_555 |
1 |
1 |
98 |
11.7 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.021 |
40 |
64 |
|
[MG]G:201 |
1 |
1 |
98 |
◊ |
H |
x,y,z |
1_555 |
1 |
1 |
13918 |
11.1 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.013 |
65 |
|
[MG]E:201 |
1 |
1 |
98 |
◊ |
F |
x,y,z |
1_555 |
1 |
1 |
14199 |
10.4 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.013 |
66 |
|
[MG]C:201 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
13971 |
10.0 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.013 |
67 |
|
[MG]A:201 |
1 |
1 |
98 |
◊ |
D |
x,y,z |
1_555 |
1 |
1 |
13972 |
2.1 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.013 |
Average: |
8.4 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.013 |
41 |
68 |
|
[PEG]G:204 |
2 |
1 |
254 |
f |
H |
x,y,z |
1_555 |
2 |
1 |
13918 |
3.8 |
0.0 |
0.260 |
0 |
0 |
0 |
0.000 |
42 |
69 |
|
F |
1 |
1 |
14199 |
◊ |
D |
x,y,z |
1_555 |
1 |
1 |
13972 |
2.7 |
-0.1 |
0.411 |
0 |
0 |
0 |
0.000 |
70 |
|
H |
1 |
1 |
13918 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
13971 |
1.6 |
-0.1 |
0.474 |
0 |
0 |
0 |
0.000 |
Average: |
2.1 |
-0.1 |
0.443 |
0 |
0 |
0 |
0.000 |
|