## |
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 |
|
N |
265 |
71 |
12864 |
◊ |
M |
x,y,z |
1_555 |
273 |
81 |
21892 |
2570.9 |
-15.4 |
0.238 |
44 |
12 |
0 |
0.163 |
2 |
|
B |
257 |
70 |
12961 |
◊ |
A |
x,y,z |
1_555 |
266 |
76 |
21965 |
2536.6 |
-16.3 |
0.234 |
40 |
12 |
0 |
0.163 |
Average: |
2553.7 |
-15.9 |
0.236 |
42 |
12 |
0 |
0.163 |
2 |
3 |
|
D |
217 |
61 |
8869 |
◊ |
C |
x,y,z |
1_555 |
209 |
58 |
11177 |
2322.6 |
-48.8 |
0.482 |
13 |
3 |
0 |
0.789 |
4 |
|
P |
210 |
60 |
8758 |
◊ |
O |
x,y,z |
1_555 |
209 |
56 |
11427 |
2223.5 |
-48.2 |
0.501 |
15 |
4 |
0 |
0.789 |
Average: |
2273.1 |
-48.5 |
0.492 |
14 |
4 |
0 |
0.789 |
3 |
5 |
|
O |
130 |
27 |
11427 |
◊ |
N |
x,y,z |
1_555 |
166 |
51 |
12864 |
1419.3 |
-9.8 |
0.625 |
18 |
5 |
0 |
0.235 |
6 |
|
C |
131 |
28 |
11177 |
◊ |
B |
x,y,z |
1_555 |
147 |
48 |
12961 |
1336.2 |
-12.6 |
0.572 |
18 |
2 |
0 |
0.235 |
Average: |
1377.7 |
-11.2 |
0.599 |
18 |
4 |
0 |
0.235 |
4 |
7 |
|
D |
80 |
19 |
8869 |
◊ |
B |
x,y,z |
1_555 |
97 |
26 |
12961 |
832.7 |
-10.9 |
0.543 |
4 |
2 |
0 |
0.169 |
8 |
|
P |
83 |
19 |
8758 |
◊ |
N |
x,y,z |
1_555 |
94 |
27 |
12864 |
817.6 |
-11.0 |
0.492 |
4 |
2 |
0 |
0.169 |
Average: |
825.2 |
-11.0 |
0.518 |
4 |
2 |
0 |
0.169 |
5 |
9 |
|
[FAD]M:821 |
53 |
1 |
1017 |
f |
M |
x,y,z |
1_555 |
95 |
40 |
21892 |
704.1 |
-9.8 |
0.311 |
22 |
0 |
0 |
0.094 |
10 |
|
[FAD]A:721 |
53 |
1 |
1016 |
cf |
A |
x,y,z |
1_555 |
105 |
42 |
21965 |
703.1 |
-9.3 |
0.333 |
27 |
0 |
0 |
0.094 |
Average: |
703.6 |
-9.6 |
0.322 |
25 |
0 |
0 |
0.094 |
6 |
11 |
|
A |
63 |
20 |
21965 |
x |
A |
x-1/2,-y+1/2,-z |
4_455 |
53 |
16 |
21965 |
571.9 |
-1.3 |
0.450 |
5 |
1 |
0 |
0.000 |
7 |
12 |
|
M |
61 |
16 |
21892 |
◊ |
A |
x,y-1,z |
1_545 |
64 |
18 |
21965 |
528.0 |
-0.1 |
0.653 |
6 |
6 |
0 |
0.000 |
8 |
13 |
|
[CE1]O:813 |
30 |
1 |
997 |
f |
O |
x,y,z |
1_555 |
53 |
15 |
11427 |
417.8 |
-4.5 |
0.459 |
1 |
0 |
0 |
0.074 |
9 |
14 |
|
P |
36 |
12 |
8758 |
◊ |
D |
x,y,z |
1_555 |
33 |
12 |
8869 |
391.4 |
-7.7 |
0.602 |
0 |
0 |
0 |
0.000 |
10 |
15 |
|
[CE1]P:810 |
28 |
1 |
866 |
◊ |
D |
x,y,z |
1_555 |
39 |
12 |
8869 |
314.3 |
1.1 |
0.823 |
0 |
0 |
0 |
0.000 |
16 |
|
[CE1]P:710 |
26 |
1 |
875 |
◊ |
P |
x,y,z |
1_555 |
35 |
10 |
8758 |
286.0 |
2.3 |
0.849 |
0 |
0 |
0 |
0.000 |
Average: |
300.2 |
1.7 |
0.836 |
0 |
0 |
0 |
0.000 |
11 |
17 |
|
[1PE]A:705 |
16 |
1 |
490 |
f |
A |
x,y,z |
1_555 |
47 |
19 |
21965 |
310.3 |
-0.3 |
0.642 |
2 |
0 |
0 |
0.005 |
12 |
18 |
|
[CE1]O:812 |
27 |
1 |
827 |
f |
C |
-x+1,y-1/2,-z-1/2 |
3_644 |
31 |
10 |
11177 |
292.0 |
-6.5 |
0.311 |
0 |
0 |
0 |
0.090 |
13 |
19 |
|
O |
33 |
11 |
11427 |
◊ |
C |
-x+1,y-1/2,-z-1/2 |
3_644 |
27 |
6 |
11177 |
269.0 |
-5.5 |
0.583 |
2 |
0 |
0 |
0.041 |
14 |
20 |
|
P |
26 |
9 |
8758 |
◊ |
C |
-x+1,y-1/2,-z-1/2 |
3_644 |
21 |
6 |
11177 |
222.6 |
-4.5 |
0.621 |
1 |
0 |
0 |
0.031 |
15 |
21 |
|
P |
20 |
5 |
8758 |
◊ |
B |
x,y,z |
1_555 |
22 |
5 |
12961 |
222.5 |
-3.4 |
0.400 |
1 |
0 |
0 |
0.000 |
22 |
|
D |
24 |
6 |
8869 |
◊ |
N |
x,y,z |
1_555 |
21 |
5 |
12864 |
209.0 |
-1.7 |
0.682 |
3 |
0 |
0 |
0.000 |
Average: |
215.8 |
-2.5 |
0.541 |
2 |
0 |
0 |
0.000 |
16 |
23 |
|
[CE1]P:810 |
19 |
1 |
866 |
f |
P |
x,y,z |
1_555 |
27 |
12 |
8758 |
219.2 |
-5.5 |
0.291 |
0 |
0 |
0 |
0.100 |
24 |
|
[CE1]P:710 |
17 |
1 |
875 |
f |
D |
x,y,z |
1_555 |
31 |
12 |
8869 |
208.2 |
-4.9 |
0.336 |
0 |
0 |
0 |
0.100 |
Average: |
213.7 |
-5.2 |
0.313 |
0 |
0 |
0 |
0.100 |
17 |
25 |
|
[HQO]N:800 |
18 |
1 |
480 |
◊ |
P |
x,y,z |
1_555 |
27 |
8 |
8758 |
184.7 |
-0.1 |
0.630 |
2 |
0 |
0 |
0.014 |
26 |
|
[HQO]C:700 |
18 |
1 |
479 |
◊ |
D |
x,y,z |
1_555 |
24 |
8 |
8869 |
178.9 |
0.1 |
0.625 |
1 |
0 |
0 |
0.014 |
Average: |
181.8 |
0.0 |
0.627 |
2 |
0 |
0 |
0.014 |
18 |
27 |
|
[SF4]B:246 |
8 |
1 |
297 |
f |
B |
x,y,z |
1_555 |
25 |
14 |
12961 |
181.3 |
-21.2 |
0.395 |
0 |
0 |
0 |
0.261 |
19 |
28 |
|
[F3S]B:245 |
7 |
1 |
303 |
f |
B |
x,y,z |
1_555 |
26 |
14 |
12961 |
179.8 |
-19.0 |
0.394 |
4 |
0 |
0 |
0.259 |
29 |
|
[F3S]N:245 |
7 |
1 |
302 |
f |
N |
x,y,z |
1_555 |
21 |
13 |
12864 |
176.7 |
-18.7 |
0.544 |
3 |
0 |
0 |
0.259 |
Average: |
178.2 |
-18.9 |
0.469 |
4 |
0 |
0 |
0.259 |
20 |
30 |
|
C |
18 |
3 |
11177 |
◊ |
A |
x,y,z |
1_555 |
16 |
6 |
21965 |
177.3 |
-0.9 |
0.592 |
3 |
3 |
0 |
0.010 |
31 |
|
O |
20 |
3 |
11427 |
◊ |
M |
x,y,z |
1_555 |
18 |
6 |
21892 |
173.8 |
-0.4 |
0.600 |
3 |
3 |
0 |
0.010 |
Average: |
175.5 |
-0.7 |
0.596 |
3 |
3 |
0 |
0.010 |
21 |
32 |
|
[CE1]O:811 |
15 |
1 |
853 |
◊ |
O |
x,y,z |
1_555 |
21 |
7 |
11427 |
168.7 |
-2.2 |
0.471 |
0 |
0 |
0 |
0.014 |
22 |
33 |
|
[HQO]N:800 |
12 |
1 |
480 |
f |
O |
x,y,z |
1_555 |
22 |
7 |
11427 |
159.3 |
-0.9 |
0.458 |
2 |
0 |
0 |
0.030 |
34 |
|
[HQO]C:700 |
11 |
1 |
479 |
f |
C |
x,y,z |
1_555 |
24 |
7 |
11177 |
158.4 |
-1.3 |
0.456 |
2 |
0 |
0 |
0.030 |
Average: |
158.8 |
-1.1 |
0.457 |
2 |
0 |
0 |
0.030 |
23 |
35 |
|
[SF4]N:246 |
8 |
1 |
291 |
f |
N |
x,y,z |
1_555 |
20 |
10 |
12864 |
159.2 |
-19.6 |
0.410 |
1 |
0 |
0 |
0.259 |
24 |
36 |
|
[CE1]O:811 |
15 |
1 |
853 |
f |
D |
-x+1,y-1/2,-z-1/2 |
3_644 |
22 |
6 |
8869 |
157.7 |
-2.6 |
0.443 |
0 |
0 |
0 |
0.035 |
25 |
37 |
|
[OAA]M:802 |
9 |
1 |
262 |
f |
M |
x,y,z |
1_555 |
27 |
12 |
21892 |
152.9 |
1.1 |
0.632 |
7 |
0 |
0 |
0.009 |
38 |
|
[OAA]A:702 |
9 |
1 |
263 |
f |
A |
x,y,z |
1_555 |
26 |
13 |
21965 |
151.1 |
0.9 |
0.601 |
5 |
0 |
0 |
0.009 |
Average: |
152.0 |
1.0 |
0.617 |
6 |
0 |
0 |
0.009 |
26 |
39 |
|
[CE1]O:812 |
14 |
1 |
827 |
◊ |
O |
x,y,z |
1_555 |
12 |
4 |
11427 |
128.3 |
-2.3 |
0.433 |
0 |
0 |
0 |
0.015 |
27 |
40 |
|
[FES]N:244 |
4 |
1 |
236 |
f |
N |
x,y,z |
1_555 |
18 |
12 |
12864 |
125.5 |
-16.4 |
0.625 |
1 |
0 |
0 |
0.218 |
41 |
|
[FES]B:244 |
4 |
1 |
237 |
f |
B |
x,y,z |
1_555 |
15 |
11 |
12961 |
125.4 |
-16.6 |
0.635 |
1 |
0 |
0 |
0.218 |
Average: |
125.4 |
-16.5 |
0.630 |
1 |
0 |
0 |
0.218 |
28 |
42 |
|
[HQO]C:700 |
18 |
1 |
479 |
◊ |
B |
x,y,z |
1_555 |
17 |
7 |
12961 |
124.6 |
0.9 |
0.495 |
2 |
0 |
0 |
0.000 |
43 |
|
[HQO]N:800 |
18 |
1 |
480 |
◊ |
N |
x,y,z |
1_555 |
15 |
7 |
12864 |
115.4 |
0.9 |
0.486 |
2 |
0 |
0 |
0.000 |
Average: |
120.0 |
0.9 |
0.490 |
2 |
0 |
0 |
0.000 |
29 |
44 |
|
[K]M:820 |
1 |
1 |
216 |
f |
M |
x,y,z |
1_555 |
16 |
9 |
21892 |
121.0 |
-107.3 |
0.000 |
0 |
0 |
0 |
0.476 |
45 |
|
[K]A:720 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
11 |
9 |
21965 |
118.3 |
-107.1 |
0.000 |
0 |
0 |
0 |
0.476 |
Average: |
119.6 |
-107.2 |
0.000 |
0 |
0 |
0 |
0.476 |
30 |
46 |
|
[CE1]P:810 |
15 |
1 |
866 |
◊ |
[CE1]P:710 |
x,y,z |
1_555 |
16 |
1 |
875 |
120.8 |
-1.2 |
0.362 |
0 |
0 |
0 |
0.000 |
31 |
47 |
|
[CE1]O:811 |
8 |
1 |
853 |
◊ |
C |
-x+1,y-1/2,-z-1/2 |
3_644 |
17 |
5 |
11177 |
117.5 |
-0.9 |
0.610 |
0 |
0 |
0 |
0.013 |
32 |
48 |
|
[CE1]O:812 |
11 |
1 |
827 |
◊ |
P |
x,y,z |
1_555 |
16 |
6 |
8758 |
104.8 |
-2.5 |
0.462 |
0 |
0 |
0 |
0.016 |
33 |
49 |
|
[ACT]A:703 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
14 |
5 |
21965 |
99.1 |
-0.4 |
0.629 |
0 |
0 |
0 |
0.002 |
34 |
50 |
|
[ACT]N:803 |
4 |
1 |
185 |
f |
N |
x,y,z |
1_555 |
12 |
5 |
12864 |
93.4 |
-0.6 |
0.556 |
1 |
0 |
0 |
0.014 |
35 |
51 |
|
[CE1]O:813 |
8 |
1 |
997 |
◊ |
[CE1]O:811 |
x,y,z |
1_555 |
14 |
1 |
853 |
93.4 |
0.9 |
0.493 |
0 |
0 |
0 |
0.000 |
36 |
52 |
|
[ACT]B:704 |
4 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
12 |
5 |
12961 |
89.9 |
-0.2 |
0.697 |
0 |
0 |
0 |
0.003 |
37 |
53 |
|
[CE1]O:813 |
7 |
1 |
997 |
◊ |
C |
-x+1,y-1/2,-z-1/2 |
3_644 |
13 |
2 |
11177 |
69.5 |
2.5 |
0.840 |
0 |
0 |
0 |
0.000 |
38 |
54 |
|
[CE1]P:710 |
8 |
1 |
875 |
◊ |
B |
x,y,z |
1_555 |
9 |
3 |
12961 |
67.1 |
-1.4 |
0.306 |
0 |
0 |
0 |
0.018 |
55 |
|
[CE1]P:810 |
6 |
1 |
866 |
◊ |
N |
x,y,z |
1_555 |
6 |
2 |
12864 |
50.6 |
-0.8 |
0.345 |
0 |
0 |
0 |
0.018 |
Average: |
58.8 |
-1.1 |
0.325 |
0 |
0 |
0 |
0.018 |
39 |
56 |
|
[ACT]N:803 |
4 |
1 |
185 |
◊ |
M |
x,y,z |
1_555 |
9 |
3 |
21892 |
64.2 |
0.2 |
0.699 |
0 |
0 |
0 |
0.000 |
40 |
57 |
|
[ACT]B:704 |
4 |
1 |
183 |
◊ |
A |
x,y,z |
1_555 |
9 |
4 |
21965 |
60.2 |
0.3 |
0.782 |
0 |
0 |
0 |
0.000 |
41 |
58 |
|
[FAD]A:721 |
14 |
1 |
1016 |
f |
[OAA]A:702 |
x,y,z |
1_555 |
7 |
1 |
263 |
57.2 |
-0.5 |
0.455 |
0 |
0 |
0 |
0.003 |
59 |
|
[FAD]M:821 |
14 |
1 |
1017 |
f |
[OAA]M:802 |
x,y,z |
1_555 |
7 |
1 |
262 |
56.6 |
-0.6 |
0.457 |
0 |
0 |
0 |
0.003 |
Average: |
56.9 |
-0.6 |
0.456 |
0 |
0 |
0 |
0.003 |
42 |
60 |
|
[CE1]O:813 |
8 |
1 |
997 |
◊ |
P |
x,y,z |
1_555 |
3 |
2 |
8758 |
52.3 |
-1.6 |
0.233 |
0 |
0 |
0 |
0.023 |
43 |
61 |
|
[CE1]O:813 |
5 |
1 |
997 |
◊ |
D |
-x+1,y-1/2,-z-1/2 |
3_644 |
3 |
1 |
8869 |
39.4 |
0.7 |
0.439 |
0 |
0 |
0 |
0.000 |
44 |
62 |
|
O |
3 |
1 |
11427 |
◊ |
D |
-x+1,y-1/2,-z-1/2 |
3_644 |
4 |
2 |
8869 |
36.1 |
-0.9 |
0.445 |
0 |
0 |
0 |
0.006 |
45 |
63 |
|
A |
3 |
1 |
21965 |
◊ |
B |
x-1/2,-y+1/2,-z |
4_455 |
4 |
1 |
12961 |
34.2 |
0.6 |
0.815 |
2 |
0 |
0 |
0.000 |
46 |
64 |
|
[FAD]M:821 |
1 |
1 |
1017 |
◊ |
N |
x,y,z |
1_555 |
2 |
1 |
12864 |
15.7 |
-0.9 |
0.133 |
0 |
0 |
0 |
0.004 |
65 |
|
[FAD]A:721 |
1 |
1 |
1016 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
12961 |
15.7 |
-0.8 |
0.147 |
0 |
0 |
0 |
0.004 |
Average: |
15.7 |
-0.8 |
0.140 |
0 |
0 |
0 |
0.004 |
47 |
66 |
|
M |
1 |
1 |
21892 |
◊ |
N |
x-1/2,-y-1/2,-z |
4_445 |
1 |
1 |
12864 |
5.0 |
0.2 |
0.818 |
0 |
0 |
0 |
0.000 |
48 |
67 |
|
[FES]N:244 |
2 |
1 |
236 |
◊ |
M |
x,y,z |
1_555 |
1 |
1 |
21892 |
4.1 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.002 |
68 |
|
[FES]B:244 |
1 |
1 |
237 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
21965 |
1.3 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.002 |
Average: |
2.7 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.002 |
49 |
69 |
|
[CE1]P:710 |
1 |
1 |
875 |
◊ |
N |
x,y,z |
1_555 |
1 |
1 |
12864 |
0.3 |
0.0 |
0.639 |
0 |
0 |
0 |
0.000 |
50 |
70 |
|
[F3S]B:245 |
1 |
1 |
303 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
11177 |
0.1 |
-0.0 |
0.000 |
0 |
0 |
0 |
0.000 |
|