## |
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 |
|
F |
343 |
94 |
28235 |
◊ |
E |
x,y,z |
1_555 |
350 |
92 |
20035 |
3459.4 |
-25.0 |
0.169 |
51 |
34 |
0 |
0.377 |
2 |
|
D |
351 |
95 |
27955 |
◊ |
C |
x,y,z |
1_555 |
345 |
92 |
19875 |
3427.8 |
-26.3 |
0.143 |
45 |
34 |
0 |
0.377 |
3 |
|
H |
352 |
93 |
27934 |
◊ |
G |
x,y,z |
1_555 |
339 |
91 |
20004 |
3427.2 |
-24.5 |
0.197 |
46 |
38 |
0 |
0.377 |
4 |
|
B |
351 |
92 |
28027 |
◊ |
A |
x,y,z |
1_555 |
348 |
92 |
19949 |
3399.3 |
-22.1 |
0.257 |
51 |
32 |
0 |
0.377 |
Average: |
3428.4 |
-24.5 |
0.192 |
48 |
35 |
0 |
0.377 |
2 |
5 |
|
D |
238 |
65 |
27955 |
◊ |
B |
x,y,z |
1_555 |
240 |
66 |
28027 |
2219.8 |
-9.8 |
0.505 |
34 |
12 |
0 |
0.335 |
6 |
|
H |
230 |
66 |
27934 |
◊ |
F |
x,y,z |
1_555 |
236 |
65 |
28235 |
2203.6 |
-11.9 |
0.410 |
37 |
15 |
0 |
0.335 |
Average: |
2211.7 |
-10.9 |
0.458 |
36 |
14 |
0 |
0.335 |
3 |
7 |
|
[FAD]G:1465 |
51 |
1 |
981 |
f |
G |
x,y,z |
1_555 |
94 |
38 |
20004 |
686.7 |
-9.2 |
0.526 |
24 |
0 |
0 |
0.143 |
8 |
|
[FAD]E:1465 |
52 |
1 |
974 |
f |
E |
x,y,z |
1_555 |
98 |
38 |
20035 |
685.9 |
-9.0 |
0.478 |
25 |
0 |
0 |
0.143 |
9 |
|
[FAD]C:1465 |
51 |
1 |
977 |
f |
C |
x,y,z |
1_555 |
97 |
38 |
19875 |
676.7 |
-7.8 |
0.524 |
25 |
0 |
0 |
0.143 |
10 |
|
[FAD]A:1465 |
50 |
1 |
974 |
f |
A |
x,y,z |
1_555 |
94 |
37 |
19949 |
669.3 |
-7.7 |
0.529 |
24 |
0 |
0 |
0.143 |
Average: |
679.7 |
-8.4 |
0.514 |
25 |
0 |
0 |
0.143 |
4 |
11 |
|
D |
54 |
14 |
27955 |
◊ |
H |
x,y-1,z |
1_545 |
56 |
19 |
27934 |
478.6 |
0.1 |
0.549 |
5 |
12 |
0 |
0.000 |
12 |
|
F |
56 |
14 |
28235 |
◊ |
B |
x,y,z |
1_555 |
52 |
19 |
28027 |
454.0 |
-2.4 |
0.365 |
4 |
6 |
0 |
0.000 |
Average: |
466.3 |
-1.2 |
0.457 |
5 |
9 |
0 |
0.000 |
5 |
13 |
|
D |
49 |
15 |
27955 |
◊ |
F |
x-1,y-1,z-1 |
1_444 |
48 |
15 |
28235 |
433.5 |
-2.0 |
0.525 |
6 |
7 |
0 |
0.000 |
6 |
14 |
|
[MPN]B:1778 |
24 |
1 |
527 |
f |
B |
x,y,z |
1_555 |
63 |
21 |
28027 |
307.9 |
-8.6 |
0.408 |
9 |
0 |
0 |
0.287 |
15 |
|
[MPN]H:1778 |
24 |
1 |
525 |
f |
H |
x,y,z |
1_555 |
59 |
20 |
27934 |
307.0 |
-8.2 |
0.400 |
10 |
0 |
0 |
0.287 |
16 |
|
[MPN]F:1778 |
24 |
1 |
523 |
f |
F |
x,y,z |
1_555 |
60 |
22 |
28235 |
300.5 |
-8.4 |
0.405 |
11 |
0 |
0 |
0.287 |
17 |
|
[MPN]D:1778 |
24 |
1 |
523 |
f |
D |
x,y,z |
1_555 |
60 |
21 |
27955 |
298.7 |
-8.1 |
0.417 |
9 |
0 |
0 |
0.287 |
Average: |
303.5 |
-8.3 |
0.407 |
10 |
0 |
0 |
0.287 |
7 |
18 |
|
C |
29 |
6 |
19875 |
◊ |
B |
x-1,y,z |
1_455 |
31 |
10 |
28027 |
257.3 |
1.4 |
0.800 |
5 |
2 |
0 |
0.000 |
8 |
19 |
|
F |
28 |
8 |
28235 |
◊ |
A |
x,y,z |
1_555 |
22 |
8 |
19949 |
241.6 |
-1.1 |
0.281 |
3 |
0 |
0 |
0.000 |
20 |
|
D |
25 |
8 |
27955 |
◊ |
G |
x,y-1,z |
1_545 |
17 |
7 |
20004 |
205.9 |
-1.1 |
0.246 |
2 |
0 |
0 |
0.000 |
Average: |
223.7 |
-1.1 |
0.264 |
3 |
0 |
0 |
0.000 |
9 |
21 |
|
D |
23 |
10 |
27955 |
◊ |
E |
x-1,y-1,z-1 |
1_444 |
24 |
8 |
20035 |
197.4 |
-2.0 |
0.365 |
0 |
0 |
0 |
0.000 |
22 |
|
C |
22 |
5 |
19875 |
◊ |
F |
x-1,y-1,z-1 |
1_444 |
17 |
6 |
28235 |
183.8 |
-1.4 |
0.431 |
2 |
0 |
0 |
0.000 |
Average: |
190.6 |
-1.7 |
0.398 |
1 |
0 |
0 |
0.000 |
10 |
23 |
|
[XAN]F:1780 |
11 |
1 |
278 |
f |
F |
x,y,z |
1_555 |
28 |
12 |
28235 |
186.9 |
3.0 |
0.430 |
3 |
0 |
0 |
0.000 |
24 |
|
[XAN]D:1780 |
11 |
1 |
277 |
f |
D |
x,y,z |
1_555 |
32 |
12 |
27955 |
176.3 |
4.0 |
0.586 |
4 |
0 |
0 |
0.000 |
Average: |
181.6 |
3.5 |
0.508 |
4 |
0 |
0 |
0.000 |
11 |
25 |
|
[XAN]B:1780 |
11 |
1 |
280 |
f |
B |
x,y,z |
1_555 |
31 |
13 |
28027 |
178.1 |
2.9 |
0.432 |
5 |
0 |
0 |
0.000 |
26 |
|
[XAN]H:1780 |
11 |
1 |
277 |
f |
H |
x,y,z |
1_555 |
29 |
12 |
27934 |
172.9 |
3.2 |
0.471 |
4 |
0 |
0 |
0.000 |
Average: |
175.5 |
3.0 |
0.451 |
5 |
0 |
0 |
0.000 |
12 |
27 |
|
G |
18 |
7 |
20004 |
◊ |
E |
x-1,y,z |
1_455 |
19 |
5 |
20035 |
168.8 |
-1.2 |
0.472 |
0 |
0 |
0 |
0.000 |
13 |
28 |
|
[FES]G:1464 |
4 |
1 |
235 |
f |
G |
x,y,z |
1_555 |
19 |
12 |
20004 |
128.0 |
-16.9 |
0.599 |
2 |
0 |
0 |
0.129 |
29 |
|
[FES]C:1464 |
4 |
1 |
235 |
f |
C |
x,y,z |
1_555 |
19 |
12 |
19875 |
127.2 |
-17.0 |
0.587 |
1 |
0 |
0 |
0.129 |
30 |
|
[FES]A:1464 |
4 |
1 |
234 |
f |
A |
x,y,z |
1_555 |
16 |
11 |
19949 |
124.0 |
-16.7 |
0.399 |
2 |
0 |
0 |
0.129 |
Average: |
126.4 |
-16.9 |
0.528 |
2 |
0 |
0 |
0.129 |
14 |
31 |
|
[FES]E:1464 |
4 |
1 |
237 |
f |
E |
x,y,z |
1_555 |
15 |
11 |
20035 |
125.8 |
-17.0 |
0.592 |
2 |
0 |
0 |
0.126 |
15 |
32 |
|
[FES]E:1463 |
4 |
1 |
236 |
f |
E |
x,y,z |
1_555 |
18 |
13 |
20035 |
113.1 |
-14.0 |
0.279 |
3 |
0 |
0 |
0.108 |
33 |
|
[FES]A:1463 |
4 |
1 |
233 |
f |
A |
x,y,z |
1_555 |
20 |
12 |
19949 |
107.3 |
-13.2 |
0.487 |
2 |
0 |
0 |
0.108 |
34 |
|
[FES]G:1463 |
4 |
1 |
235 |
f |
G |
x,y,z |
1_555 |
19 |
12 |
20004 |
104.8 |
-13.3 |
0.515 |
1 |
0 |
0 |
0.108 |
Average: |
108.4 |
-13.5 |
0.427 |
2 |
0 |
0 |
0.108 |
16 |
35 |
|
[FES]C:1463 |
4 |
1 |
235 |
f |
C |
x,y,z |
1_555 |
18 |
13 |
19875 |
108.7 |
-13.7 |
0.317 |
1 |
0 |
0 |
0.104 |
17 |
36 |
|
[MOM]F:1781 |
4 |
1 |
196 |
f |
F |
x,y,z |
1_555 |
25 |
14 |
28235 |
88.1 |
-1.9 |
0.570 |
1 |
0 |
0 |
0.058 |
37 |
|
[MOM]H:1781 |
4 |
1 |
197 |
f |
H |
x,y,z |
1_555 |
23 |
14 |
27934 |
87.8 |
-1.8 |
0.595 |
2 |
0 |
0 |
0.058 |
38 |
|
[MOM]B:1781 |
4 |
1 |
197 |
f |
B |
x,y,z |
1_555 |
24 |
14 |
28027 |
87.7 |
-1.8 |
0.592 |
1 |
0 |
0 |
0.058 |
39 |
|
[MOM]D:1781 |
4 |
1 |
198 |
f |
D |
x,y,z |
1_555 |
23 |
13 |
27955 |
84.0 |
-1.8 |
0.601 |
2 |
0 |
0 |
0.058 |
Average: |
86.9 |
-1.8 |
0.590 |
2 |
0 |
0 |
0.058 |
18 |
40 |
|
H |
15 |
8 |
27934 |
◊ |
E |
x-1,y,z |
1_455 |
12 |
6 |
20035 |
82.0 |
-0.3 |
0.467 |
0 |
2 |
0 |
0.000 |
19 |
41 |
|
[FES]G:1463 |
2 |
1 |
235 |
◊ |
H |
x,y,z |
1_555 |
12 |
6 |
27934 |
51.4 |
-4.5 |
0.531 |
0 |
0 |
0 |
0.032 |
42 |
|
[FES]C:1463 |
2 |
1 |
235 |
◊ |
D |
x,y,z |
1_555 |
12 |
6 |
27955 |
49.8 |
-4.3 |
0.482 |
0 |
0 |
0 |
0.032 |
43 |
|
[FES]A:1463 |
2 |
1 |
233 |
◊ |
B |
x,y,z |
1_555 |
12 |
6 |
28027 |
48.3 |
-4.3 |
0.546 |
0 |
0 |
0 |
0.032 |
Average: |
49.8 |
-4.4 |
0.520 |
0 |
0 |
0 |
0.032 |
20 |
44 |
|
[MPN]B:1778 |
4 |
1 |
527 |
◊ |
A |
x,y,z |
1_555 |
10 |
3 |
19949 |
50.6 |
0.2 |
0.519 |
2 |
0 |
0 |
0.005 |
45 |
|
[MPN]H:1778 |
4 |
1 |
525 |
◊ |
G |
x,y,z |
1_555 |
9 |
3 |
20004 |
50.1 |
0.2 |
0.505 |
2 |
0 |
0 |
0.005 |
46 |
|
[MPN]F:1778 |
4 |
1 |
523 |
◊ |
E |
x,y,z |
1_555 |
9 |
3 |
20035 |
49.7 |
0.2 |
0.524 |
1 |
0 |
0 |
0.005 |
47 |
|
[MPN]D:1778 |
4 |
1 |
523 |
◊ |
C |
x,y,z |
1_555 |
9 |
3 |
19875 |
48.6 |
0.3 |
0.581 |
1 |
0 |
0 |
0.005 |
Average: |
49.7 |
0.2 |
0.532 |
2 |
0 |
0 |
0.005 |
21 |
48 |
|
[MOM]F:1781 |
4 |
1 |
196 |
f |
[MPN]F:1778 |
x,y,z |
1_555 |
2 |
1 |
523 |
49.0 |
-4.2 |
0.243 |
0 |
0 |
0 |
0.097 |
49 |
|
[MOM]B:1781 |
4 |
1 |
197 |
f |
[MPN]B:1778 |
x,y,z |
1_555 |
2 |
1 |
527 |
48.9 |
-4.2 |
0.302 |
0 |
0 |
0 |
0.097 |
50 |
|
[MOM]H:1781 |
4 |
1 |
197 |
f |
[MPN]H:1778 |
x,y,z |
1_555 |
2 |
1 |
525 |
48.9 |
-4.3 |
0.278 |
0 |
0 |
0 |
0.097 |
51 |
|
[MOM]D:1781 |
4 |
1 |
198 |
f |
[MPN]D:1778 |
x,y,z |
1_555 |
2 |
1 |
523 |
47.5 |
-4.1 |
0.302 |
0 |
0 |
0 |
0.097 |
Average: |
48.6 |
-4.2 |
0.281 |
0 |
0 |
0 |
0.097 |
22 |
52 |
|
[FES]E:1463 |
2 |
1 |
236 |
◊ |
F |
x,y,z |
1_555 |
12 |
6 |
28235 |
47.5 |
-4.2 |
0.482 |
0 |
0 |
0 |
0.030 |
23 |
53 |
|
[CA]B:1779 |
1 |
1 |
85 |
f |
B |
x,y,z |
1_555 |
9 |
7 |
28027 |
44.7 |
-13.1 |
0.000 |
0 |
0 |
0 |
0.303 |
54 |
|
[CA]F:1779 |
1 |
1 |
85 |
f |
F |
x,y,z |
1_555 |
8 |
6 |
28235 |
44.6 |
-12.9 |
0.000 |
0 |
0 |
0 |
0.303 |
55 |
|
[CA]H:1779 |
1 |
1 |
85 |
f |
H |
x,y,z |
1_555 |
9 |
6 |
27934 |
44.4 |
-13.1 |
0.000 |
0 |
0 |
0 |
0.303 |
56 |
|
[CA]D:1779 |
1 |
1 |
85 |
f |
D |
x,y,z |
1_555 |
7 |
5 |
27955 |
44.2 |
-13.0 |
0.000 |
0 |
0 |
0 |
0.303 |
Average: |
44.5 |
-13.0 |
0.000 |
0 |
0 |
0 |
0.303 |
24 |
57 |
|
H |
3 |
1 |
27934 |
◊ |
B |
x-1,y,z |
1_455 |
3 |
1 |
28027 |
27.7 |
0.9 |
0.831 |
1 |
0 |
0 |
0.000 |
25 |
58 |
|
[MOM]D:1781 |
2 |
1 |
198 |
f |
[XAN]D:1780 |
x,y,z |
1_555 |
2 |
1 |
277 |
26.8 |
0.9 |
0.803 |
0 |
0 |
0 |
0.000 |
26 |
59 |
|
[MOM]F:1781 |
2 |
1 |
196 |
f |
[XAN]F:1780 |
x,y,z |
1_555 |
2 |
1 |
278 |
23.1 |
0.9 |
0.666 |
0 |
0 |
0 |
0.000 |
27 |
60 |
|
[MOM]B:1781 |
2 |
1 |
197 |
f |
[XAN]B:1780 |
x,y,z |
1_555 |
2 |
1 |
280 |
21.7 |
1.0 |
0.803 |
0 |
0 |
0 |
0.000 |
61 |
|
[MOM]H:1781 |
2 |
1 |
197 |
f |
[XAN]H:1780 |
x,y,z |
1_555 |
2 |
1 |
277 |
21.5 |
0.9 |
0.803 |
0 |
0 |
0 |
0.000 |
Average: |
21.6 |
1.0 |
0.803 |
0 |
0 |
0 |
0.000 |
28 |
62 |
|
[MPN]B:1778 |
2 |
1 |
527 |
◊ |
[FES]A:1463 |
x,y,z |
1_555 |
2 |
1 |
233 |
11.7 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.006 |
63 |
|
[MPN]H:1778 |
2 |
1 |
525 |
◊ |
[FES]G:1463 |
x,y,z |
1_555 |
2 |
1 |
235 |
8.2 |
-0.7 |
0.000 |
0 |
0 |
0 |
0.006 |
64 |
|
[MPN]D:1778 |
2 |
1 |
523 |
◊ |
[FES]C:1463 |
x,y,z |
1_555 |
1 |
1 |
235 |
6.7 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.006 |
Average: |
8.9 |
-0.7 |
0.000 |
0 |
0 |
0 |
0.006 |
29 |
65 |
|
[MPN]F:1778 |
2 |
1 |
523 |
◊ |
[FES]E:1463 |
x,y,z |
1_555 |
1 |
1 |
236 |
9.8 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.006 |
30 |
66 |
|
[XAN]D:1780 |
2 |
1 |
277 |
f |
[MPN]D:1778 |
x,y,z |
1_555 |
1 |
1 |
523 |
9.7 |
-0.1 |
0.236 |
0 |
0 |
0 |
0.000 |
31 |
67 |
|
[FES]A:1464 |
1 |
1 |
234 |
◊ |
B |
x,y,z |
1_555 |
2 |
2 |
28027 |
7.8 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.007 |
68 |
|
[FES]C:1464 |
1 |
1 |
235 |
◊ |
D |
x,y,z |
1_555 |
2 |
2 |
27955 |
4.5 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.007 |
Average: |
6.1 |
-0.7 |
0.000 |
0 |
0 |
0 |
0.007 |
32 |
69 |
|
[FES]G:1464 |
1 |
1 |
235 |
◊ |
H |
x,y,z |
1_555 |
2 |
2 |
27934 |
5.2 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.004 |
70 |
|
[FES]E:1464 |
1 |
1 |
237 |
◊ |
F |
x,y,z |
1_555 |
2 |
2 |
28235 |
3.7 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.004 |
Average: |
4.4 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.004 |
33 |
71 |
|
[XAN]F:1780 |
1 |
1 |
278 |
f |
[MPN]F:1778 |
x,y,z |
1_555 |
1 |
1 |
523 |
4.5 |
-0.0 |
0.302 |
0 |
0 |
0 |
0.000 |
34 |
72 |
|
[XAN]B:1780 |
1 |
1 |
280 |
f |
[MPN]B:1778 |
x,y,z |
1_555 |
1 |
1 |
527 |
2.8 |
-0.0 |
0.302 |
0 |
0 |
0 |
0.000 |
73 |
|
[XAN]H:1780 |
1 |
1 |
277 |
f |
[MPN]H:1778 |
x,y,z |
1_555 |
1 |
1 |
525 |
2.5 |
-0.0 |
0.302 |
0 |
0 |
0 |
0.000 |
Average: |
2.6 |
-0.0 |
0.302 |
0 |
0 |
0 |
0.000 |
35 |
74 |
|
[FAD]A:1465 |
1 |
1 |
974 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
28027 |
0.9 |
-0.0 |
0.511 |
0 |
0 |
0 |
0.000 |
75 |
|
[FAD]G:1465 |
1 |
1 |
981 |
◊ |
H |
x,y,z |
1_555 |
1 |
1 |
27934 |
0.2 |
-0.0 |
0.570 |
0 |
0 |
0 |
0.000 |
Average: |
0.5 |
-0.0 |
0.541 |
0 |
0 |
0 |
0.000 |
|