## |
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 |
132 |
31 |
17902 |
◊ |
C |
x,y,z |
1_555 |
133 |
34 |
17659 |
1227.0 |
-7.7 |
0.419 |
18 |
8 |
0 |
0.054 |
2 |
|
B |
121 |
28 |
17788 |
◊ |
A |
x,y,z |
1_555 |
123 |
29 |
17476 |
1145.3 |
-9.8 |
0.293 |
16 |
6 |
0 |
0.054 |
Average: |
1186.1 |
-8.8 |
0.356 |
17 |
7 |
0 |
0.054 |
2 |
3 |
|
F |
119 |
28 |
16635 |
◊ |
E |
x,y,z |
1_555 |
122 |
28 |
17407 |
1104.6 |
-7.6 |
0.379 |
15 |
6 |
0 |
0.056 |
3 |
4 |
|
F |
88 |
25 |
16635 |
◊ |
B |
x,y,z |
1_555 |
92 |
31 |
17788 |
803.2 |
-6.9 |
0.329 |
9 |
2 |
0 |
0.027 |
4 |
5 |
|
D |
84 |
31 |
17902 |
◊ |
B |
x,y,z |
1_555 |
86 |
24 |
17788 |
749.4 |
-4.7 |
0.460 |
10 |
2 |
0 |
0.065 |
6 |
|
E |
82 |
23 |
17407 |
◊ |
C |
x,y,z |
1_555 |
87 |
30 |
17659 |
730.2 |
-3.3 |
0.564 |
8 |
2 |
0 |
0.065 |
7 |
|
E |
80 |
29 |
17407 |
◊ |
A |
x,y,z |
1_555 |
82 |
24 |
17476 |
725.8 |
-6.1 |
0.353 |
8 |
2 |
0 |
0.065 |
8 |
|
C |
87 |
24 |
17659 |
◊ |
A |
x,y,z |
1_555 |
82 |
29 |
17476 |
717.3 |
-5.7 |
0.396 |
7 |
2 |
0 |
0.065 |
Average: |
730.7 |
-4.9 |
0.443 |
8 |
2 |
0 |
0.065 |
5 |
9 |
|
F |
73 |
25 |
16635 |
◊ |
D |
x,y,z |
1_555 |
72 |
22 |
17902 |
693.3 |
-6.4 |
0.272 |
7 |
2 |
0 |
0.038 |
6 |
10 |
|
E |
64 |
20 |
17407 |
◊ |
D |
x-1,y,z |
1_455 |
67 |
20 |
17902 |
607.9 |
1.4 |
0.805 |
4 |
3 |
0 |
0.000 |
7 |
11 |
|
[NAD]F:501 |
44 |
1 |
827 |
f |
F |
x,y,z |
1_555 |
80 |
30 |
16635 |
579.7 |
-8.3 |
0.455 |
15 |
0 |
0 |
0.058 |
8 |
12 |
|
[NAD]D:502 |
39 |
1 |
828 |
f |
D |
x,y,z |
1_555 |
64 |
23 |
17902 |
478.0 |
-5.1 |
0.525 |
10 |
0 |
0 |
0.070 |
13 |
|
[NAD]B:501 |
40 |
1 |
829 |
f |
B |
x,y,z |
1_555 |
65 |
22 |
17788 |
477.0 |
-5.2 |
0.545 |
10 |
0 |
0 |
0.070 |
14 |
|
[NAD]A:501 |
39 |
1 |
822 |
f |
A |
x,y,z |
1_555 |
61 |
21 |
17476 |
471.6 |
-5.4 |
0.490 |
10 |
0 |
0 |
0.070 |
15 |
|
[NAD]C:501 |
37 |
1 |
829 |
f |
C |
x,y,z |
1_555 |
60 |
21 |
17659 |
470.5 |
-4.5 |
0.550 |
10 |
0 |
0 |
0.070 |
16 |
|
[NAD]E:502 |
40 |
1 |
833 |
f |
E |
x,y,z |
1_555 |
62 |
22 |
17407 |
462.6 |
-5.5 |
0.555 |
9 |
0 |
0 |
0.070 |
Average: |
471.9 |
-5.2 |
0.533 |
10 |
0 |
0 |
0.070 |
9 |
17 |
|
A |
33 |
12 |
17476 |
x |
A |
x-1/2,-y+1/2,-z+1 |
4_456 |
34 |
9 |
17476 |
291.3 |
-2.7 |
0.397 |
3 |
3 |
0 |
0.000 |
10 |
18 |
|
A |
33 |
11 |
17476 |
◊ |
C |
x-1/2,-y-1/2,-z+1 |
4_446 |
31 |
11 |
17659 |
288.1 |
2.6 |
0.825 |
5 |
2 |
0 |
0.000 |
11 |
19 |
|
D |
35 |
13 |
17902 |
◊ |
B |
-x+1,y-1/2,-z+1/2 |
3_645 |
40 |
13 |
17788 |
270.4 |
-0.4 |
0.618 |
1 |
1 |
0 |
0.000 |
12 |
20 |
|
C |
30 |
10 |
17659 |
◊ |
B |
x,y-1,z |
1_545 |
23 |
8 |
17788 |
237.0 |
3.5 |
0.921 |
5 |
4 |
0 |
0.000 |
13 |
21 |
|
E |
22 |
11 |
17407 |
◊ |
C |
x-1/2,-y-1/2,-z+1 |
4_446 |
20 |
10 |
17659 |
191.7 |
2.4 |
0.878 |
1 |
1 |
0 |
0.000 |
14 |
22 |
|
F |
22 |
5 |
16635 |
◊ |
A |
x,y,z |
1_555 |
20 |
6 |
17476 |
189.0 |
-0.1 |
0.650 |
2 |
0 |
0 |
0.000 |
15 |
23 |
|
[MPD]B:503 |
7 |
1 |
276 |
f |
B |
x,y,z |
1_555 |
27 |
11 |
17788 |
187.7 |
-13.1 |
0.471 |
1 |
0 |
0 |
0.048 |
16 |
24 |
|
C |
21 |
6 |
17659 |
◊ |
B |
x,y,z |
1_555 |
20 |
6 |
17788 |
186.5 |
0.0 |
0.671 |
2 |
0 |
0 |
0.001 |
25 |
|
E |
19 |
5 |
17407 |
◊ |
D |
x,y,z |
1_555 |
21 |
6 |
17902 |
178.0 |
-0.1 |
0.645 |
1 |
0 |
0 |
0.001 |
Average: |
182.2 |
-0.0 |
0.658 |
2 |
0 |
0 |
0.001 |
17 |
26 |
|
[MPD]E:503 |
7 |
1 |
277 |
f |
E |
x,y,z |
1_555 |
27 |
11 |
17407 |
186.1 |
-12.8 |
0.496 |
0 |
0 |
0 |
0.047 |
18 |
27 |
|
[MPD]A:503 |
7 |
1 |
277 |
f |
A |
x,y,z |
1_555 |
30 |
11 |
17476 |
185.6 |
-13.3 |
0.473 |
0 |
0 |
0 |
0.040 |
19 |
28 |
|
[MPD]D:503 |
7 |
1 |
277 |
f |
D |
x,y,z |
1_555 |
27 |
11 |
17902 |
185.6 |
-13.1 |
0.450 |
0 |
0 |
0 |
0.051 |
20 |
29 |
|
[MPD]C:503 |
7 |
1 |
272 |
f |
C |
x,y,z |
1_555 |
27 |
11 |
17659 |
184.8 |
-12.6 |
0.507 |
0 |
0 |
0 |
0.040 |
21 |
30 |
|
[MPD]B:504 |
7 |
1 |
275 |
f |
B |
x,y,z |
1_555 |
24 |
11 |
17788 |
157.6 |
-10.8 |
0.528 |
1 |
0 |
0 |
0.040 |
22 |
31 |
|
[MPD]A:502 |
7 |
1 |
279 |
f |
A |
x,y,z |
1_555 |
23 |
10 |
17476 |
156.3 |
-10.5 |
0.602 |
2 |
0 |
0 |
0.046 |
32 |
|
[MPD]D:504 |
7 |
1 |
277 |
f |
D |
x,y,z |
1_555 |
25 |
11 |
17902 |
156.1 |
-10.4 |
0.617 |
3 |
0 |
0 |
0.046 |
Average: |
156.2 |
-10.5 |
0.609 |
3 |
0 |
0 |
0.046 |
23 |
33 |
|
[MPD]C:502 |
7 |
1 |
278 |
f |
C |
x,y,z |
1_555 |
21 |
10 |
17659 |
155.0 |
-10.3 |
0.626 |
2 |
0 |
0 |
0.035 |
24 |
34 |
|
[MPD]D:506 |
7 |
1 |
276 |
f |
D |
x,y,z |
1_555 |
22 |
11 |
17902 |
154.9 |
-10.5 |
0.532 |
1 |
0 |
0 |
0.043 |
25 |
35 |
|
[MPD]A:504 |
7 |
1 |
278 |
f |
A |
x,y,z |
1_555 |
22 |
10 |
17476 |
154.0 |
-10.6 |
0.523 |
1 |
0 |
0 |
0.033 |
26 |
36 |
|
[MPD]B:502 |
7 |
1 |
275 |
f |
B |
x,y,z |
1_555 |
23 |
10 |
17788 |
153.7 |
-10.1 |
0.615 |
2 |
0 |
0 |
0.039 |
27 |
37 |
|
[AKG]F:502 |
10 |
1 |
279 |
f |
F |
x,y,z |
1_555 |
25 |
15 |
16635 |
152.2 |
1.5 |
0.579 |
8 |
0 |
0 |
0.008 |
28 |
38 |
|
[MRD]A:508 |
7 |
1 |
275 |
f |
A |
x,y,z |
1_555 |
22 |
11 |
17476 |
151.7 |
1.3 |
0.332 |
1 |
0 |
0 |
0.000 |
29 |
39 |
|
[MRD]D:508 |
7 |
1 |
275 |
f |
D |
x,y,z |
1_555 |
22 |
12 |
17902 |
148.2 |
1.3 |
0.369 |
2 |
0 |
0 |
0.000 |
30 |
40 |
|
[MRD]C:504 |
7 |
1 |
270 |
f |
C |
x,y,z |
1_555 |
21 |
11 |
17659 |
147.7 |
2.6 |
0.409 |
1 |
0 |
0 |
0.000 |
31 |
41 |
|
D |
16 |
7 |
17902 |
◊ |
F |
-x+1,y-1/2,-z+1/2 |
3_645 |
17 |
6 |
16635 |
147.3 |
1.1 |
0.750 |
2 |
2 |
0 |
0.000 |
32 |
42 |
|
[MRD]E:505 |
7 |
1 |
276 |
f |
E |
x,y,z |
1_555 |
21 |
10 |
17407 |
147.2 |
1.2 |
0.317 |
1 |
0 |
0 |
0.000 |
43 |
|
[MRD]B:505 |
7 |
1 |
275 |
f |
B |
x,y,z |
1_555 |
21 |
11 |
17788 |
146.2 |
3.1 |
0.465 |
1 |
0 |
0 |
0.000 |
Average: |
146.7 |
2.1 |
0.391 |
1 |
0 |
0 |
0.000 |
33 |
44 |
|
[MPD]A:505 |
7 |
1 |
277 |
f |
A |
x,y,z |
1_555 |
23 |
6 |
17476 |
147.2 |
-8.2 |
0.870 |
1 |
0 |
0 |
0.026 |
34 |
45 |
|
F |
16 |
5 |
16635 |
x |
F |
-x,y-1/2,-z+1/2 |
3_545 |
13 |
4 |
16635 |
146.9 |
-1.4 |
0.328 |
1 |
1 |
0 |
0.000 |
35 |
46 |
|
[MPD]D:505 |
7 |
1 |
270 |
f |
D |
x,y,z |
1_555 |
18 |
6 |
17902 |
127.4 |
-8.5 |
0.608 |
1 |
0 |
0 |
0.035 |
36 |
47 |
|
[K]E:504 |
1 |
1 |
216 |
f |
E |
x,y,z |
1_555 |
20 |
8 |
17407 |
117.1 |
-85.9 |
0.000 |
0 |
0 |
0 |
0.639 |
48 |
|
[K]C:505 |
1 |
1 |
216 |
f |
C |
x,y,z |
1_555 |
20 |
8 |
17659 |
117.0 |
-85.4 |
0.000 |
0 |
0 |
0 |
0.639 |
49 |
|
[K]A:506 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
21 |
8 |
17476 |
116.8 |
-85.7 |
0.000 |
0 |
0 |
0 |
0.639 |
50 |
|
[K]D:507 |
1 |
1 |
216 |
f |
D |
x,y,z |
1_555 |
23 |
8 |
17902 |
116.6 |
-86.2 |
0.000 |
0 |
0 |
0 |
0.639 |
51 |
|
[K]A:507 |
1 |
1 |
216 |
f |
B |
x,y,z |
1_555 |
22 |
8 |
17788 |
116.4 |
-84.9 |
0.000 |
0 |
0 |
0 |
0.639 |
Average: |
116.8 |
-85.6 |
0.000 |
0 |
0 |
0 |
0.639 |
37 |
52 |
|
[K]E:506 |
1 |
1 |
216 |
f |
F |
x,y,z |
1_555 |
22 |
7 |
16635 |
116.4 |
-85.6 |
0.000 |
0 |
0 |
0 |
0.333 |
38 |
53 |
|
[MPD]E:501 |
6 |
1 |
280 |
f |
E |
x,y,z |
1_555 |
15 |
6 |
17407 |
102.2 |
-5.8 |
0.801 |
0 |
0 |
0 |
0.021 |
39 |
54 |
|
[EDO]F:503 |
4 |
1 |
186 |
◊ |
F |
x,y,z |
1_555 |
18 |
7 |
16635 |
96.4 |
2.2 |
0.388 |
0 |
0 |
0 |
0.000 |
40 |
55 |
|
E |
11 |
4 |
17407 |
◊ |
F |
-x,y-1/2,-z+1/2 |
3_545 |
8 |
4 |
16635 |
79.7 |
1.8 |
0.852 |
2 |
1 |
0 |
0.000 |
41 |
56 |
|
[MPD]E:501 |
5 |
1 |
280 |
◊ |
D |
x,y,z |
1_555 |
10 |
3 |
17902 |
78.9 |
-3.5 |
0.910 |
1 |
0 |
0 |
0.004 |
42 |
57 |
|
[MPD]B:502 |
5 |
1 |
275 |
◊ |
D |
x,y,z |
1_555 |
9 |
6 |
17902 |
77.4 |
-4.7 |
0.489 |
0 |
0 |
0 |
0.017 |
43 |
58 |
|
[MPD]C:502 |
5 |
1 |
278 |
◊ |
A |
x,y,z |
1_555 |
9 |
6 |
17476 |
76.2 |
-4.5 |
0.510 |
0 |
0 |
0 |
0.011 |
44 |
59 |
|
[MPD]D:504 |
5 |
1 |
277 |
◊ |
F |
x,y,z |
1_555 |
10 |
6 |
16635 |
75.3 |
-4.4 |
0.545 |
0 |
0 |
0 |
0.017 |
45 |
60 |
|
[MPD]A:502 |
5 |
1 |
279 |
◊ |
E |
x,y,z |
1_555 |
11 |
6 |
17407 |
74.0 |
-4.3 |
0.598 |
0 |
0 |
0 |
0.011 |
46 |
61 |
|
[EDO]D:501 |
4 |
1 |
184 |
◊ |
D |
x,y,z |
1_555 |
11 |
6 |
17902 |
65.3 |
1.2 |
0.769 |
1 |
0 |
0 |
0.000 |
47 |
62 |
|
D |
6 |
2 |
17902 |
◊ |
B |
x,y-1,z |
1_545 |
4 |
1 |
17788 |
62.4 |
-1.0 |
0.206 |
0 |
0 |
0 |
0.000 |
48 |
63 |
|
[EDO]D:501 |
3 |
1 |
184 |
f |
E |
x,y,z |
1_555 |
10 |
3 |
17407 |
55.3 |
2.3 |
0.318 |
1 |
0 |
0 |
0.000 |
49 |
64 |
|
[AKG]F:502 |
6 |
1 |
279 |
f |
[NAD]F:501 |
x,y,z |
1_555 |
8 |
1 |
827 |
52.3 |
0.2 |
0.550 |
0 |
0 |
0 |
0.000 |
50 |
65 |
|
[EDO]F:503 |
3 |
1 |
186 |
f |
E |
x,y,z |
1_555 |
9 |
3 |
17407 |
47.4 |
0.7 |
0.644 |
0 |
0 |
0 |
0.000 |
51 |
66 |
|
[K]A:507 |
1 |
1 |
216 |
◊ |
A |
x,y,z |
1_555 |
4 |
1 |
17476 |
44.8 |
-22.8 |
0.000 |
0 |
0 |
0 |
0.141 |
67 |
|
[K]D:507 |
1 |
1 |
216 |
◊ |
C |
x,y,z |
1_555 |
4 |
1 |
17659 |
44.0 |
-22.6 |
0.000 |
0 |
0 |
0 |
0.141 |
68 |
|
[K]C:505 |
1 |
1 |
216 |
◊ |
D |
x,y,z |
1_555 |
4 |
1 |
17902 |
43.7 |
-22.4 |
0.000 |
0 |
0 |
0 |
0.141 |
69 |
|
[K]E:506 |
1 |
1 |
216 |
◊ |
E |
x,y,z |
1_555 |
5 |
2 |
17407 |
43.5 |
-22.1 |
0.000 |
0 |
0 |
0 |
0.141 |
70 |
|
[K]A:506 |
1 |
1 |
216 |
◊ |
B |
x,y,z |
1_555 |
4 |
1 |
17788 |
42.9 |
-22.1 |
0.000 |
0 |
0 |
0 |
0.141 |
Average: |
43.8 |
-22.4 |
0.000 |
0 |
0 |
0 |
0.141 |
52 |
71 |
|
[K]E:504 |
1 |
1 |
216 |
◊ |
F |
x,y,z |
1_555 |
4 |
1 |
16635 |
43.1 |
-21.9 |
0.000 |
0 |
0 |
0 |
0.081 |
53 |
72 |
|
[EDO]D:501 |
2 |
1 |
184 |
f |
[MPD]E:501 |
x,y,z |
1_555 |
4 |
1 |
280 |
33.2 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.002 |
54 |
73 |
|
A |
7 |
3 |
17476 |
◊ |
B |
x-1/2,-y+1/2,-z+1 |
4_456 |
5 |
3 |
17788 |
31.6 |
0.1 |
0.675 |
0 |
0 |
0 |
0.000 |
55 |
74 |
|
[EDO]F:503 |
1 |
1 |
186 |
f |
[MPD]E:503 |
x,y,z |
1_555 |
3 |
1 |
277 |
19.5 |
-0.7 |
0.000 |
0 |
0 |
0 |
0.002 |
56 |
75 |
|
[MPD]C:503 |
1 |
1 |
272 |
◊ |
D |
x,y,z |
1_555 |
1 |
1 |
17902 |
7.6 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.002 |
57 |
76 |
|
[MPD]E:501 |
1 |
1 |
280 |
◊ |
F |
x,y,z |
1_555 |
1 |
1 |
16635 |
5.7 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.000 |
58 |
77 |
|
D |
1 |
1 |
17902 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
17476 |
2.7 |
-0.1 |
0.480 |
0 |
0 |
0 |
0.000 |
|