## |
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 |
232 |
63 |
17194 |
◊ |
E |
x,y,z |
1_555 |
248 |
62 |
17363 |
2336.8 |
-24.0 |
0.093 |
40 |
8 |
0 |
0.256 |
2 |
|
B |
230 |
65 |
17252 |
◊ |
A |
x,y,z |
1_555 |
250 |
60 |
17036 |
2330.6 |
-26.1 |
0.057 |
35 |
8 |
0 |
0.256 |
3 |
|
H |
250 |
64 |
17268 |
◊ |
E |
x,y,z |
1_555 |
236 |
68 |
17363 |
2312.2 |
-25.5 |
0.075 |
38 |
9 |
0 |
0.256 |
4 |
|
C |
236 |
64 |
17412 |
◊ |
B |
x,y,z |
1_555 |
243 |
60 |
17252 |
2303.1 |
-26.0 |
0.055 |
39 |
9 |
0 |
0.256 |
5 |
|
D |
244 |
61 |
17205 |
◊ |
A |
x,y,z |
1_555 |
232 |
66 |
17036 |
2276.0 |
-23.2 |
0.124 |
40 |
8 |
0 |
0.256 |
6 |
|
D |
226 |
66 |
17205 |
◊ |
C |
x,y,z |
1_555 |
232 |
58 |
17412 |
2268.2 |
-25.6 |
0.069 |
35 |
7 |
0 |
0.256 |
7 |
|
H |
229 |
65 |
17268 |
◊ |
G |
x,y,z |
1_555 |
241 |
60 |
17293 |
2260.0 |
-28.1 |
0.043 |
39 |
8 |
0 |
0.256 |
8 |
|
G |
231 |
66 |
17293 |
◊ |
F |
x,y,z |
1_555 |
239 |
60 |
17194 |
2259.1 |
-23.8 |
0.102 |
34 |
9 |
0 |
0.256 |
Average: |
2293.2 |
-25.3 |
0.077 |
38 |
8 |
0 |
0.256 |
2 |
9 |
|
A |
54 |
18 |
17036 |
◊ |
C |
-x+1,y-1/2,-z |
2_645 |
40 |
11 |
17412 |
412.1 |
4.0 |
0.893 |
8 |
5 |
0 |
0.000 |
3 |
10 |
|
[8L7]H:501 |
31 |
1 |
708 |
f |
H |
x,y,z |
1_555 |
51 |
19 |
17268 |
356.8 |
-3.0 |
0.346 |
2 |
0 |
0 |
0.034 |
11 |
|
[8L7]D:501 |
29 |
1 |
705 |
f |
D |
x,y,z |
1_555 |
46 |
18 |
17205 |
349.1 |
-2.3 |
0.385 |
4 |
0 |
0 |
0.034 |
12 |
|
[8L7]A:502 |
29 |
1 |
715 |
f |
A |
x,y,z |
1_555 |
45 |
17 |
17036 |
348.5 |
-4.1 |
0.281 |
2 |
0 |
0 |
0.034 |
13 |
|
[8L7]C:501 |
30 |
1 |
708 |
f |
C |
x,y,z |
1_555 |
43 |
17 |
17412 |
344.5 |
-2.8 |
0.359 |
5 |
0 |
0 |
0.034 |
14 |
|
[8L7]G:503 |
29 |
1 |
708 |
f |
G |
x,y,z |
1_555 |
38 |
16 |
17293 |
342.3 |
-3.4 |
0.274 |
3 |
0 |
0 |
0.034 |
15 |
|
[8L7]F:501 |
31 |
1 |
711 |
f |
F |
x,y,z |
1_555 |
45 |
17 |
17194 |
335.7 |
-5.6 |
0.263 |
4 |
0 |
0 |
0.034 |
16 |
|
[8L7]B:501 |
29 |
1 |
706 |
f |
B |
x,y,z |
1_555 |
41 |
15 |
17252 |
335.0 |
-3.7 |
0.254 |
2 |
0 |
0 |
0.034 |
17 |
|
[8L7]E:502 |
30 |
1 |
698 |
f |
E |
x,y,z |
1_555 |
44 |
17 |
17363 |
329.6 |
-5.3 |
0.293 |
4 |
0 |
0 |
0.034 |
Average: |
342.7 |
-3.8 |
0.307 |
3 |
0 |
0 |
0.034 |
4 |
18 |
|
F |
40 |
13 |
17194 |
◊ |
D |
-x,y-1/2,-z |
2_545 |
38 |
15 |
17205 |
314.7 |
3.5 |
0.845 |
2 |
0 |
0 |
0.000 |
5 |
19 |
|
[IMP]H:500 |
22 |
1 |
495 |
f |
H |
x,y,z |
1_555 |
50 |
27 |
17268 |
312.9 |
-5.8 |
0.424 |
11 |
0 |
0 |
0.063 |
20 |
|
[IMP]F:500 |
22 |
1 |
495 |
f |
F |
x,y,z |
1_555 |
53 |
27 |
17194 |
310.6 |
-5.9 |
0.416 |
10 |
0 |
0 |
0.063 |
21 |
|
[IMP]G:502 |
22 |
1 |
495 |
f |
G |
x,y,z |
1_555 |
50 |
25 |
17293 |
310.3 |
-5.9 |
0.423 |
11 |
0 |
0 |
0.063 |
22 |
|
[IMP]C:500 |
22 |
1 |
497 |
f |
C |
x,y,z |
1_555 |
49 |
25 |
17412 |
308.9 |
-5.7 |
0.395 |
10 |
0 |
0 |
0.063 |
23 |
|
[IMP]D:500 |
22 |
1 |
498 |
f |
D |
x,y,z |
1_555 |
49 |
25 |
17205 |
308.7 |
-5.8 |
0.424 |
10 |
0 |
0 |
0.063 |
24 |
|
[IMP]B:500 |
22 |
1 |
497 |
f |
B |
x,y,z |
1_555 |
48 |
26 |
17252 |
308.3 |
-5.7 |
0.394 |
11 |
0 |
0 |
0.063 |
25 |
|
[IMP]A:501 |
22 |
1 |
497 |
f |
A |
x,y,z |
1_555 |
49 |
24 |
17036 |
307.2 |
-5.8 |
0.396 |
12 |
0 |
0 |
0.063 |
26 |
|
[IMP]E:501 |
22 |
1 |
494 |
f |
E |
x,y,z |
1_555 |
48 |
25 |
17363 |
304.3 |
-5.8 |
0.409 |
10 |
0 |
0 |
0.063 |
Average: |
308.9 |
-5.8 |
0.410 |
11 |
0 |
0 |
0.063 |
6 |
27 |
|
E |
28 |
6 |
17363 |
◊ |
A |
x,y,z |
1_555 |
37 |
11 |
17036 |
270.3 |
0.9 |
0.752 |
5 |
0 |
0 |
0.000 |
28 |
|
H |
28 |
9 |
17268 |
◊ |
B |
x,y,z |
1_555 |
23 |
6 |
17252 |
240.8 |
-0.7 |
0.520 |
2 |
0 |
0 |
0.000 |
Average: |
255.6 |
0.1 |
0.636 |
4 |
0 |
0 |
0.000 |
7 |
29 |
|
[8L7]A:502 |
16 |
1 |
715 |
◊ |
D |
x,y,z |
1_555 |
24 |
8 |
17205 |
159.5 |
-4.9 |
0.333 |
0 |
0 |
0 |
0.031 |
30 |
|
[8L7]E:502 |
12 |
1 |
698 |
◊ |
H |
x,y,z |
1_555 |
22 |
7 |
17268 |
156.3 |
-4.8 |
0.315 |
0 |
0 |
0 |
0.031 |
31 |
|
[8L7]C:501 |
15 |
1 |
708 |
◊ |
B |
x,y,z |
1_555 |
22 |
7 |
17252 |
156.0 |
-5.0 |
0.341 |
1 |
0 |
0 |
0.031 |
32 |
|
[8L7]F:501 |
14 |
1 |
711 |
◊ |
E |
x,y,z |
1_555 |
24 |
7 |
17363 |
153.3 |
-4.6 |
0.348 |
0 |
0 |
0 |
0.031 |
33 |
|
[8L7]G:503 |
15 |
1 |
708 |
◊ |
F |
x,y,z |
1_555 |
24 |
7 |
17194 |
153.0 |
-4.9 |
0.339 |
0 |
0 |
0 |
0.031 |
34 |
|
[8L7]D:501 |
15 |
1 |
705 |
◊ |
C |
x,y,z |
1_555 |
23 |
7 |
17412 |
152.2 |
-5.7 |
0.301 |
0 |
0 |
0 |
0.031 |
35 |
|
[8L7]H:501 |
14 |
1 |
708 |
◊ |
G |
x,y,z |
1_555 |
25 |
7 |
17293 |
151.0 |
-5.1 |
0.322 |
0 |
0 |
0 |
0.031 |
36 |
|
[8L7]B:501 |
16 |
1 |
706 |
◊ |
A |
x,y,z |
1_555 |
25 |
7 |
17036 |
150.4 |
-4.8 |
0.361 |
0 |
0 |
0 |
0.031 |
Average: |
154.0 |
-5.0 |
0.332 |
0 |
0 |
0 |
0.031 |
8 |
37 |
|
E |
22 |
8 |
17363 |
◊ |
B |
x,y,z |
1_555 |
19 |
7 |
17252 |
159.0 |
-0.6 |
0.559 |
0 |
0 |
0 |
0.000 |
9 |
38 |
|
F |
12 |
3 |
17194 |
◊ |
A |
x,y,z |
1_555 |
16 |
4 |
17036 |
133.8 |
0.3 |
0.676 |
2 |
0 |
0 |
0.000 |
39 |
|
H |
15 |
4 |
17268 |
◊ |
C |
x,y,z |
1_555 |
13 |
3 |
17412 |
131.9 |
0.5 |
0.696 |
3 |
0 |
0 |
0.000 |
Average: |
132.8 |
0.4 |
0.686 |
3 |
0 |
0 |
0.000 |
10 |
40 |
|
A |
12 |
2 |
17036 |
◊ |
B |
-x+1,y-1/2,-z |
2_645 |
17 |
3 |
17252 |
117.4 |
-1.6 |
0.340 |
0 |
0 |
0 |
0.000 |
11 |
41 |
|
H |
9 |
4 |
17268 |
◊ |
C |
-x+1,y-1/2,-z-1 |
2_644 |
13 |
6 |
17412 |
108.3 |
2.7 |
0.886 |
4 |
4 |
0 |
0.000 |
12 |
42 |
|
G |
13 |
6 |
17293 |
◊ |
E |
x-1,y,z |
1_455 |
13 |
6 |
17363 |
97.3 |
0.1 |
0.645 |
1 |
0 |
0 |
0.000 |
13 |
43 |
|
[K]A:503 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
16 |
8 |
17036 |
89.9 |
-61.1 |
0.000 |
0 |
0 |
0 |
0.363 |
44 |
|
[K]B:502 |
1 |
1 |
216 |
f |
C |
x,y,z |
1_555 |
16 |
8 |
17412 |
89.0 |
-61.1 |
0.000 |
0 |
0 |
0 |
0.363 |
45 |
|
[K]D:502 |
1 |
1 |
216 |
f |
D |
x,y,z |
1_555 |
16 |
8 |
17205 |
88.8 |
-60.5 |
0.000 |
0 |
0 |
0 |
0.363 |
46 |
|
[K]A:504 |
1 |
1 |
216 |
f |
B |
x,y,z |
1_555 |
15 |
8 |
17252 |
88.6 |
-61.7 |
0.000 |
0 |
0 |
0 |
0.363 |
47 |
|
[K]G:501 |
1 |
1 |
216 |
f |
H |
x,y,z |
1_555 |
16 |
8 |
17268 |
88.2 |
-59.9 |
0.000 |
0 |
0 |
0 |
0.363 |
48 |
|
[K]E:504 |
1 |
1 |
216 |
f |
F |
x,y,z |
1_555 |
16 |
8 |
17194 |
88.1 |
-60.3 |
0.000 |
0 |
0 |
0 |
0.363 |
49 |
|
[K]F:502 |
1 |
1 |
216 |
f |
G |
x,y,z |
1_555 |
15 |
8 |
17293 |
87.0 |
-60.3 |
0.000 |
0 |
0 |
0 |
0.363 |
50 |
|
[K]E:503 |
1 |
1 |
216 |
f |
E |
x,y,z |
1_555 |
18 |
8 |
17363 |
87.0 |
-61.4 |
0.000 |
0 |
0 |
0 |
0.363 |
Average: |
88.3 |
-60.8 |
0.000 |
0 |
0 |
0 |
0.363 |
14 |
51 |
|
[K]G:501 |
1 |
1 |
216 |
◊ |
G |
x,y,z |
1_555 |
13 |
5 |
17293 |
76.2 |
-47.3 |
0.000 |
0 |
0 |
0 |
0.274 |
52 |
|
[K]F:502 |
1 |
1 |
216 |
◊ |
F |
x,y,z |
1_555 |
13 |
5 |
17194 |
75.5 |
-47.1 |
0.000 |
0 |
0 |
0 |
0.274 |
53 |
|
[K]D:502 |
1 |
1 |
216 |
◊ |
C |
x,y,z |
1_555 |
14 |
5 |
17412 |
75.3 |
-46.5 |
0.000 |
0 |
0 |
0 |
0.274 |
54 |
|
[K]E:504 |
1 |
1 |
216 |
◊ |
E |
x,y,z |
1_555 |
13 |
5 |
17363 |
75.1 |
-47.4 |
0.000 |
0 |
0 |
0 |
0.274 |
55 |
|
[K]B:502 |
1 |
1 |
216 |
◊ |
B |
x,y,z |
1_555 |
11 |
5 |
17252 |
74.6 |
-46.0 |
0.000 |
0 |
0 |
0 |
0.274 |
56 |
|
[K]A:503 |
1 |
1 |
216 |
◊ |
D |
x,y,z |
1_555 |
11 |
5 |
17205 |
73.6 |
-45.4 |
0.000 |
0 |
0 |
0 |
0.274 |
57 |
|
[K]E:503 |
1 |
1 |
216 |
◊ |
H |
x,y,z |
1_555 |
11 |
5 |
17268 |
73.1 |
-44.4 |
0.000 |
0 |
0 |
0 |
0.274 |
58 |
|
[K]A:504 |
1 |
1 |
216 |
◊ |
A |
x,y,z |
1_555 |
12 |
5 |
17036 |
72.5 |
-45.0 |
0.000 |
0 |
0 |
0 |
0.274 |
Average: |
74.5 |
-46.1 |
0.000 |
0 |
0 |
0 |
0.274 |
15 |
59 |
|
[8L7]B:501 |
7 |
1 |
706 |
f |
[IMP]B:500 |
x,y,z |
1_555 |
13 |
1 |
497 |
62.5 |
3.6 |
0.828 |
0 |
0 |
0 |
0.000 |
60 |
|
[8L7]C:501 |
7 |
1 |
708 |
f |
[IMP]C:500 |
x,y,z |
1_555 |
13 |
1 |
497 |
61.8 |
3.5 |
0.806 |
0 |
0 |
0 |
0.000 |
61 |
|
[8L7]G:503 |
7 |
1 |
708 |
f |
[IMP]G:502 |
x,y,z |
1_555 |
12 |
1 |
495 |
60.8 |
3.6 |
0.815 |
0 |
0 |
0 |
0.000 |
62 |
|
[8L7]A:502 |
7 |
1 |
715 |
f |
[IMP]A:501 |
x,y,z |
1_555 |
12 |
1 |
497 |
60.5 |
3.5 |
0.812 |
0 |
0 |
0 |
0.000 |
63 |
|
[8L7]E:502 |
7 |
1 |
698 |
f |
[IMP]E:501 |
x,y,z |
1_555 |
11 |
1 |
494 |
60.5 |
3.5 |
0.808 |
0 |
0 |
0 |
0.000 |
64 |
|
[8L7]F:501 |
7 |
1 |
711 |
f |
[IMP]F:500 |
x,y,z |
1_555 |
11 |
1 |
495 |
59.8 |
3.5 |
0.808 |
0 |
0 |
0 |
0.000 |
65 |
|
[8L7]D:501 |
7 |
1 |
705 |
f |
[IMP]D:500 |
x,y,z |
1_555 |
13 |
1 |
498 |
59.5 |
3.4 |
0.811 |
0 |
0 |
0 |
0.000 |
66 |
|
[8L7]H:501 |
7 |
1 |
708 |
f |
[IMP]H:500 |
x,y,z |
1_555 |
12 |
1 |
495 |
59.1 |
3.4 |
0.809 |
0 |
0 |
0 |
0.000 |
Average: |
60.6 |
3.5 |
0.812 |
0 |
0 |
0 |
0.000 |
16 |
67 |
|
G |
10 |
6 |
17293 |
◊ |
B |
x-1,y,z |
1_455 |
11 |
5 |
17252 |
53.9 |
1.7 |
0.854 |
0 |
0 |
0 |
0.000 |
17 |
68 |
|
G |
5 |
2 |
17293 |
◊ |
D |
x,y,z |
1_555 |
8 |
3 |
17205 |
52.7 |
-0.8 |
0.396 |
0 |
0 |
0 |
0.000 |
18 |
69 |
|
E |
6 |
3 |
17363 |
◊ |
H |
-x+1,y-1/2,-z-1 |
2_644 |
6 |
2 |
17268 |
46.5 |
1.0 |
0.824 |
1 |
0 |
0 |
0.000 |
19 |
70 |
|
E |
3 |
1 |
17363 |
◊ |
C |
-x+1,y-1/2,-z-1 |
2_644 |
5 |
1 |
17412 |
29.8 |
0.6 |
0.771 |
0 |
0 |
0 |
0.000 |
20 |
71 |
|
A |
3 |
2 |
17036 |
◊ |
D |
-x,y-1/2,-z |
2_545 |
3 |
2 |
17205 |
25.5 |
0.4 |
0.769 |
0 |
0 |
0 |
0.000 |
21 |
72 |
|
[IMP]A:501 |
2 |
1 |
497 |
◊ |
D |
x,y,z |
1_555 |
3 |
2 |
17205 |
14.2 |
-0.9 |
0.411 |
0 |
0 |
0 |
0.005 |
73 |
|
[IMP]F:500 |
2 |
1 |
495 |
◊ |
E |
x,y,z |
1_555 |
3 |
2 |
17363 |
12.4 |
-0.8 |
0.422 |
0 |
0 |
0 |
0.005 |
74 |
|
[IMP]B:500 |
1 |
1 |
497 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
17036 |
11.9 |
-0.9 |
0.203 |
0 |
0 |
0 |
0.005 |
75 |
|
[IMP]C:500 |
1 |
1 |
497 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
17252 |
11.3 |
-0.8 |
0.279 |
0 |
0 |
0 |
0.005 |
76 |
|
[IMP]D:500 |
1 |
1 |
498 |
◊ |
C |
x,y,z |
1_555 |
2 |
1 |
17412 |
11.0 |
-0.7 |
0.292 |
0 |
0 |
0 |
0.005 |
77 |
|
[IMP]G:502 |
2 |
1 |
495 |
◊ |
F |
x,y,z |
1_555 |
2 |
2 |
17194 |
10.1 |
-0.7 |
0.364 |
0 |
0 |
0 |
0.005 |
78 |
|
[IMP]H:500 |
2 |
1 |
495 |
◊ |
G |
x,y,z |
1_555 |
2 |
2 |
17293 |
9.7 |
-0.7 |
0.369 |
0 |
0 |
0 |
0.005 |
Average: |
11.5 |
-0.8 |
0.334 |
0 |
0 |
0 |
0.005 |
22 |
79 |
|
F |
1 |
1 |
17194 |
◊ |
G |
-x,y-1/2,-z-1 |
2_544 |
1 |
1 |
17293 |
13.0 |
-0.4 |
0.189 |
0 |
0 |
0 |
0.000 |
23 |
80 |
|
H |
2 |
1 |
17268 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
17036 |
12.0 |
0.5 |
0.840 |
0 |
0 |
0 |
0.000 |
24 |
81 |
|
F |
2 |
1 |
17194 |
◊ |
H |
-x,y-1/2,-z-1 |
2_544 |
1 |
1 |
17268 |
11.8 |
-0.1 |
0.540 |
0 |
0 |
0 |
0.000 |
25 |
82 |
|
[IMP]E:501 |
1 |
1 |
494 |
◊ |
H |
x,y,z |
1_555 |
1 |
1 |
17268 |
11.3 |
-0.8 |
0.215 |
0 |
0 |
0 |
0.001 |
26 |
83 |
|
D |
2 |
1 |
17205 |
◊ |
B |
x-1,y,z |
1_455 |
1 |
1 |
17252 |
8.3 |
0.2 |
0.612 |
0 |
0 |
0 |
0.000 |
27 |
84 |
|
G |
1 |
1 |
17293 |
◊ |
C |
-x,y-1/2,-z-1 |
2_544 |
1 |
1 |
17412 |
6.4 |
0.3 |
0.861 |
0 |
0 |
0 |
0.000 |
28 |
85 |
|
[K]E:503 |
1 |
1 |
216 |
f |
[IMP]E:501 |
x,y,z |
1_555 |
2 |
1 |
494 |
4.0 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.006 |
86 |
|
[K]F:502 |
1 |
1 |
216 |
f |
[IMP]G:502 |
x,y,z |
1_555 |
1 |
1 |
495 |
2.9 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.006 |
87 |
|
[K]A:503 |
1 |
1 |
216 |
f |
[IMP]A:501 |
x,y,z |
1_555 |
1 |
1 |
497 |
2.8 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.006 |
88 |
|
[K]A:504 |
1 |
1 |
216 |
f |
[IMP]B:500 |
x,y,z |
1_555 |
1 |
1 |
497 |
2.3 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.006 |
89 |
|
[K]D:502 |
1 |
1 |
216 |
f |
[IMP]D:500 |
x,y,z |
1_555 |
1 |
1 |
498 |
2.0 |
-0.7 |
0.000 |
0 |
0 |
0 |
0.006 |
90 |
|
[K]B:502 |
1 |
1 |
216 |
f |
[IMP]C:500 |
x,y,z |
1_555 |
1 |
1 |
497 |
1.3 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.006 |
91 |
|
[K]G:501 |
1 |
1 |
216 |
f |
[IMP]H:500 |
x,y,z |
1_555 |
1 |
1 |
495 |
1.2 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.006 |
92 |
|
[K]E:504 |
1 |
1 |
216 |
f |
[IMP]F:500 |
x,y,z |
1_555 |
1 |
1 |
495 |
0.7 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.006 |
Average: |
2.1 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.006 |
|