## |
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 |
|
B |
234 |
63 |
14243 |
◊ |
A |
x,y,z |
1_555 |
234 |
65 |
14254 |
2272.1 |
-20.3 |
0.090 |
31 |
8 |
0 |
0.365 |
2 |
|
F |
229 |
64 |
14271 |
◊ |
E |
x,y,z |
1_555 |
235 |
65 |
14440 |
2260.2 |
-20.5 |
0.082 |
29 |
9 |
0 |
0.365 |
3 |
|
D |
238 |
64 |
14580 |
◊ |
C |
x,y,z |
1_555 |
235 |
66 |
14303 |
2238.6 |
-21.6 |
0.056 |
30 |
7 |
0 |
0.365 |
Average: |
2257.0 |
-20.8 |
0.076 |
30 |
8 |
0 |
0.365 |
2 |
4 |
|
D |
80 |
26 |
14580 |
◊ |
E |
-x-1/2,-y+1,z-1/2 |
2_464 |
79 |
25 |
14440 |
662.6 |
-3.5 |
0.414 |
5 |
0 |
0 |
0.000 |
5 |
|
A |
78 |
22 |
14254 |
◊ |
F |
-x+1/2,-y,z-1/2 |
2_554 |
82 |
26 |
14271 |
633.0 |
-4.5 |
0.390 |
4 |
0 |
0 |
0.000 |
6 |
|
C |
73 |
22 |
14303 |
◊ |
B |
x,y,z |
1_555 |
76 |
23 |
14243 |
613.8 |
-4.7 |
0.328 |
4 |
0 |
0 |
0.000 |
Average: |
636.4 |
-4.2 |
0.378 |
4 |
0 |
0 |
0.000 |
3 |
7 |
|
[GTP]E:400 |
32 |
1 |
649 |
f |
E |
x,y,z |
1_555 |
77 |
24 |
14440 |
420.0 |
-4.7 |
0.422 |
15 |
0 |
0 |
0.248 |
8 |
|
[GTP]C:400 |
32 |
1 |
650 |
f |
C |
x,y,z |
1_555 |
70 |
24 |
14303 |
417.5 |
-4.7 |
0.408 |
16 |
0 |
0 |
0.248 |
9 |
|
[GTP]A:400 |
32 |
1 |
647 |
f |
A |
x,y,z |
1_555 |
70 |
24 |
14254 |
415.8 |
-4.5 |
0.434 |
15 |
0 |
0 |
0.248 |
10 |
|
[GTP]B:400 |
31 |
1 |
648 |
f |
B |
x,y,z |
1_555 |
68 |
24 |
14243 |
414.9 |
-4.8 |
0.417 |
16 |
0 |
0 |
0.248 |
11 |
|
[GTP]F:400 |
32 |
1 |
648 |
f |
F |
x,y,z |
1_555 |
71 |
25 |
14271 |
414.2 |
-5.2 |
0.392 |
16 |
0 |
0 |
0.248 |
12 |
|
[GTP]D:400 |
31 |
1 |
651 |
f |
D |
x,y,z |
1_555 |
71 |
25 |
14580 |
413.0 |
-5.0 |
0.382 |
17 |
0 |
0 |
0.248 |
Average: |
415.9 |
-4.8 |
0.409 |
16 |
0 |
0 |
0.248 |
4 |
13 |
|
[IMP]D:401 |
23 |
1 |
468 |
f |
D |
x,y,z |
1_555 |
63 |
27 |
14580 |
293.9 |
-3.7 |
0.409 |
8 |
0 |
0 |
0.160 |
14 |
|
[IMP]B:401 |
23 |
1 |
468 |
f |
B |
x,y,z |
1_555 |
55 |
25 |
14243 |
290.8 |
-4.4 |
0.334 |
8 |
0 |
0 |
0.160 |
15 |
|
[IMP]A:401 |
23 |
1 |
466 |
f |
A |
x,y,z |
1_555 |
56 |
25 |
14254 |
290.1 |
-4.3 |
0.344 |
6 |
0 |
0 |
0.160 |
16 |
|
[IMP]C:401 |
23 |
1 |
467 |
f |
C |
x,y,z |
1_555 |
57 |
25 |
14303 |
288.6 |
-4.3 |
0.330 |
8 |
0 |
0 |
0.160 |
17 |
|
[IMP]E:401 |
23 |
1 |
466 |
f |
E |
x,y,z |
1_555 |
59 |
25 |
14440 |
286.7 |
-4.1 |
0.355 |
8 |
0 |
0 |
0.160 |
18 |
|
[IMP]F:401 |
23 |
1 |
465 |
f |
F |
x,y,z |
1_555 |
55 |
25 |
14271 |
282.2 |
-4.2 |
0.340 |
9 |
0 |
0 |
0.160 |
Average: |
288.7 |
-4.2 |
0.352 |
8 |
0 |
0 |
0.160 |
5 |
19 |
|
C |
40 |
11 |
14303 |
◊ |
A |
x-1,y,z |
1_455 |
31 |
8 |
14254 |
290.1 |
0.4 |
0.684 |
3 |
7 |
0 |
0.000 |
6 |
20 |
|
C |
31 |
12 |
14303 |
◊ |
F |
-x-1/2,-y,z-1/2 |
2_454 |
35 |
8 |
14271 |
281.7 |
2.7 |
0.853 |
4 |
4 |
0 |
0.000 |
7 |
21 |
|
D |
36 |
11 |
14580 |
◊ |
A |
x-1/2,-y+1/2,-z-1 |
4_454 |
32 |
8 |
14254 |
275.6 |
-1.4 |
0.466 |
2 |
0 |
0 |
0.000 |
8 |
22 |
|
C |
31 |
10 |
14303 |
◊ |
F |
x-1/2,-y+1/2,-z |
4_455 |
24 |
8 |
14271 |
210.1 |
-1.5 |
0.433 |
3 |
0 |
0 |
0.000 |
9 |
23 |
|
A |
20 |
6 |
14254 |
◊ |
C |
-x,y-1/2,-z-1/2 |
3_544 |
20 |
5 |
14303 |
182.3 |
-1.7 |
0.354 |
0 |
0 |
0 |
0.000 |
10 |
24 |
|
E |
16 |
6 |
14440 |
◊ |
B |
x,y,z |
1_555 |
15 |
7 |
14243 |
164.0 |
-0.2 |
0.580 |
1 |
1 |
0 |
0.000 |
11 |
25 |
|
D |
16 |
5 |
14580 |
◊ |
B |
x-1/2,-y+1/2,-z-1 |
4_454 |
24 |
8 |
14243 |
151.1 |
0.8 |
0.580 |
1 |
0 |
0 |
0.000 |
12 |
26 |
|
A |
23 |
9 |
14254 |
◊ |
D |
-x,y-1/2,-z-1/2 |
3_544 |
11 |
6 |
14580 |
134.3 |
3.5 |
0.913 |
3 |
3 |
0 |
0.000 |
13 |
27 |
|
C |
16 |
6 |
14303 |
◊ |
E |
x-1/2,-y+1/2,-z |
4_455 |
13 |
7 |
14440 |
115.4 |
1.3 |
0.782 |
0 |
1 |
0 |
0.000 |
14 |
28 |
|
[HDA]A:402 |
8 |
1 |
244 |
f |
A |
x,y,z |
1_555 |
24 |
12 |
14254 |
114.6 |
0.0 |
0.581 |
7 |
0 |
0 |
0.066 |
29 |
|
[HDA]F:402 |
8 |
1 |
244 |
f |
F |
x,y,z |
1_555 |
23 |
12 |
14271 |
113.3 |
0.1 |
0.576 |
8 |
0 |
0 |
0.066 |
30 |
|
[HDA]C:402 |
8 |
1 |
246 |
cf |
C |
x,y,z |
1_555 |
24 |
12 |
14303 |
112.2 |
0.1 |
0.582 |
8 |
0 |
0 |
0.066 |
31 |
|
[HDA]E:402 |
8 |
1 |
245 |
f |
E |
x,y,z |
1_555 |
22 |
11 |
14440 |
112.0 |
0.0 |
0.568 |
7 |
0 |
0 |
0.066 |
32 |
|
[HDA]B:402 |
8 |
1 |
243 |
cf |
B |
x,y,z |
1_555 |
22 |
12 |
14243 |
111.5 |
0.1 |
0.586 |
7 |
0 |
0 |
0.066 |
Average: |
112.7 |
0.1 |
0.578 |
7 |
0 |
0 |
0.066 |
15 |
33 |
|
F |
13 |
7 |
14271 |
◊ |
D |
-x,y-1/2,-z-1/2 |
3_544 |
23 |
10 |
14580 |
110.8 |
1.2 |
0.750 |
1 |
0 |
0 |
0.000 |
16 |
34 |
|
[HDA]D:402 |
7 |
1 |
245 |
cf |
D |
x,y,z |
1_555 |
23 |
12 |
14580 |
109.8 |
0.1 |
0.589 |
4 |
0 |
0 |
0.017 |
17 |
35 |
|
E |
8 |
2 |
14440 |
◊ |
F |
x-1/2,-y+1/2,-z |
4_455 |
10 |
3 |
14271 |
72.0 |
-0.2 |
0.587 |
1 |
0 |
0 |
0.000 |
18 |
36 |
|
[HDA]F:402 |
5 |
1 |
244 |
f |
[IMP]F:401 |
x,y,z |
1_555 |
11 |
1 |
465 |
43.7 |
0.2 |
0.414 |
0 |
0 |
0 |
0.000 |
37 |
|
[HDA]C:402 |
5 |
1 |
246 |
f |
[IMP]C:401 |
x,y,z |
1_555 |
11 |
1 |
467 |
39.3 |
0.4 |
0.473 |
0 |
0 |
0 |
0.000 |
38 |
|
[HDA]E:402 |
5 |
1 |
245 |
f |
[IMP]E:401 |
x,y,z |
1_555 |
11 |
1 |
466 |
38.5 |
0.4 |
0.480 |
0 |
0 |
0 |
0.000 |
39 |
|
[HDA]B:402 |
5 |
1 |
243 |
f |
[IMP]B:401 |
x,y,z |
1_555 |
11 |
1 |
468 |
37.4 |
0.4 |
0.517 |
0 |
0 |
0 |
0.000 |
40 |
|
[HDA]A:402 |
5 |
1 |
244 |
f |
[IMP]A:401 |
x,y,z |
1_555 |
11 |
1 |
466 |
36.7 |
0.4 |
0.507 |
0 |
0 |
0 |
0.000 |
Average: |
39.1 |
0.4 |
0.478 |
0 |
0 |
0 |
0.000 |
19 |
41 |
|
B |
4 |
1 |
14243 |
◊ |
E |
x-1/2,-y+1/2,-z |
4_455 |
7 |
3 |
14440 |
38.8 |
0.3 |
0.728 |
1 |
0 |
0 |
0.000 |
20 |
42 |
|
[HDA]D:402 |
5 |
1 |
245 |
f |
[IMP]D:401 |
x,y,z |
1_555 |
11 |
1 |
468 |
38.8 |
0.6 |
0.525 |
0 |
0 |
0 |
0.000 |
21 |
43 |
|
[IMP]A:401 |
3 |
1 |
466 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
14243 |
36.0 |
0.2 |
0.620 |
2 |
0 |
0 |
0.015 |
44 |
|
[IMP]C:401 |
3 |
1 |
467 |
◊ |
D |
x,y,z |
1_555 |
3 |
1 |
14580 |
35.2 |
0.0 |
0.586 |
1 |
0 |
0 |
0.015 |
45 |
|
[IMP]E:401 |
3 |
1 |
466 |
◊ |
F |
x,y,z |
1_555 |
2 |
1 |
14271 |
34.7 |
0.0 |
0.607 |
1 |
0 |
0 |
0.015 |
46 |
|
[IMP]F:401 |
3 |
1 |
465 |
◊ |
E |
x,y,z |
1_555 |
3 |
1 |
14440 |
34.1 |
0.1 |
0.591 |
1 |
0 |
0 |
0.015 |
47 |
|
[IMP]B:401 |
5 |
1 |
468 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
14254 |
33.9 |
0.2 |
0.657 |
2 |
0 |
0 |
0.015 |
48 |
|
[IMP]D:401 |
5 |
1 |
468 |
◊ |
C |
x,y,z |
1_555 |
2 |
1 |
14303 |
32.6 |
0.1 |
0.652 |
1 |
0 |
0 |
0.015 |
Average: |
34.4 |
0.1 |
0.619 |
1 |
0 |
0 |
0.015 |
22 |
49 |
|
[IMP]D:401 |
3 |
1 |
468 |
f |
[GTP]D:400 |
x,y,z |
1_555 |
3 |
1 |
651 |
32.0 |
0.7 |
0.599 |
0 |
0 |
0 |
0.000 |
50 |
|
[IMP]B:401 |
3 |
1 |
468 |
f |
[GTP]B:400 |
x,y,z |
1_555 |
4 |
1 |
648 |
31.7 |
0.7 |
0.594 |
0 |
0 |
0 |
0.000 |
51 |
|
[IMP]E:401 |
3 |
1 |
466 |
f |
[GTP]E:400 |
x,y,z |
1_555 |
4 |
1 |
649 |
31.3 |
0.7 |
0.600 |
0 |
0 |
0 |
0.000 |
52 |
|
[IMP]C:401 |
3 |
1 |
467 |
f |
[GTP]C:400 |
x,y,z |
1_555 |
4 |
1 |
650 |
31.0 |
0.6 |
0.589 |
0 |
0 |
0 |
0.000 |
53 |
|
[IMP]A:401 |
3 |
1 |
466 |
f |
[GTP]A:400 |
x,y,z |
1_555 |
4 |
1 |
647 |
30.8 |
0.6 |
0.589 |
0 |
0 |
0 |
0.000 |
54 |
|
[IMP]F:401 |
3 |
1 |
465 |
f |
[GTP]F:400 |
x,y,z |
1_555 |
4 |
1 |
648 |
30.0 |
0.6 |
0.582 |
0 |
0 |
0 |
0.000 |
Average: |
31.1 |
0.6 |
0.592 |
0 |
0 |
0 |
0.000 |
23 |
55 |
|
[MG]F:403 |
1 |
1 |
98 |
f |
F |
x,y,z |
1_555 |
11 |
6 |
14271 |
28.4 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.083 |
56 |
|
[MG]B:403 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
10 |
5 |
14243 |
27.9 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.083 |
57 |
|
[MG]E:403 |
1 |
1 |
98 |
f |
E |
x,y,z |
1_555 |
10 |
5 |
14440 |
27.8 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.083 |
58 |
|
[MG]C:403 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
9 |
5 |
14303 |
27.7 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.083 |
59 |
|
[MG]D:403 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
9 |
5 |
14580 |
27.7 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.083 |
60 |
|
[MG]A:403 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
9 |
5 |
14254 |
27.6 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.083 |
Average: |
27.8 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.083 |
24 |
61 |
|
[MG]F:403 |
1 |
1 |
98 |
f |
[GTP]F:400 |
x,y,z |
1_555 |
7 |
1 |
648 |
28.4 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.069 |
62 |
|
[MG]B:403 |
1 |
1 |
98 |
f |
[GTP]B:400 |
x,y,z |
1_555 |
8 |
1 |
648 |
28.3 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.069 |
63 |
|
[MG]E:403 |
1 |
1 |
98 |
f |
[GTP]E:400 |
x,y,z |
1_555 |
7 |
1 |
649 |
28.3 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.069 |
64 |
|
[MG]C:403 |
1 |
1 |
98 |
f |
[GTP]C:400 |
x,y,z |
1_555 |
7 |
1 |
650 |
27.8 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.069 |
65 |
|
[MG]A:403 |
1 |
1 |
98 |
f |
[GTP]A:400 |
x,y,z |
1_555 |
8 |
1 |
647 |
27.7 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.069 |
66 |
|
[MG]D:403 |
1 |
1 |
98 |
f |
[GTP]D:400 |
x,y,z |
1_555 |
7 |
1 |
651 |
27.7 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.069 |
Average: |
28.0 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.069 |
25 |
67 |
|
F |
2 |
1 |
14271 |
◊ |
C |
-x,y-1/2,-z-1/2 |
3_544 |
2 |
1 |
14303 |
26.4 |
0.1 |
0.342 |
0 |
0 |
0 |
0.000 |
26 |
68 |
|
D |
5 |
2 |
14580 |
◊ |
F |
x-1/2,-y+1/2,-z |
4_455 |
4 |
1 |
14271 |
24.4 |
0.1 |
0.651 |
0 |
0 |
0 |
0.000 |
27 |
69 |
|
[HDA]C:402 |
3 |
1 |
246 |
f |
[GTP]C:400 |
x,y,z |
1_555 |
5 |
1 |
650 |
23.6 |
-0.0 |
0.519 |
0 |
0 |
0 |
0.000 |
70 |
|
[HDA]E:402 |
3 |
1 |
245 |
f |
[GTP]E:400 |
x,y,z |
1_555 |
4 |
1 |
649 |
23.4 |
-0.0 |
0.526 |
0 |
0 |
0 |
0.000 |
71 |
|
[HDA]B:402 |
3 |
1 |
243 |
f |
[GTP]B:400 |
x,y,z |
1_555 |
4 |
1 |
648 |
21.4 |
-0.0 |
0.537 |
0 |
0 |
0 |
0.000 |
72 |
|
[HDA]A:402 |
3 |
1 |
244 |
f |
[GTP]A:400 |
x,y,z |
1_555 |
4 |
1 |
647 |
20.8 |
0.0 |
0.538 |
0 |
0 |
0 |
0.000 |
Average: |
22.3 |
-0.0 |
0.530 |
0 |
0 |
0 |
0.000 |
28 |
73 |
|
[HDA]D:402 |
2 |
1 |
245 |
f |
[GTP]D:400 |
x,y,z |
1_555 |
7 |
1 |
651 |
23.5 |
0.0 |
0.594 |
0 |
0 |
0 |
0.000 |
29 |
74 |
|
[HDA]F:402 |
3 |
1 |
244 |
f |
[GTP]F:400 |
x,y,z |
1_555 |
4 |
1 |
648 |
22.2 |
0.0 |
0.495 |
0 |
0 |
0 |
0.000 |
30 |
75 |
|
[MG]D:403 |
1 |
1 |
98 |
f |
[HDA]D:402 |
x,y,z |
1_555 |
2 |
1 |
245 |
18.6 |
-1.3 |
0.000 |
0 |
0 |
0 |
0.025 |
76 |
|
[MG]C:403 |
1 |
1 |
98 |
f |
[HDA]C:402 |
x,y,z |
1_555 |
2 |
1 |
246 |
17.8 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.025 |
77 |
|
[MG]E:403 |
1 |
1 |
98 |
f |
[HDA]E:402 |
x,y,z |
1_555 |
2 |
1 |
245 |
17.5 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.025 |
78 |
|
[MG]A:403 |
1 |
1 |
98 |
f |
[HDA]A:402 |
x,y,z |
1_555 |
2 |
1 |
244 |
17.1 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.025 |
79 |
|
[MG]F:403 |
1 |
1 |
98 |
f |
[HDA]F:402 |
x,y,z |
1_555 |
3 |
1 |
244 |
17.1 |
-1.3 |
0.000 |
0 |
0 |
0 |
0.025 |
80 |
|
[MG]B:403 |
1 |
1 |
98 |
f |
[HDA]B:402 |
x,y,z |
1_555 |
2 |
1 |
243 |
16.9 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.025 |
Average: |
17.5 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.025 |
31 |
81 |
|
[MG]B:403 |
1 |
1 |
98 |
f |
[IMP]B:401 |
x,y,z |
1_555 |
3 |
1 |
468 |
13.7 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.021 |
82 |
|
[MG]D:403 |
1 |
1 |
98 |
f |
[IMP]D:401 |
x,y,z |
1_555 |
3 |
1 |
468 |
13.7 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.021 |
83 |
|
[MG]F:403 |
1 |
1 |
98 |
f |
[IMP]F:401 |
x,y,z |
1_555 |
3 |
1 |
465 |
13.5 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.021 |
84 |
|
[MG]C:403 |
1 |
1 |
98 |
f |
[IMP]C:401 |
x,y,z |
1_555 |
3 |
1 |
467 |
13.2 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.021 |
85 |
|
[MG]A:403 |
1 |
1 |
98 |
f |
[IMP]A:401 |
x,y,z |
1_555 |
3 |
1 |
466 |
13.1 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.021 |
86 |
|
[MG]E:403 |
1 |
1 |
98 |
f |
[IMP]E:401 |
x,y,z |
1_555 |
3 |
1 |
466 |
13.1 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.021 |
Average: |
13.4 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.021 |
32 |
87 |
|
E |
1 |
1 |
14440 |
◊ |
A |
x-1/2,-y+1/2,-z |
4_455 |
2 |
1 |
14254 |
1.7 |
-0.0 |
0.659 |
0 |
0 |
0 |
0.000 |
|