| ## |
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 |
419 |
102 |
22049 |
◊ |
C |
x,y,z |
1_555 |
417 |
101 |
22340 |
3811.8 |
-30.8 |
0.222 |
66 |
12 |
0 |
0.261 |
2 |
|
B |
407 |
101 |
22184 |
◊ |
A |
x,y,z |
1_555 |
415 |
101 |
22145 |
3796.6 |
-29.2 |
0.212 |
67 |
12 |
0 |
0.261 |
| Average: |
3804.2 |
-30.0 |
0.217 |
67 |
12 |
0 |
0.261 |
| 2 |
3 |
|
A |
80 |
24 |
22145 |
◊ |
B |
-x+1,y-1/2,-z |
2_645 |
83 |
30 |
22184 |
747.0 |
3.8 |
0.899 |
9 |
1 |
0 |
0.000 |
4 |
|
C |
77 |
28 |
22340 |
◊ |
D |
-x,y-1/2,-z-1 |
2_544 |
72 |
22 |
22049 |
686.3 |
-3.2 |
0.552 |
4 |
1 |
0 |
0.000 |
| Average: |
716.7 |
0.3 |
0.725 |
7 |
1 |
0 |
0.000 |
| 3 |
5 |
|
C |
58 |
16 |
22340 |
◊ |
D |
x-1,y,z |
1_455 |
60 |
19 |
22049 |
508.4 |
-3.6 |
0.475 |
3 |
0 |
0 |
0.000 |
6 |
|
A |
58 |
19 |
22145 |
◊ |
B |
x-1,y,z |
1_455 |
55 |
15 |
22184 |
495.7 |
-3.2 |
0.484 |
4 |
0 |
0 |
0.000 |
| Average: |
502.1 |
-3.4 |
0.479 |
4 |
0 |
0 |
0.000 |
| 4 |
7 |
|
A |
43 |
13 |
22145 |
◊ |
D |
-x+1,y-1/2,-z |
2_645 |
45 |
14 |
22049 |
381.1 |
-0.3 |
0.652 |
3 |
0 |
0 |
0.000 |
| 5 |
8 |
|
A |
39 |
11 |
22145 |
◊ |
D |
-x,y-1/2,-z |
2_545 |
49 |
14 |
22049 |
375.1 |
2.9 |
0.811 |
9 |
7 |
0 |
0.000 |
| 6 |
9 |
|
C |
31 |
10 |
22340 |
◊ |
B |
-x,y-1/2,-z |
2_545 |
39 |
11 |
22184 |
259.1 |
-1.4 |
0.441 |
0 |
0 |
0 |
0.000 |
| 7 |
10 |
|
C |
19 |
7 |
22340 |
◊ |
B |
-x+1,y-1/2,-z |
2_645 |
20 |
9 |
22184 |
202.6 |
1.8 |
0.800 |
2 |
2 |
0 |
0.000 |
| 8 |
11 |
|
[XCC]D:703 |
8 |
1 |
331 |
f |
D |
x,y,z |
1_555 |
25 |
14 |
22049 |
179.7 |
-23.0 |
0.118 |
2 |
0 |
0 |
0.204 |
12 |
|
[XCC]B:703 |
8 |
1 |
333 |
f |
B |
x,y,z |
1_555 |
26 |
14 |
22184 |
179.1 |
-23.0 |
0.143 |
2 |
0 |
0 |
0.204 |
13 |
|
[XCC]A:702 |
8 |
1 |
331 |
f |
A |
x,y,z |
1_555 |
26 |
14 |
22145 |
177.6 |
-22.8 |
0.138 |
2 |
0 |
0 |
0.204 |
14 |
|
[XCC]C:702 |
8 |
1 |
332 |
f |
C |
x,y,z |
1_555 |
25 |
14 |
22340 |
177.3 |
-22.7 |
0.121 |
2 |
0 |
0 |
0.204 |
| Average: |
178.4 |
-22.9 |
0.130 |
2 |
0 |
0 |
0.204 |
| 9 |
15 |
|
[SF4]A:701 |
8 |
1 |
309 |
f |
A |
x,y,z |
1_555 |
27 |
14 |
22145 |
178.5 |
-19.2 |
0.636 |
0 |
0 |
0 |
0.174 |
16 |
|
[SF4]D:702 |
8 |
1 |
308 |
f |
D |
x,y,z |
1_555 |
24 |
14 |
22049 |
177.9 |
-21.5 |
0.223 |
0 |
0 |
0 |
0.174 |
17 |
|
[SF4]B:702 |
8 |
1 |
307 |
f |
B |
x,y,z |
1_555 |
26 |
15 |
22184 |
177.4 |
-19.1 |
0.640 |
0 |
0 |
0 |
0.174 |
18 |
|
[SF4]C:701 |
8 |
1 |
307 |
f |
C |
x,y,z |
1_555 |
26 |
14 |
22340 |
177.3 |
-21.6 |
0.212 |
0 |
0 |
0 |
0.174 |
| Average: |
177.8 |
-20.3 |
0.428 |
0 |
0 |
0 |
0.174 |
| 10 |
19 |
|
C |
16 |
6 |
22340 |
◊ |
A |
x,y,z |
1_555 |
12 |
5 |
22145 |
128.4 |
-1.5 |
0.327 |
0 |
0 |
0 |
0.000 |
| 11 |
20 |
|
[GOL]D:705 |
6 |
1 |
217 |
f |
D |
x,y,z |
1_555 |
19 |
7 |
22049 |
108.4 |
-0.2 |
0.640 |
6 |
0 |
0 |
0.012 |
| 12 |
21 |
|
[GOL]C:704 |
6 |
1 |
217 |
f |
C |
x,y,z |
1_555 |
20 |
7 |
22340 |
107.6 |
-0.3 |
0.587 |
6 |
0 |
0 |
0.012 |
| 13 |
22 |
|
[FES]D:701 |
4 |
1 |
235 |
f |
D |
x,y,z |
1_555 |
12 |
7 |
22049 |
92.7 |
-10.0 |
0.270 |
1 |
0 |
0 |
0.042 |
23 |
|
[FES]B:701 |
4 |
1 |
235 |
f |
B |
x,y,z |
1_555 |
13 |
7 |
22184 |
81.7 |
-8.7 |
0.277 |
1 |
0 |
0 |
0.042 |
| Average: |
87.2 |
-9.4 |
0.274 |
1 |
0 |
0 |
0.042 |
| 14 |
24 |
|
[FES]D:701 |
4 |
1 |
235 |
◊ |
C |
x,y,z |
1_555 |
13 |
7 |
22340 |
91.6 |
-9.9 |
0.287 |
1 |
0 |
0 |
0.042 |
25 |
|
[FES]B:701 |
4 |
1 |
235 |
◊ |
A |
x,y,z |
1_555 |
11 |
6 |
22145 |
81.5 |
-8.7 |
0.241 |
1 |
0 |
0 |
0.042 |
| Average: |
86.6 |
-9.3 |
0.264 |
1 |
0 |
0 |
0.042 |
| 15 |
26 |
|
C |
10 |
3 |
22340 |
◊ |
D |
-x-1,y-1/2,-z-1 |
2_444 |
12 |
3 |
22049 |
77.1 |
0.2 |
0.709 |
1 |
1 |
0 |
0.000 |
27 |
|
A |
8 |
3 |
22145 |
◊ |
B |
-x,y-1/2,-z |
2_545 |
10 |
2 |
22184 |
67.3 |
-0.3 |
0.490 |
0 |
0 |
0 |
0.000 |
| Average: |
72.2 |
-0.0 |
0.600 |
1 |
1 |
0 |
0.000 |
| 16 |
28 |
|
C |
8 |
3 |
22340 |
◊ |
B |
x-1,y,z-1 |
1_454 |
9 |
3 |
22184 |
73.8 |
-1.0 |
0.378 |
0 |
0 |
0 |
0.000 |
| 17 |
29 |
|
B |
7 |
3 |
22184 |
x |
B |
x-1,y,z |
1_455 |
8 |
2 |
22184 |
70.3 |
0.2 |
0.648 |
1 |
0 |
0 |
0.000 |
30 |
|
C |
6 |
2 |
22340 |
x |
C |
x-1,y,z |
1_455 |
6 |
3 |
22340 |
65.6 |
0.4 |
0.666 |
1 |
0 |
0 |
0.000 |
31 |
|
D |
5 |
2 |
22049 |
x |
D |
x-1,y,z |
1_455 |
1 |
1 |
22049 |
36.5 |
-0.6 |
0.127 |
0 |
0 |
0 |
0.000 |
32 |
|
A |
2 |
1 |
22145 |
x |
A |
x-1,y,z |
1_455 |
5 |
2 |
22145 |
36.3 |
-0.7 |
0.182 |
0 |
0 |
0 |
0.000 |
| Average: |
52.2 |
-0.2 |
0.405 |
1 |
0 |
0 |
0.000 |
| 18 |
33 |
|
[GOL]A:704 |
5 |
1 |
217 |
◊ |
A |
x,y,z |
1_555 |
9 |
4 |
22145 |
69.6 |
-1.3 |
0.241 |
1 |
0 |
0 |
0.007 |
| 19 |
34 |
|
[GOL]A:704 |
5 |
1 |
217 |
f |
B |
x,y,z |
1_555 |
9 |
3 |
22184 |
67.5 |
-1.3 |
0.222 |
1 |
0 |
0 |
0.008 |
| 20 |
35 |
|
[CL]B:707 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
11 |
4 |
22184 |
66.7 |
-9.0 |
0.000 |
0 |
0 |
0 |
0.039 |
36 |
|
[CL]C:707 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
10 |
3 |
22340 |
65.9 |
-8.8 |
0.000 |
0 |
0 |
0 |
0.039 |
| Average: |
66.3 |
-8.9 |
0.000 |
0 |
0 |
0 |
0.039 |
| 21 |
37 |
|
[FE]D:704 |
1 |
1 |
137 |
f |
D |
x,y,z |
1_555 |
15 |
10 |
22049 |
55.4 |
-9.3 |
0.000 |
0 |
0 |
0 |
0.080 |
38 |
|
[FE]B:704 |
1 |
1 |
137 |
f |
B |
x,y,z |
1_555 |
16 |
10 |
22184 |
55.4 |
-9.3 |
0.000 |
0 |
0 |
0 |
0.080 |
39 |
|
[FE]C:703 |
1 |
1 |
137 |
f |
C |
x,y,z |
1_555 |
14 |
10 |
22340 |
54.8 |
-8.3 |
0.000 |
0 |
0 |
0 |
0.080 |
40 |
|
[FE]A:703 |
1 |
1 |
137 |
f |
A |
x,y,z |
1_555 |
16 |
10 |
22145 |
54.7 |
-9.3 |
0.000 |
0 |
0 |
0 |
0.080 |
| Average: |
55.1 |
-9.1 |
0.000 |
0 |
0 |
0 |
0.080 |
| 22 |
41 |
|
[MG]A:705 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
14 |
5 |
22145 |
49.0 |
-5.8 |
0.000 |
0 |
0 |
0 |
0.049 |
42 |
|
[MG]D:706 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
13 |
4 |
22049 |
48.6 |
-5.8 |
0.000 |
0 |
0 |
0 |
0.049 |
43 |
|
[MG]C:705 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
13 |
4 |
22340 |
48.1 |
-5.6 |
0.000 |
0 |
0 |
0 |
0.049 |
44 |
|
[MG]B:705 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
13 |
4 |
22184 |
47.9 |
-5.5 |
0.000 |
0 |
0 |
0 |
0.049 |
| Average: |
48.4 |
-5.7 |
0.000 |
0 |
0 |
0 |
0.049 |
| 23 |
45 |
|
C |
4 |
3 |
22340 |
◊ |
A |
x-1,y,z-1 |
1_454 |
5 |
2 |
22145 |
44.5 |
-0.7 |
0.300 |
0 |
0 |
0 |
0.000 |
| 24 |
46 |
|
[FE]C:703 |
1 |
1 |
137 |
f |
[XCC]C:702 |
x,y,z |
1_555 |
4 |
1 |
332 |
41.7 |
-7.7 |
0.000 |
0 |
0 |
0 |
0.065 |
47 |
|
[FE]B:704 |
1 |
1 |
137 |
f |
[XCC]B:703 |
x,y,z |
1_555 |
4 |
1 |
333 |
40.8 |
-7.6 |
0.000 |
0 |
0 |
0 |
0.065 |
48 |
|
[FE]A:703 |
1 |
1 |
137 |
f |
[XCC]A:702 |
x,y,z |
1_555 |
3 |
1 |
331 |
40.8 |
-7.6 |
0.000 |
0 |
0 |
0 |
0.065 |
49 |
|
[FE]D:704 |
1 |
1 |
137 |
f |
[XCC]D:703 |
x,y,z |
1_555 |
3 |
1 |
331 |
40.6 |
-7.6 |
0.000 |
0 |
0 |
0 |
0.065 |
| Average: |
41.0 |
-7.6 |
0.000 |
0 |
0 |
0 |
0.065 |
| 25 |
50 |
|
[FES]B:701 |
4 |
1 |
235 |
f |
[GOL]A:704 |
x,y,z |
1_555 |
3 |
1 |
217 |
37.2 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.011 |
| 26 |
51 |
|
[MG]D:707 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
5 |
3 |
22049 |
37.1 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.017 |
| 27 |
52 |
|
C |
7 |
4 |
22340 |
◊ |
[MG]D:707 |
-x,y-1/2,-z-1 |
2_544 |
1 |
1 |
98 |
31.0 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.000 |
| 28 |
53 |
|
[MG]D:708 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
4 |
2 |
22049 |
23.0 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.021 |
54 |
|
[MG]C:706 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
3 |
2 |
22340 |
22.4 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.021 |
55 |
|
[MG]B:706 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
4 |
2 |
22184 |
22.4 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.021 |
| Average: |
22.6 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.021 |
| 29 |
56 |
|
D |
3 |
3 |
22049 |
◊ |
A |
x,y,z-1 |
1_554 |
1 |
1 |
22145 |
20.4 |
-0.6 |
0.153 |
0 |
0 |
0 |
0.000 |
| 30 |
57 |
|
[MG]D:708 |
1 |
1 |
98 |
◊ |
C |
x,y,z |
1_555 |
2 |
2 |
22340 |
13.3 |
-1.5 |
0.000 |
0 |
0 |
0 |
0.011 |
58 |
|
[MG]B:706 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
22145 |
12.3 |
-1.4 |
0.000 |
0 |
0 |
0 |
0.011 |
59 |
|
[MG]C:706 |
1 |
1 |
98 |
◊ |
D |
x,y,z |
1_555 |
1 |
1 |
22049 |
10.5 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.011 |
| Average: |
12.0 |
-1.4 |
0.000 |
0 |
0 |
0 |
0.011 |
| 31 |
60 |
|
[SF4]A:701 |
4 |
1 |
309 |
◊ |
B |
x,y,z |
1_555 |
4 |
2 |
22184 |
12.6 |
-1.4 |
0.000 |
0 |
0 |
0 |
0.012 |
61 |
|
[SF4]B:702 |
4 |
1 |
307 |
◊ |
A |
x,y,z |
1_555 |
3 |
2 |
22145 |
12.3 |
-1.4 |
0.000 |
0 |
0 |
0 |
0.012 |
62 |
|
[SF4]D:702 |
4 |
1 |
308 |
◊ |
C |
x,y,z |
1_555 |
4 |
2 |
22340 |
12.1 |
-1.4 |
0.000 |
0 |
0 |
0 |
0.012 |
63 |
|
[SF4]C:701 |
4 |
1 |
307 |
◊ |
D |
x,y,z |
1_555 |
3 |
2 |
22049 |
11.7 |
-1.3 |
0.000 |
0 |
0 |
0 |
0.012 |
| Average: |
12.2 |
-1.4 |
0.000 |
0 |
0 |
0 |
0.012 |
| 32 |
64 |
|
C |
1 |
1 |
22340 |
◊ |
[MG]C:706 |
x-1,y,z |
1_455 |
1 |
1 |
98 |
11.8 |
-1.4 |
0.000 |
0 |
0 |
0 |
0.000 |
65 |
|
[MG]B:706 |
1 |
1 |
98 |
◊ |
B |
x-1,y,z |
1_455 |
1 |
1 |
22184 |
8.3 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.000 |
| Average: |
10.0 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.000 |
| 33 |
66 |
|
[XCC]C:702 |
2 |
1 |
332 |
◊ |
D |
x,y,z |
1_555 |
2 |
1 |
22049 |
11.0 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.005 |
67 |
|
[XCC]D:703 |
2 |
1 |
331 |
◊ |
C |
x,y,z |
1_555 |
2 |
1 |
22340 |
10.8 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.005 |
68 |
|
[XCC]B:703 |
2 |
1 |
333 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
22145 |
10.8 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.005 |
69 |
|
[XCC]A:702 |
2 |
1 |
331 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
22184 |
10.7 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.005 |
| Average: |
10.9 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.005 |
|