## |
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 |
|
C |
116 |
35 |
17771 |
◊ |
D |
x,y-1,z |
1_545 |
97 |
30 |
16890 |
996.1 |
-9.1 |
0.176 |
12 |
3 |
0 |
0.000 |
2 |
|
D |
101 |
33 |
16890 |
◊ |
C |
x,y,z |
1_555 |
93 |
26 |
17771 |
887.1 |
-8.6 |
0.170 |
11 |
4 |
0 |
0.000 |
3 |
|
B |
87 |
27 |
17748 |
◊ |
A |
x,y,z |
1_555 |
100 |
34 |
16785 |
885.4 |
-8.5 |
0.157 |
8 |
4 |
0 |
0.000 |
4 |
|
A |
86 |
27 |
16785 |
◊ |
B |
x-1,y,z |
1_455 |
96 |
30 |
17748 |
839.7 |
-7.4 |
0.241 |
10 |
3 |
0 |
0.000 |
Average: |
902.1 |
-8.4 |
0.186 |
10 |
4 |
0 |
0.000 |
2 |
5 |
|
C |
43 |
12 |
17771 |
◊ |
B |
x-1,y,z |
1_455 |
60 |
17 |
17748 |
534.7 |
-2.6 |
0.486 |
13 |
0 |
0 |
0.000 |
6 |
|
C |
63 |
18 |
17771 |
◊ |
B |
x,y-1,z |
1_545 |
44 |
12 |
17748 |
533.4 |
-2.4 |
0.510 |
12 |
0 |
0 |
0.000 |
Average: |
534.0 |
-2.5 |
0.498 |
13 |
0 |
0 |
0.000 |
3 |
7 |
|
D |
57 |
17 |
16890 |
◊ |
B |
x,y,z-1 |
1_554 |
52 |
16 |
17748 |
480.1 |
-0.3 |
0.694 |
9 |
0 |
0 |
0.000 |
4 |
8 |
|
C |
31 |
11 |
17771 |
◊ |
A |
x,y,z-1 |
1_554 |
35 |
13 |
16785 |
329.3 |
1.2 |
0.728 |
5 |
3 |
0 |
0.000 |
5 |
9 |
|
D |
28 |
7 |
16890 |
◊ |
B |
x,y,z |
1_555 |
33 |
12 |
17748 |
292.2 |
-2.8 |
0.324 |
2 |
0 |
0 |
0.000 |
10 |
|
C |
29 |
11 |
17771 |
◊ |
A |
x,y,z |
1_555 |
32 |
7 |
16785 |
276.2 |
-3.5 |
0.199 |
2 |
0 |
0 |
0.000 |
Average: |
284.2 |
-3.1 |
0.262 |
2 |
0 |
0 |
0.000 |
6 |
11 |
|
[UV4]A:700 |
19 |
1 |
451 |
f |
A |
x,y,z |
1_555 |
46 |
13 |
16785 |
263.5 |
-4.4 |
0.460 |
3 |
0 |
0 |
0.004 |
12 |
|
[UV4]B:700 |
19 |
1 |
452 |
f |
B |
x,y,z |
1_555 |
48 |
14 |
17748 |
261.0 |
-5.6 |
0.323 |
3 |
0 |
0 |
0.004 |
13 |
|
[UV4]D:700 |
19 |
1 |
452 |
f |
D |
x,y,z |
1_555 |
46 |
14 |
16890 |
258.9 |
-4.6 |
0.457 |
2 |
0 |
0 |
0.004 |
14 |
|
[UV4]C:700 |
19 |
1 |
449 |
f |
C |
x,y,z |
1_555 |
45 |
14 |
17771 |
256.3 |
-5.0 |
0.304 |
2 |
0 |
0 |
0.004 |
Average: |
259.9 |
-4.9 |
0.386 |
3 |
0 |
0 |
0.004 |
7 |
15 |
|
C |
23 |
8 |
17771 |
◊ |
A |
x,y-1,z |
1_545 |
25 |
9 |
16785 |
187.4 |
-1.1 |
0.496 |
1 |
2 |
0 |
0.000 |
16 |
|
D |
23 |
10 |
16890 |
◊ |
B |
x-1,y,z |
1_455 |
19 |
7 |
17748 |
150.9 |
-0.4 |
0.556 |
1 |
2 |
0 |
0.000 |
Average: |
169.2 |
-0.7 |
0.526 |
1 |
2 |
0 |
0.000 |
8 |
17 |
|
D |
19 |
8 |
16890 |
◊ |
A |
x,y,z-1 |
1_554 |
22 |
7 |
16785 |
152.2 |
-0.4 |
0.584 |
1 |
1 |
0 |
0.000 |
9 |
18 |
|
[GOL]B:801 |
6 |
1 |
220 |
f |
B |
x,y,z |
1_555 |
20 |
9 |
17748 |
141.3 |
0.0 |
0.618 |
8 |
0 |
0 |
0.003 |
19 |
|
[GOL]C:800 |
6 |
1 |
221 |
f |
C |
x,y,z |
1_555 |
22 |
9 |
17771 |
140.3 |
-0.1 |
0.591 |
7 |
0 |
0 |
0.003 |
20 |
|
[GOL]D:801 |
6 |
1 |
218 |
f |
D |
x,y,z |
1_555 |
20 |
9 |
16890 |
137.5 |
0.0 |
0.615 |
9 |
0 |
0 |
0.003 |
Average: |
139.7 |
-0.0 |
0.608 |
8 |
0 |
0 |
0.003 |
10 |
21 |
|
[DMF]D:901 |
5 |
1 |
216 |
f |
D |
x,y,z |
1_555 |
27 |
8 |
16890 |
141.0 |
3.2 |
0.438 |
0 |
0 |
0 |
0.000 |
11 |
22 |
|
[DMF]C:901 |
5 |
1 |
215 |
f |
C |
x,y,z |
1_555 |
27 |
9 |
17771 |
140.5 |
3.2 |
0.481 |
0 |
0 |
0 |
0.000 |
12 |
23 |
|
[DMF]B:901 |
5 |
1 |
216 |
f |
B |
x,y,z |
1_555 |
27 |
8 |
17748 |
140.0 |
3.6 |
0.494 |
1 |
0 |
0 |
0.000 |
13 |
24 |
|
[GOL]A:801 |
6 |
1 |
219 |
f |
A |
x,y,z |
1_555 |
20 |
9 |
16785 |
139.4 |
-0.0 |
0.606 |
9 |
0 |
0 |
0.002 |
14 |
25 |
|
[GOL]C:801 |
6 |
1 |
220 |
f |
C |
x,y,z |
1_555 |
24 |
11 |
17771 |
137.8 |
1.0 |
0.681 |
5 |
0 |
0 |
0.000 |
15 |
26 |
|
[GOL]D:800 |
6 |
1 |
223 |
f |
D |
x,y,z |
1_555 |
22 |
7 |
16890 |
132.3 |
-0.4 |
0.508 |
5 |
0 |
0 |
0.002 |
16 |
27 |
|
[GOL]A:800 |
6 |
1 |
223 |
f |
A |
x,y,z |
1_555 |
19 |
10 |
16785 |
125.4 |
-0.1 |
0.593 |
7 |
0 |
0 |
0.002 |
17 |
28 |
|
[GOL]C:802 |
6 |
1 |
217 |
f |
C |
x,y,z |
1_555 |
16 |
8 |
17771 |
123.2 |
-0.6 |
0.497 |
4 |
0 |
0 |
0.002 |
18 |
29 |
|
[DMF]C:900 |
5 |
1 |
216 |
◊ |
C |
x,y,z |
1_555 |
17 |
6 |
17771 |
120.0 |
2.9 |
0.411 |
1 |
0 |
0 |
0.000 |
30 |
|
[DMF]B:900 |
5 |
1 |
216 |
◊ |
B |
x,y,z |
1_555 |
17 |
6 |
17748 |
119.9 |
2.8 |
0.412 |
1 |
0 |
0 |
0.000 |
Average: |
120.0 |
2.8 |
0.412 |
1 |
0 |
0 |
0.000 |
19 |
31 |
|
[K]D:601 |
1 |
1 |
216 |
f |
D |
x,y,z |
1_555 |
12 |
7 |
16890 |
113.8 |
-108.2 |
0.000 |
0 |
0 |
0 |
0.070 |
32 |
|
[K]B:601 |
1 |
1 |
216 |
f |
B |
x,y,z |
1_555 |
12 |
7 |
17748 |
113.6 |
-108.2 |
0.000 |
0 |
0 |
0 |
0.070 |
33 |
|
[K]A:601 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
11 |
7 |
16785 |
113.2 |
-108.3 |
0.000 |
0 |
0 |
0 |
0.070 |
34 |
|
[K]C:601 |
1 |
1 |
216 |
f |
C |
x,y,z |
1_555 |
10 |
7 |
17771 |
112.9 |
-108.2 |
0.000 |
0 |
0 |
0 |
0.070 |
Average: |
113.4 |
-108.2 |
0.000 |
0 |
0 |
0 |
0.070 |
20 |
35 |
|
[GOL]D:803 |
6 |
1 |
218 |
◊ |
D |
x,y,z |
1_555 |
12 |
4 |
16890 |
97.3 |
0.5 |
0.669 |
2 |
0 |
0 |
0.000 |
21 |
36 |
|
[GOL]D:803 |
6 |
1 |
218 |
f |
C |
x,y,z |
1_555 |
11 |
4 |
17771 |
62.6 |
-0.1 |
0.568 |
1 |
0 |
0 |
0.000 |
22 |
37 |
|
C |
7 |
2 |
17771 |
◊ |
[UV4]D:700 |
x,y-1,z |
1_545 |
6 |
1 |
452 |
57.5 |
0.9 |
0.871 |
1 |
0 |
0 |
0.000 |
38 |
|
[UV4]A:700 |
6 |
1 |
451 |
◊ |
B |
x-1,y,z |
1_455 |
5 |
1 |
17748 |
49.1 |
-0.7 |
0.639 |
1 |
0 |
0 |
0.000 |
39 |
|
[UV4]C:700 |
5 |
1 |
449 |
◊ |
D |
x,y,z |
1_555 |
5 |
1 |
16890 |
44.7 |
-0.6 |
0.648 |
0 |
0 |
0 |
0.000 |
40 |
|
[UV4]B:700 |
5 |
1 |
452 |
◊ |
A |
x,y,z |
1_555 |
5 |
1 |
16785 |
42.8 |
0.5 |
0.788 |
0 |
0 |
0 |
0.000 |
Average: |
48.5 |
0.0 |
0.737 |
1 |
0 |
0 |
0.000 |
23 |
41 |
|
[GOL]C:802 |
5 |
1 |
217 |
◊ |
A |
x,y-1,z |
1_545 |
4 |
2 |
16785 |
49.3 |
-0.5 |
0.235 |
0 |
0 |
0 |
0.000 |
24 |
42 |
|
[GOL]D:800 |
3 |
1 |
223 |
◊ |
C |
x,y,z |
1_555 |
9 |
4 |
17771 |
45.4 |
-0.1 |
0.483 |
0 |
0 |
0 |
0.000 |
25 |
43 |
|
[ZN]D:500 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
9 |
7 |
16890 |
36.5 |
-26.4 |
0.000 |
0 |
0 |
0 |
0.017 |
44 |
|
[ZN]A:500 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
8 |
6 |
16785 |
35.9 |
-25.9 |
0.000 |
0 |
0 |
0 |
0.017 |
45 |
|
[ZN]C:500 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
9 |
7 |
17771 |
35.9 |
-25.7 |
0.000 |
0 |
0 |
0 |
0.017 |
46 |
|
[ZN]B:500 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
9 |
7 |
17748 |
35.4 |
-25.8 |
0.000 |
0 |
0 |
0 |
0.017 |
Average: |
35.9 |
-26.0 |
0.000 |
0 |
0 |
0 |
0.017 |
26 |
47 |
|
C |
4 |
2 |
17771 |
◊ |
B |
x-1,y-1,z |
1_445 |
6 |
2 |
17748 |
32.7 |
0.4 |
0.744 |
0 |
0 |
0 |
0.000 |
27 |
48 |
|
[UV4]B:700 |
5 |
1 |
452 |
f |
[ZN]B:500 |
x,y,z |
1_555 |
1 |
1 |
98 |
31.1 |
-13.4 |
0.000 |
0 |
0 |
0 |
0.009 |
49 |
|
[UV4]C:700 |
5 |
1 |
449 |
f |
[ZN]C:500 |
x,y,z |
1_555 |
1 |
1 |
98 |
31.1 |
-13.5 |
0.000 |
0 |
0 |
0 |
0.009 |
50 |
|
[UV4]D:700 |
5 |
1 |
452 |
f |
[ZN]D:500 |
x,y,z |
1_555 |
1 |
1 |
98 |
30.4 |
-12.8 |
0.000 |
0 |
0 |
0 |
0.009 |
51 |
|
[UV4]A:700 |
5 |
1 |
451 |
f |
[ZN]A:500 |
x,y,z |
1_555 |
1 |
1 |
98 |
30.2 |
-13.0 |
0.000 |
0 |
0 |
0 |
0.009 |
Average: |
30.7 |
-13.2 |
0.000 |
0 |
0 |
0 |
0.009 |
28 |
52 |
|
[GOL]D:803 |
4 |
1 |
218 |
f |
[UV4]C:700 |
x,y,z |
1_555 |
2 |
1 |
449 |
18.9 |
-0.1 |
0.595 |
0 |
0 |
0 |
0.000 |
29 |
53 |
|
[DMF]C:900 |
2 |
1 |
216 |
f |
B |
x,y-1,z |
1_545 |
1 |
1 |
17748 |
13.7 |
-0.4 |
0.196 |
0 |
0 |
0 |
0.000 |
54 |
|
C |
2 |
1 |
17771 |
f |
[DMF]B:900 |
x-1,y,z |
1_455 |
2 |
1 |
216 |
6.4 |
-0.2 |
0.318 |
0 |
0 |
0 |
0.000 |
Average: |
10.0 |
-0.3 |
0.257 |
0 |
0 |
0 |
0.000 |
30 |
55 |
|
C |
1 |
1 |
17771 |
◊ |
[GOL]D:801 |
x,y-1,z |
1_545 |
1 |
1 |
218 |
2.0 |
0.0 |
0.610 |
0 |
0 |
0 |
0.000 |
31 |
56 |
|
[GOL]A:800 |
1 |
1 |
223 |
f |
[K]A:600 |
x,y,z |
1_555 |
1 |
1 |
216 |
1.5 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.000 |
32 |
57 |
|
[GOL]A:801 |
1 |
1 |
219 |
◊ |
B |
x-1,y,z |
1_455 |
1 |
1 |
17748 |
1.0 |
0.0 |
0.599 |
0 |
0 |
0 |
0.000 |
|