## |
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 |
|
G |
90 |
27 |
16648 |
◊ |
D |
x,y,z |
1_555 |
91 |
27 |
16680 |
912.6 |
-10.3 |
0.097 |
11 |
11 |
0 |
0.085 |
2 |
|
H |
91 |
26 |
16828 |
◊ |
C |
x,y,z |
1_555 |
91 |
26 |
17001 |
899.9 |
-10.0 |
0.095 |
10 |
11 |
0 |
0.085 |
3 |
|
F |
92 |
27 |
16882 |
◊ |
E |
x,y,z |
1_555 |
94 |
27 |
16745 |
899.0 |
-10.0 |
0.104 |
10 |
11 |
0 |
0.085 |
4 |
|
B |
92 |
27 |
16872 |
◊ |
A |
x,y,z |
1_555 |
89 |
27 |
16775 |
896.5 |
-10.2 |
0.092 |
11 |
12 |
0 |
0.085 |
Average: |
902.0 |
-10.1 |
0.097 |
11 |
11 |
0 |
0.085 |
2 |
5 |
|
H |
78 |
16 |
16828 |
◊ |
B |
x,y,z |
1_555 |
90 |
30 |
16872 |
772.2 |
0.2 |
0.454 |
16 |
7 |
0 |
0.061 |
6 |
|
C |
89 |
29 |
17001 |
◊ |
A |
x,y,z |
1_555 |
82 |
16 |
16775 |
766.9 |
0.6 |
0.455 |
15 |
7 |
0 |
0.061 |
7 |
|
E |
86 |
29 |
16745 |
◊ |
D |
x,y,z |
1_555 |
82 |
16 |
16680 |
763.1 |
0.5 |
0.446 |
14 |
8 |
0 |
0.061 |
8 |
|
G |
90 |
30 |
16648 |
◊ |
F |
x,y,z |
1_555 |
78 |
16 |
16882 |
756.6 |
0.4 |
0.466 |
13 |
7 |
0 |
0.061 |
9 |
|
G |
81 |
16 |
16648 |
◊ |
A |
x,y,z |
1_555 |
89 |
30 |
16775 |
749.7 |
0.3 |
0.467 |
14 |
7 |
0 |
0.061 |
10 |
|
D |
91 |
30 |
16680 |
◊ |
B |
x,y,z |
1_555 |
79 |
16 |
16872 |
746.8 |
-1.1 |
0.451 |
14 |
7 |
0 |
0.061 |
11 |
|
F |
87 |
30 |
16882 |
◊ |
C |
x,y,z |
1_555 |
79 |
15 |
17001 |
726.6 |
-1.6 |
0.423 |
12 |
7 |
0 |
0.061 |
12 |
|
H |
88 |
29 |
16828 |
◊ |
E |
x,y,z |
1_555 |
78 |
15 |
16745 |
714.2 |
-2.2 |
0.423 |
11 |
6 |
0 |
0.061 |
Average: |
749.5 |
-0.4 |
0.448 |
14 |
7 |
0 |
0.061 |
3 |
13 |
|
D |
82 |
24 |
16680 |
◊ |
A |
x,y,z |
1_555 |
79 |
24 |
16775 |
745.5 |
-7.3 |
0.179 |
7 |
0 |
0 |
0.040 |
14 |
|
G |
80 |
24 |
16648 |
◊ |
E |
x,y,z |
1_555 |
81 |
24 |
16745 |
734.4 |
-6.2 |
0.236 |
8 |
0 |
0 |
0.040 |
15 |
|
H |
77 |
21 |
16828 |
◊ |
F |
x,y,z |
1_555 |
75 |
22 |
16882 |
730.7 |
-7.7 |
0.150 |
6 |
0 |
0 |
0.040 |
16 |
|
C |
79 |
23 |
17001 |
◊ |
B |
x,y,z |
1_555 |
80 |
22 |
16872 |
730.4 |
-5.1 |
0.287 |
8 |
0 |
0 |
0.040 |
Average: |
735.3 |
-6.6 |
0.213 |
7 |
0 |
0 |
0.040 |
4 |
17 |
|
B |
53 |
18 |
16872 |
◊ |
G |
x-1,y,z |
1_455 |
56 |
16 |
16648 |
486.8 |
-9.1 |
0.049 |
1 |
1 |
0 |
0.000 |
5 |
18 |
|
H |
35 |
12 |
16828 |
◊ |
A |
-x,y-1/2,-z-1/2 |
3_544 |
41 |
11 |
16775 |
396.8 |
-0.3 |
0.538 |
9 |
3 |
0 |
0.000 |
6 |
19 |
|
H |
40 |
11 |
16828 |
◊ |
F |
x-1,y,z |
1_455 |
39 |
13 |
16882 |
383.8 |
-4.1 |
0.228 |
1 |
1 |
0 |
0.000 |
7 |
20 |
|
D |
27 |
7 |
16680 |
◊ |
G |
x-1/2,-y+1/2,-z |
4_455 |
25 |
8 |
16648 |
222.4 |
-1.4 |
0.429 |
3 |
0 |
0 |
0.000 |
8 |
21 |
|
B |
22 |
8 |
16872 |
◊ |
D |
x-1/2,-y+1/2,-z |
4_455 |
26 |
9 |
16680 |
218.6 |
3.1 |
0.853 |
1 |
1 |
0 |
0.000 |
9 |
22 |
|
F |
22 |
5 |
16882 |
◊ |
A |
-x+1,y-1/2,-z-1/2 |
3_644 |
22 |
8 |
16775 |
163.5 |
0.3 |
0.612 |
0 |
0 |
0 |
0.000 |
10 |
23 |
|
[GOL]B:432 |
6 |
1 |
219 |
f |
B |
x,y,z |
1_555 |
22 |
9 |
16872 |
133.9 |
-0.2 |
0.506 |
4 |
0 |
0 |
0.010 |
11 |
24 |
|
[GOL]G:430 |
6 |
1 |
220 |
f |
G |
x,y,z |
1_555 |
22 |
11 |
16648 |
126.0 |
-0.9 |
0.464 |
6 |
0 |
0 |
0.018 |
12 |
25 |
|
[GOL]A:430 |
6 |
1 |
221 |
f |
A |
x,y,z |
1_555 |
20 |
10 |
16775 |
123.9 |
-0.9 |
0.435 |
7 |
0 |
0 |
0.036 |
26 |
|
[GOL]B:431 |
6 |
1 |
221 |
f |
B |
x,y,z |
1_555 |
19 |
10 |
16872 |
123.9 |
-1.0 |
0.402 |
5 |
0 |
0 |
0.036 |
Average: |
123.9 |
-0.9 |
0.418 |
6 |
0 |
0 |
0.036 |
13 |
27 |
|
[GOL]E:430 |
6 |
1 |
222 |
f |
E |
x,y,z |
1_555 |
18 |
10 |
16745 |
123.6 |
-1.2 |
0.377 |
4 |
0 |
0 |
0.013 |
14 |
28 |
|
[GOL]B:433 |
6 |
1 |
220 |
f |
B |
x,y,z |
1_555 |
19 |
6 |
16872 |
106.4 |
-0.7 |
0.459 |
2 |
0 |
0 |
0.008 |
15 |
29 |
|
H |
10 |
3 |
16828 |
◊ |
E |
x-1/2,-y-1/2,-z |
4_445 |
15 |
4 |
16745 |
105.8 |
-0.1 |
0.544 |
1 |
1 |
0 |
0.000 |
16 |
30 |
|
[GOL]D:430 |
6 |
1 |
219 |
f |
D |
x,y,z |
1_555 |
12 |
4 |
16680 |
97.8 |
0.2 |
0.571 |
2 |
0 |
0 |
0.004 |
17 |
31 |
|
[GOL]B:430 |
6 |
1 |
218 |
◊ |
A |
x,y,z |
1_555 |
9 |
3 |
16775 |
75.6 |
0.3 |
0.576 |
2 |
0 |
0 |
0.003 |
18 |
32 |
|
[GOL]E:431 |
4 |
1 |
219 |
f |
E |
x,y,z |
1_555 |
9 |
3 |
16745 |
73.0 |
-0.3 |
0.467 |
2 |
0 |
0 |
0.005 |
19 |
33 |
|
[GOL]H:430 |
5 |
1 |
216 |
◊ |
H |
x,y,z |
1_555 |
9 |
3 |
16828 |
71.3 |
-0.3 |
0.536 |
1 |
0 |
0 |
0.003 |
20 |
34 |
|
[GOL]E:431 |
5 |
1 |
219 |
◊ |
F |
x,y,z |
1_555 |
9 |
3 |
16882 |
70.0 |
0.1 |
0.553 |
2 |
0 |
0 |
0.003 |
21 |
35 |
|
[GOL]H:430 |
5 |
1 |
216 |
f |
C |
x,y,z |
1_555 |
8 |
3 |
17001 |
66.8 |
-0.4 |
0.491 |
1 |
0 |
0 |
0.003 |
22 |
36 |
|
B |
7 |
3 |
16872 |
◊ |
G |
x-1/2,-y+1/2,-z |
4_455 |
9 |
4 |
16648 |
66.5 |
0.2 |
0.586 |
0 |
0 |
0 |
0.000 |
23 |
37 |
|
[GOL]B:430 |
4 |
1 |
218 |
f |
B |
x,y,z |
1_555 |
8 |
3 |
16872 |
64.8 |
0.2 |
0.533 |
2 |
0 |
0 |
0.004 |
24 |
38 |
|
[ZN]D:427 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
12 |
8 |
16680 |
60.6 |
-35.2 |
0.000 |
0 |
0 |
0 |
0.365 |
39 |
|
[ZN]E:427 |
1 |
1 |
98 |
f |
E |
x,y,z |
1_555 |
11 |
8 |
16745 |
60.4 |
-35.3 |
0.000 |
0 |
0 |
0 |
0.365 |
40 |
|
[ZN]A:427 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
11 |
8 |
16775 |
60.1 |
-35.9 |
0.000 |
0 |
0 |
0 |
0.365 |
41 |
|
[ZN]B:427 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
11 |
8 |
16872 |
59.3 |
-34.8 |
0.000 |
0 |
0 |
0 |
0.365 |
42 |
|
[ZN]F:427 |
1 |
1 |
98 |
f |
F |
x,y,z |
1_555 |
11 |
8 |
16882 |
59.1 |
-35.9 |
0.000 |
0 |
0 |
0 |
0.365 |
43 |
|
[ZN]C:427 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
11 |
8 |
17001 |
58.8 |
-35.7 |
0.000 |
0 |
0 |
0 |
0.365 |
44 |
|
[ZN]H:427 |
1 |
1 |
98 |
f |
H |
x,y,z |
1_555 |
11 |
8 |
16828 |
58.8 |
-36.6 |
0.000 |
0 |
0 |
0 |
0.365 |
45 |
|
[ZN]G:427 |
1 |
1 |
98 |
f |
G |
x,y,z |
1_555 |
11 |
8 |
16648 |
57.2 |
-37.1 |
0.000 |
0 |
0 |
0 |
0.365 |
Average: |
59.3 |
-35.8 |
0.000 |
0 |
0 |
0 |
0.365 |
25 |
46 |
|
E |
6 |
3 |
16745 |
◊ |
F |
x-1/2,-y-1/2,-z |
4_445 |
10 |
3 |
16882 |
59.3 |
1.4 |
0.813 |
1 |
1 |
0 |
0.000 |
26 |
47 |
|
[ZN]D:426 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
9 |
5 |
16680 |
50.7 |
-30.6 |
0.000 |
0 |
0 |
0 |
0.295 |
48 |
|
[ZN]H:426 |
1 |
1 |
98 |
f |
H |
x,y,z |
1_555 |
7 |
4 |
16828 |
47.9 |
-29.0 |
0.000 |
0 |
0 |
0 |
0.295 |
49 |
|
[ZN]A:426 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
8 |
4 |
16775 |
47.9 |
-28.8 |
0.000 |
0 |
0 |
0 |
0.295 |
50 |
|
[ZN]C:426 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
9 |
5 |
17001 |
47.2 |
-28.1 |
0.000 |
0 |
0 |
0 |
0.295 |
51 |
|
[ZN]E:426 |
1 |
1 |
98 |
f |
E |
x,y,z |
1_555 |
9 |
5 |
16745 |
47.0 |
-28.7 |
0.000 |
0 |
0 |
0 |
0.295 |
52 |
|
[ZN]G:426 |
1 |
1 |
98 |
f |
G |
x,y,z |
1_555 |
7 |
4 |
16648 |
46.7 |
-27.8 |
0.000 |
0 |
0 |
0 |
0.295 |
53 |
|
[ZN]F:426 |
1 |
1 |
98 |
f |
F |
x,y,z |
1_555 |
7 |
4 |
16882 |
45.7 |
-27.1 |
0.000 |
0 |
0 |
0 |
0.295 |
54 |
|
[ZN]B:426 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
8 |
4 |
16872 |
45.5 |
-26.5 |
0.000 |
0 |
0 |
0 |
0.295 |
Average: |
47.3 |
-28.3 |
0.000 |
0 |
0 |
0 |
0.295 |
27 |
55 |
|
[ZN]E:425 |
1 |
1 |
98 |
f |
E |
x,y,z |
1_555 |
4 |
4 |
16745 |
43.1 |
-33.7 |
0.000 |
0 |
0 |
0 |
0.285 |
56 |
|
[ZN]H:425 |
1 |
1 |
98 |
f |
H |
x,y,z |
1_555 |
3 |
3 |
16828 |
43.1 |
-33.9 |
0.000 |
0 |
0 |
0 |
0.285 |
57 |
|
[ZN]F:425 |
1 |
1 |
98 |
f |
F |
x,y,z |
1_555 |
3 |
2 |
16882 |
43.0 |
-34.6 |
0.000 |
0 |
0 |
0 |
0.285 |
58 |
|
[ZN]C:425 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
3 |
3 |
17001 |
42.4 |
-33.6 |
0.000 |
0 |
0 |
0 |
0.285 |
59 |
|
[ZN]G:425 |
1 |
1 |
98 |
f |
G |
x,y,z |
1_555 |
3 |
3 |
16648 |
42.2 |
-33.4 |
0.000 |
0 |
0 |
0 |
0.285 |
60 |
|
[ZN]B:425 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
1 |
1 |
16872 |
41.9 |
-33.4 |
0.000 |
0 |
0 |
0 |
0.285 |
Average: |
42.6 |
-33.8 |
0.000 |
0 |
0 |
0 |
0.285 |
28 |
61 |
|
[GOL]D:430 |
3 |
1 |
219 |
◊ |
G |
x,y,z |
1_555 |
5 |
1 |
16648 |
39.4 |
0.6 |
0.724 |
2 |
0 |
0 |
0.002 |
29 |
62 |
|
[GOL]E:431 |
4 |
1 |
219 |
◊ |
G |
x,y,z |
1_555 |
5 |
1 |
16648 |
37.9 |
-0.5 |
0.458 |
0 |
0 |
0 |
0.000 |
30 |
63 |
|
B |
3 |
1 |
16872 |
◊ |
E |
x-1/2,-y-1/2,-z |
4_445 |
7 |
3 |
16745 |
36.3 |
1.1 |
0.797 |
1 |
0 |
0 |
0.000 |
31 |
64 |
|
[GOL]H:430 |
4 |
1 |
216 |
◊ |
B |
x,y,z |
1_555 |
4 |
1 |
16872 |
35.2 |
-0.3 |
0.499 |
0 |
0 |
0 |
0.000 |
32 |
65 |
|
[GOL]B:430 |
4 |
1 |
218 |
◊ |
D |
x,y,z |
1_555 |
4 |
1 |
16680 |
32.7 |
-0.6 |
0.399 |
0 |
0 |
0 |
0.000 |
33 |
66 |
|
[GOL]B:430 |
4 |
1 |
218 |
◊ |
C |
x,y,z |
1_555 |
4 |
1 |
17001 |
31.9 |
-0.5 |
0.434 |
0 |
0 |
0 |
0.000 |
34 |
67 |
|
[GOL]H:430 |
4 |
1 |
216 |
◊ |
F |
x,y,z |
1_555 |
3 |
1 |
16882 |
29.3 |
-0.4 |
0.457 |
0 |
0 |
0 |
0.000 |
35 |
68 |
|
[GOL]E:431 |
5 |
1 |
219 |
◊ |
H |
x,y,z |
1_555 |
3 |
1 |
16828 |
23.3 |
-0.3 |
0.446 |
0 |
0 |
0 |
0.000 |
36 |
69 |
|
[ZN]D:428 |
1 |
1 |
98 |
f |
[ZN]D:425 |
x,y,z |
1_555 |
1 |
1 |
98 |
16.1 |
-12.9 |
0.000 |
0 |
0 |
0 |
0.100 |
37 |
70 |
|
[ZN]A:428 |
1 |
1 |
98 |
f |
[ZN]A:425 |
x,y,z |
1_555 |
1 |
1 |
98 |
15.8 |
-12.6 |
0.000 |
0 |
0 |
0 |
0.100 |
38 |
71 |
|
[ZN]G:428 |
1 |
1 |
98 |
f |
[ZN]G:425 |
x,y,z |
1_555 |
1 |
1 |
98 |
15.6 |
-12.4 |
0.000 |
0 |
0 |
0 |
0.063 |
39 |
72 |
|
[GOL]B:432 |
2 |
1 |
219 |
f |
[GOL]B:431 |
x,y,z |
1_555 |
1 |
1 |
221 |
15.4 |
0.1 |
0.540 |
0 |
0 |
0 |
0.000 |
40 |
73 |
|
[ZN]B:428 |
1 |
1 |
98 |
f |
[ZN]B:425 |
x,y,z |
1_555 |
1 |
1 |
98 |
15.4 |
-12.3 |
0.000 |
0 |
0 |
0 |
0.061 |
41 |
74 |
|
[ZN]C:428 |
1 |
1 |
98 |
f |
[ZN]C:425 |
x,y,z |
1_555 |
1 |
1 |
98 |
15.0 |
-12.0 |
0.000 |
0 |
0 |
0 |
0.050 |
42 |
75 |
|
[ZN]E:428 |
1 |
1 |
98 |
f |
[ZN]E:425 |
x,y,z |
1_555 |
1 |
1 |
98 |
14.5 |
-11.6 |
0.000 |
0 |
0 |
0 |
0.048 |
43 |
76 |
|
[ZN]F:428 |
1 |
1 |
98 |
f |
[ZN]F:425 |
x,y,z |
1_555 |
1 |
1 |
98 |
14.1 |
-11.3 |
0.000 |
0 |
0 |
0 |
0.047 |
44 |
77 |
|
[ZN]H:428 |
1 |
1 |
98 |
f |
[ZN]H:425 |
x,y,z |
1_555 |
1 |
1 |
98 |
13.7 |
-11.0 |
0.000 |
0 |
0 |
0 |
0.046 |
45 |
78 |
|
C |
1 |
1 |
17001 |
◊ |
D |
-x+1/2,-y,z-1/2 |
2_554 |
5 |
1 |
16680 |
10.8 |
0.2 |
0.737 |
0 |
0 |
0 |
0.000 |
46 |
79 |
|
[GOL]D:430 |
1 |
1 |
219 |
◊ |
E |
x,y,z |
1_555 |
1 |
1 |
16745 |
1.7 |
0.1 |
0.622 |
0 |
0 |
0 |
0.000 |
|