| ## |
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 |
304 |
85 |
14161 |
◊ |
A |
x,y,z |
1_555 |
319 |
84 |
14173 |
3072.0 |
-44.9 |
0.023 |
43 |
2 |
0 |
0.093 |
2 |
|
H |
311 |
85 |
14108 |
◊ |
G |
x,y,z |
1_555 |
316 |
86 |
14232 |
3017.3 |
-43.2 |
0.028 |
44 |
2 |
0 |
0.093 |
3 |
|
F |
314 |
85 |
14123 |
◊ |
E |
x,y,z |
1_555 |
322 |
85 |
14025 |
3007.5 |
-45.3 |
0.024 |
43 |
2 |
0 |
0.093 |
4 |
|
D |
322 |
85 |
14112 |
◊ |
C |
x,y,z |
1_555 |
307 |
85 |
14120 |
3003.7 |
-45.7 |
0.025 |
45 |
2 |
0 |
0.093 |
| Average: |
3025.1 |
-44.8 |
0.025 |
44 |
2 |
0 |
0.093 |
| 2 |
5 |
|
C |
91 |
26 |
14120 |
◊ |
B |
x,y,z |
1_555 |
90 |
25 |
14161 |
814.6 |
-6.0 |
0.549 |
6 |
2 |
0 |
0.017 |
6 |
|
G |
86 |
23 |
14232 |
◊ |
F |
x,y,z |
1_555 |
86 |
24 |
14123 |
772.7 |
-9.8 |
0.256 |
5 |
1 |
0 |
0.017 |
7 |
|
D |
81 |
24 |
14112 |
◊ |
A |
x,y,z |
1_555 |
85 |
23 |
14173 |
772.4 |
-9.8 |
0.273 |
7 |
1 |
0 |
0.017 |
8 |
|
H |
83 |
25 |
14108 |
◊ |
E |
x,y,z |
1_555 |
82 |
24 |
14025 |
755.3 |
-9.9 |
0.265 |
6 |
0 |
0 |
0.017 |
| Average: |
778.8 |
-8.9 |
0.336 |
6 |
1 |
0 |
0.017 |
| 3 |
9 |
|
H |
34 |
11 |
14108 |
◊ |
F |
x,y,z |
1_555 |
28 |
10 |
14123 |
302.3 |
-4.3 |
0.269 |
3 |
2 |
0 |
0.009 |
10 |
|
C |
32 |
10 |
14120 |
◊ |
A |
x,y,z |
1_555 |
32 |
11 |
14173 |
296.5 |
-4.6 |
0.257 |
4 |
1 |
0 |
0.009 |
11 |
|
G |
29 |
10 |
14232 |
◊ |
E |
x,y,z |
1_555 |
31 |
10 |
14025 |
288.8 |
-5.3 |
0.153 |
3 |
0 |
0 |
0.009 |
12 |
|
D |
30 |
10 |
14112 |
◊ |
B |
x,y,z |
1_555 |
30 |
10 |
14161 |
286.9 |
-4.5 |
0.236 |
4 |
1 |
0 |
0.009 |
| Average: |
293.6 |
-4.7 |
0.229 |
4 |
1 |
0 |
0.009 |
| 4 |
13 |
|
E |
38 |
10 |
14025 |
◊ |
A |
x,y-1,z |
1_545 |
27 |
10 |
14173 |
276.4 |
0.9 |
0.807 |
2 |
0 |
0 |
0.000 |
14 |
|
F |
28 |
9 |
14123 |
◊ |
B |
x,y,z |
1_555 |
38 |
11 |
14161 |
254.5 |
-0.2 |
0.739 |
1 |
0 |
0 |
0.000 |
15 |
|
H |
28 |
9 |
14108 |
◊ |
D |
x,y-1,z+1 |
1_546 |
33 |
10 |
14112 |
248.1 |
0.1 |
0.585 |
2 |
0 |
0 |
0.000 |
16 |
|
C |
28 |
10 |
14120 |
◊ |
G |
x,y,z-1 |
1_554 |
36 |
10 |
14232 |
247.6 |
0.8 |
0.789 |
3 |
0 |
0 |
0.000 |
| Average: |
256.6 |
0.4 |
0.730 |
2 |
0 |
0 |
0.000 |
| 5 |
17 |
|
A |
25 |
7 |
14173 |
◊ |
D |
x-1,y,z |
1_455 |
28 |
9 |
14112 |
243.8 |
-1.0 |
0.648 |
3 |
3 |
0 |
0.000 |
| 6 |
18 |
|
G |
22 |
7 |
14232 |
◊ |
H |
x-1,y,z |
1_455 |
20 |
5 |
14108 |
187.9 |
0.5 |
0.769 |
2 |
1 |
0 |
0.000 |
| 7 |
19 |
|
H |
26 |
10 |
14108 |
◊ |
B |
x,y-1,z |
1_545 |
19 |
8 |
14161 |
172.6 |
2.8 |
0.922 |
2 |
3 |
0 |
0.000 |
20 |
|
D |
17 |
8 |
14112 |
◊ |
F |
x,y,z-1 |
1_554 |
28 |
12 |
14123 |
168.2 |
1.1 |
0.816 |
2 |
1 |
0 |
0.000 |
21 |
|
G |
16 |
6 |
14232 |
◊ |
A |
x,y-1,z+1 |
1_546 |
23 |
8 |
14173 |
124.2 |
1.4 |
0.857 |
0 |
1 |
0 |
0.000 |
22 |
|
E |
13 |
6 |
14025 |
◊ |
C |
x,y,z |
1_555 |
19 |
7 |
14120 |
117.3 |
0.6 |
0.791 |
1 |
1 |
0 |
0.000 |
| Average: |
145.6 |
1.5 |
0.846 |
1 |
2 |
0 |
0.000 |
| 8 |
23 |
|
[K]G:8008 |
1 |
1 |
216 |
f |
G |
x,y,z |
1_555 |
13 |
8 |
14232 |
119.8 |
-105.6 |
0.000 |
0 |
0 |
0 |
0.299 |
24 |
|
[K]B:8017 |
1 |
1 |
216 |
f |
B |
x,y,z |
1_555 |
13 |
8 |
14161 |
119.3 |
-106.1 |
0.000 |
0 |
0 |
0 |
0.299 |
25 |
|
[K]D:8006 |
1 |
1 |
216 |
f |
D |
x,y,z |
1_555 |
12 |
8 |
14112 |
119.1 |
-105.6 |
0.000 |
0 |
0 |
0 |
0.299 |
26 |
|
[K]H:8004 |
1 |
1 |
216 |
f |
H |
x,y,z |
1_555 |
11 |
7 |
14108 |
118.7 |
-105.5 |
0.000 |
0 |
0 |
0 |
0.299 |
27 |
|
[K]E:8018 |
1 |
1 |
216 |
f |
E |
x,y,z |
1_555 |
13 |
8 |
14025 |
118.6 |
-105.2 |
0.000 |
0 |
0 |
0 |
0.299 |
28 |
|
[K]A:8002 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
12 |
8 |
14173 |
118.2 |
-105.7 |
0.000 |
0 |
0 |
0 |
0.299 |
29 |
|
[K]C:8001 |
1 |
1 |
216 |
f |
C |
x,y,z |
1_555 |
12 |
8 |
14120 |
118.1 |
-105.6 |
0.000 |
0 |
0 |
0 |
0.299 |
30 |
|
[K]F:8009 |
1 |
1 |
216 |
f |
F |
x,y,z |
1_555 |
11 |
8 |
14123 |
117.9 |
-105.9 |
0.000 |
0 |
0 |
0 |
0.299 |
| Average: |
118.7 |
-105.6 |
0.000 |
0 |
0 |
0 |
0.299 |
| 9 |
31 |
|
[K]E:8016 |
1 |
1 |
216 |
f |
E |
x,y,z |
1_555 |
20 |
12 |
14025 |
113.0 |
-86.8 |
0.000 |
0 |
0 |
0 |
0.245 |
32 |
|
[K]F:8022 |
1 |
1 |
216 |
f |
F |
x,y,z |
1_555 |
21 |
13 |
14123 |
113.0 |
-87.1 |
0.000 |
0 |
0 |
0 |
0.245 |
33 |
|
[K]C:8007 |
1 |
1 |
216 |
f |
C |
x,y,z |
1_555 |
19 |
12 |
14120 |
112.1 |
-86.7 |
0.000 |
0 |
0 |
0 |
0.245 |
34 |
|
[K]D:8003 |
1 |
1 |
216 |
f |
D |
x,y,z |
1_555 |
20 |
13 |
14112 |
111.7 |
-86.3 |
0.000 |
0 |
0 |
0 |
0.245 |
35 |
|
[K]B:8005 |
1 |
1 |
216 |
f |
B |
x,y,z |
1_555 |
19 |
11 |
14161 |
111.6 |
-86.4 |
0.000 |
0 |
0 |
0 |
0.245 |
36 |
|
[K]A:8019 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
20 |
12 |
14173 |
111.4 |
-86.4 |
0.000 |
0 |
0 |
0 |
0.245 |
37 |
|
[K]H:8020 |
1 |
1 |
216 |
f |
H |
x,y,z |
1_555 |
19 |
12 |
14108 |
111.1 |
-86.3 |
0.000 |
0 |
0 |
0 |
0.245 |
38 |
|
[K]G:8013 |
1 |
1 |
216 |
f |
G |
x,y,z |
1_555 |
20 |
13 |
14232 |
110.8 |
-86.7 |
0.000 |
0 |
0 |
0 |
0.245 |
| Average: |
111.8 |
-86.6 |
0.000 |
0 |
0 |
0 |
0.245 |
| 10 |
39 |
|
[K]E:8024 |
1 |
1 |
216 |
f |
E |
x,y,z |
1_555 |
16 |
8 |
14025 |
98.3 |
-89.8 |
0.000 |
0 |
0 |
0 |
0.255 |
40 |
|
[K]D:8012 |
1 |
1 |
216 |
f |
D |
x,y,z |
1_555 |
15 |
8 |
14112 |
98.3 |
-89.3 |
0.000 |
0 |
0 |
0 |
0.255 |
41 |
|
[K]H:8023 |
1 |
1 |
216 |
f |
H |
x,y,z |
1_555 |
12 |
7 |
14108 |
97.2 |
-88.8 |
0.000 |
0 |
0 |
0 |
0.255 |
42 |
|
[K]F:8010 |
1 |
1 |
216 |
f |
F |
x,y,z |
1_555 |
13 |
7 |
14123 |
95.9 |
-90.0 |
0.000 |
0 |
0 |
0 |
0.255 |
43 |
|
[K]B:8015 |
1 |
1 |
216 |
f |
B |
x,y,z |
1_555 |
11 |
7 |
14161 |
93.5 |
-90.7 |
0.000 |
0 |
0 |
0 |
0.255 |
44 |
|
[K]G:8021 |
1 |
1 |
216 |
f |
G |
x,y,z |
1_555 |
13 |
8 |
14232 |
93.2 |
-89.8 |
0.000 |
0 |
0 |
0 |
0.255 |
45 |
|
[K]A:8011 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
11 |
8 |
14173 |
92.5 |
-90.1 |
0.000 |
0 |
0 |
0 |
0.255 |
46 |
|
[K]C:8014 |
1 |
1 |
216 |
f |
C |
x,y,z |
1_555 |
10 |
8 |
14120 |
92.2 |
-89.9 |
0.000 |
0 |
0 |
0 |
0.255 |
| Average: |
95.1 |
-89.8 |
0.000 |
0 |
0 |
0 |
0.255 |
| 11 |
47 |
|
C |
12 |
5 |
14120 |
◊ |
D |
x-1,y,z |
1_455 |
12 |
4 |
14112 |
90.7 |
-0.2 |
0.601 |
0 |
1 |
0 |
0.000 |
| 12 |
48 |
|
H |
11 |
5 |
14108 |
◊ |
B |
x-1,y-1,z |
1_445 |
9 |
2 |
14161 |
79.7 |
-0.5 |
0.580 |
0 |
0 |
0 |
0.000 |
| 13 |
49 |
|
H |
8 |
4 |
14108 |
◊ |
F |
x,y-1,z |
1_545 |
7 |
2 |
14123 |
59.7 |
0.3 |
0.751 |
0 |
0 |
0 |
0.000 |
50 |
|
C |
8 |
3 |
14120 |
◊ |
A |
x,y-1,z |
1_545 |
7 |
4 |
14173 |
49.4 |
-0.3 |
0.567 |
0 |
0 |
0 |
0.000 |
| Average: |
54.5 |
0.0 |
0.659 |
0 |
0 |
0 |
0.000 |
| 14 |
51 |
|
E |
5 |
1 |
14025 |
◊ |
C |
x-1,y,z |
1_455 |
12 |
4 |
14120 |
58.8 |
-0.2 |
0.645 |
0 |
0 |
0 |
0.000 |
| 15 |
52 |
|
E |
4 |
1 |
14025 |
◊ |
A |
x-1,y-1,z |
1_445 |
6 |
4 |
14173 |
51.5 |
1.7 |
0.931 |
2 |
0 |
0 |
0.000 |
| 16 |
53 |
|
[K]H:8020 |
1 |
1 |
216 |
◊ |
G |
x,y,z |
1_555 |
3 |
1 |
14232 |
43.8 |
-21.6 |
0.000 |
0 |
0 |
0 |
0.061 |
54 |
|
[K]A:8019 |
1 |
1 |
216 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
14161 |
43.2 |
-21.6 |
0.000 |
0 |
0 |
0 |
0.061 |
55 |
|
[K]G:8013 |
1 |
1 |
216 |
◊ |
H |
x,y,z |
1_555 |
3 |
1 |
14108 |
43.1 |
-21.2 |
0.000 |
0 |
0 |
0 |
0.061 |
56 |
|
[K]B:8005 |
1 |
1 |
216 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
14173 |
43.1 |
-21.5 |
0.000 |
0 |
0 |
0 |
0.061 |
57 |
|
[K]D:8003 |
1 |
1 |
216 |
◊ |
C |
x,y,z |
1_555 |
3 |
1 |
14120 |
43.0 |
-21.7 |
0.000 |
0 |
0 |
0 |
0.061 |
58 |
|
[K]C:8007 |
1 |
1 |
216 |
◊ |
D |
x,y,z |
1_555 |
3 |
1 |
14112 |
43.0 |
-21.3 |
0.000 |
0 |
0 |
0 |
0.061 |
59 |
|
[K]E:8016 |
1 |
1 |
216 |
◊ |
F |
x,y,z |
1_555 |
3 |
1 |
14123 |
42.5 |
-21.1 |
0.000 |
0 |
0 |
0 |
0.061 |
60 |
|
[K]F:8022 |
1 |
1 |
216 |
◊ |
E |
x,y,z |
1_555 |
3 |
1 |
14025 |
42.4 |
-20.9 |
0.000 |
0 |
0 |
0 |
0.061 |
| Average: |
43.0 |
-21.3 |
0.000 |
0 |
0 |
0 |
0.061 |
| 17 |
61 |
|
G |
6 |
3 |
14232 |
◊ |
F |
x-1,y,z |
1_455 |
6 |
3 |
14123 |
43.4 |
0.2 |
0.658 |
0 |
1 |
0 |
0.000 |
| 18 |
62 |
|
E |
6 |
2 |
14025 |
◊ |
B |
x-1,y-1,z |
1_445 |
5 |
1 |
14161 |
39.8 |
-0.1 |
0.605 |
0 |
0 |
0 |
0.000 |
| 19 |
63 |
|
[K]H:8023 |
1 |
1 |
216 |
◊ |
G |
x,y,z |
1_555 |
6 |
2 |
14232 |
36.9 |
-20.1 |
0.000 |
0 |
0 |
0 |
0.055 |
64 |
|
[K]D:8012 |
1 |
1 |
216 |
◊ |
C |
x,y,z |
1_555 |
6 |
2 |
14120 |
36.0 |
-19.6 |
0.000 |
0 |
0 |
0 |
0.055 |
65 |
|
[K]E:8024 |
1 |
1 |
216 |
◊ |
F |
x,y,z |
1_555 |
6 |
2 |
14123 |
35.2 |
-19.1 |
0.000 |
0 |
0 |
0 |
0.055 |
66 |
|
[K]G:8021 |
1 |
1 |
216 |
◊ |
H |
x,y,z |
1_555 |
6 |
2 |
14108 |
34.7 |
-18.8 |
0.000 |
0 |
0 |
0 |
0.055 |
67 |
|
[K]F:8010 |
1 |
1 |
216 |
◊ |
E |
x,y,z |
1_555 |
6 |
2 |
14025 |
34.6 |
-18.9 |
0.000 |
0 |
0 |
0 |
0.055 |
68 |
|
[K]C:8014 |
1 |
1 |
216 |
◊ |
D |
x,y,z |
1_555 |
5 |
2 |
14112 |
34.4 |
-18.8 |
0.000 |
0 |
0 |
0 |
0.055 |
69 |
|
[K]A:8011 |
1 |
1 |
216 |
◊ |
B |
x,y,z |
1_555 |
5 |
2 |
14161 |
34.3 |
-18.6 |
0.000 |
0 |
0 |
0 |
0.055 |
70 |
|
[K]B:8015 |
1 |
1 |
216 |
◊ |
A |
x,y,z |
1_555 |
6 |
2 |
14173 |
33.1 |
-18.0 |
0.000 |
0 |
0 |
0 |
0.055 |
| Average: |
34.9 |
-19.0 |
0.000 |
0 |
0 |
0 |
0.055 |
| 20 |
71 |
|
G |
5 |
2 |
14232 |
◊ |
B |
x-1,y-1,z |
1_445 |
4 |
2 |
14161 |
28.1 |
0.5 |
0.798 |
0 |
0 |
0 |
0.000 |
| 21 |
72 |
|
C |
1 |
1 |
14120 |
◊ |
F |
x-1,y,z-1 |
1_454 |
2 |
1 |
14123 |
10.9 |
0.3 |
0.797 |
0 |
0 |
0 |
0.000 |
| 22 |
73 |
|
E |
1 |
1 |
14025 |
◊ |
B |
x,y-1,z |
1_545 |
1 |
1 |
14161 |
4.6 |
0.3 |
0.868 |
0 |
0 |
0 |
0.000 |
74 |
|
E |
1 |
1 |
14025 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
14161 |
0.3 |
-0.0 |
0.617 |
0 |
0 |
0 |
0.000 |
| Average: |
2.5 |
0.2 |
0.743 |
0 |
0 |
0 |
0.000 |
| 23 |
75 |
|
H |
1 |
1 |
14108 |
◊ |
A |
x,y-1,z |
1_545 |
1 |
1 |
14173 |
1.9 |
-0.1 |
0.485 |
0 |
0 |
0 |
0.000 |
76 |
|
H |
1 |
1 |
14108 |
◊ |
A |
x,y-1,z+1 |
1_546 |
1 |
1 |
14173 |
1.7 |
-0.1 |
0.496 |
0 |
0 |
0 |
0.000 |
77 |
|
F |
1 |
1 |
14123 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
14120 |
1.3 |
-0.0 |
0.522 |
0 |
0 |
0 |
0.000 |
| Average: |
1.6 |
-0.1 |
0.501 |
0 |
0 |
0 |
0.000 |
|