| ## |
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 |
|
F |
89 |
22 |
9188 |
◊ |
D |
x,y,z |
1_555 |
104 |
28 |
9289 |
1017.5 |
-21.0 |
0.020 |
7 |
4 |
0 |
0.282 |
2 |
|
C |
83 |
23 |
9221 |
◊ |
A |
x,y,z |
1_555 |
105 |
28 |
9286 |
993.6 |
-20.5 |
0.013 |
7 |
4 |
0 |
0.282 |
| Average: |
1005.5 |
-20.8 |
0.017 |
7 |
4 |
0 |
0.282 |
| 2 |
3 |
|
F |
99 |
31 |
9188 |
◊ |
E |
x,y,z |
1_555 |
92 |
21 |
9120 |
1008.0 |
-18.9 |
0.037 |
7 |
5 |
0 |
0.312 |
4 |
|
E |
108 |
28 |
9120 |
◊ |
D |
x,y,z |
1_555 |
88 |
21 |
9289 |
992.1 |
-19.2 |
0.040 |
6 |
4 |
0 |
0.312 |
5 |
|
B |
106 |
28 |
9205 |
◊ |
A |
x,y,z |
1_555 |
87 |
21 |
9286 |
986.3 |
-20.1 |
0.015 |
7 |
2 |
0 |
0.312 |
6 |
|
C |
104 |
30 |
9221 |
◊ |
B |
x,y,z |
1_555 |
92 |
21 |
9205 |
952.3 |
-21.1 |
0.015 |
7 |
2 |
0 |
0.312 |
| Average: |
984.7 |
-19.8 |
0.027 |
7 |
3 |
0 |
0.312 |
| 3 |
7 |
|
A |
44 |
14 |
9286 |
◊ |
B |
x,y,z-1 |
1_554 |
50 |
16 |
9205 |
388.9 |
-0.3 |
0.762 |
4 |
1 |
0 |
0.020 |
8 |
|
D |
41 |
14 |
9289 |
◊ |
E |
x-1,y,z |
1_455 |
49 |
16 |
9120 |
376.3 |
-0.2 |
0.786 |
4 |
1 |
0 |
0.020 |
| Average: |
382.6 |
-0.2 |
0.774 |
4 |
1 |
0 |
0.020 |
| 4 |
9 |
|
B |
32 |
12 |
9205 |
◊ |
C |
x-1,y,z |
1_455 |
32 |
11 |
9221 |
275.6 |
2.5 |
0.887 |
3 |
0 |
0 |
0.000 |
10 |
|
E |
26 |
9 |
9120 |
◊ |
F |
x,y,z-1 |
1_554 |
27 |
12 |
9188 |
246.3 |
1.1 |
0.802 |
2 |
0 |
0 |
0.000 |
| Average: |
261.0 |
1.8 |
0.844 |
3 |
0 |
0 |
0.000 |
| 5 |
11 |
|
A |
24 |
8 |
9286 |
◊ |
F |
x,y,z-1 |
1_554 |
21 |
7 |
9188 |
204.7 |
1.5 |
0.831 |
4 |
0 |
0 |
0.000 |
12 |
|
D |
24 |
7 |
9289 |
◊ |
C |
x-1,y,z |
1_455 |
21 |
7 |
9221 |
204.7 |
1.5 |
0.840 |
4 |
0 |
0 |
0.000 |
| Average: |
204.7 |
1.5 |
0.836 |
4 |
0 |
0 |
0.000 |
| 6 |
13 |
|
A |
24 |
10 |
9286 |
◊ |
C |
x-1,y,z-1 |
1_454 |
15 |
6 |
9221 |
185.9 |
1.0 |
0.794 |
3 |
0 |
0 |
0.000 |
14 |
|
D |
21 |
10 |
9289 |
◊ |
F |
x-1,y,z-1 |
1_454 |
10 |
5 |
9188 |
156.3 |
0.4 |
0.743 |
2 |
0 |
0 |
0.000 |
| Average: |
171.1 |
0.7 |
0.769 |
3 |
0 |
0 |
0.000 |
| 7 |
15 |
|
[MAN]B:20 |
12 |
1 |
296 |
◊ |
B |
x,y,z |
1_555 |
14 |
7 |
9205 |
134.2 |
2.3 |
0.264 |
5 |
0 |
0 |
0.026 |
16 |
|
[MAN]E:50 |
11 |
1 |
298 |
◊ |
E |
x,y,z |
1_555 |
16 |
7 |
9120 |
128.8 |
1.6 |
0.278 |
5 |
0 |
0 |
0.026 |
| Average: |
131.5 |
1.9 |
0.271 |
5 |
0 |
0 |
0.026 |
| 8 |
17 |
|
B |
13 |
3 |
9205 |
◊ |
F |
-x+2,y-1/2,-z+2 |
2_747 |
12 |
3 |
9188 |
131.7 |
-0.8 |
0.555 |
3 |
0 |
0 |
0.000 |
18 |
|
A |
11 |
3 |
9286 |
◊ |
D |
-x+2,y-1/2,-z+2 |
2_747 |
10 |
3 |
9289 |
126.3 |
0.5 |
0.752 |
4 |
3 |
0 |
0.000 |
19 |
|
C |
12 |
3 |
9221 |
◊ |
E |
-x+2,y-1/2,-z+2 |
2_747 |
10 |
3 |
9120 |
115.4 |
-1.0 |
0.468 |
3 |
1 |
0 |
0.000 |
| Average: |
124.5 |
-0.4 |
0.592 |
3 |
1 |
0 |
0.000 |
| 9 |
20 |
|
[MAN]F:19 |
11 |
1 |
292 |
◊ |
F |
x,y,z |
1_555 |
16 |
7 |
9188 |
131.7 |
2.0 |
0.253 |
1 |
0 |
0 |
0.000 |
21 |
|
[MAN]C:39 |
11 |
1 |
292 |
◊ |
C |
x,y,z |
1_555 |
18 |
7 |
9221 |
124.9 |
2.3 |
0.227 |
2 |
0 |
0 |
0.000 |
| Average: |
128.3 |
2.2 |
0.240 |
2 |
0 |
0 |
0.000 |
| 10 |
22 |
|
D |
15 |
7 |
9289 |
◊ |
[MAN]C:37 |
x-1,y,z |
1_455 |
10 |
1 |
287 |
127.5 |
2.7 |
0.340 |
5 |
0 |
0 |
0.000 |
| 11 |
23 |
|
E |
13 |
5 |
9120 |
◊ |
B |
x,y,z |
1_555 |
13 |
5 |
9205 |
125.4 |
0.5 |
0.700 |
1 |
2 |
0 |
0.000 |
| 12 |
24 |
|
A |
11 |
6 |
9286 |
◊ |
[MAN]F:17 |
x,y,z-1 |
1_554 |
10 |
1 |
293 |
118.6 |
2.2 |
0.308 |
2 |
0 |
0 |
0.000 |
| 13 |
25 |
|
[MAN]F:16 |
7 |
1 |
289 |
◊ |
F |
x,y,z |
1_555 |
11 |
6 |
9188 |
81.9 |
1.4 |
0.316 |
1 |
0 |
0 |
0.000 |
| 14 |
26 |
|
[MAN]C:36 |
7 |
1 |
289 |
◊ |
C |
x,y,z |
1_555 |
7 |
3 |
9221 |
74.1 |
2.2 |
0.335 |
2 |
0 |
0 |
0.000 |
| 15 |
27 |
|
[MAN]C:35 |
8 |
1 |
294 |
cf |
[MAN]C:34 |
x,y,z |
1_555 |
6 |
1 |
303 |
66.5 |
2.0 |
0.154 |
0 |
0 |
0 |
0.000 |
| 16 |
28 |
|
[MAN]F:18 |
8 |
1 |
293 |
cf |
[MAN]F:15 |
x,y,z |
1_555 |
6 |
1 |
292 |
65.7 |
3.0 |
0.192 |
0 |
0 |
0 |
0.000 |
| 17 |
29 |
|
[MAN]F:19 |
6 |
1 |
292 |
cf |
[MAN]F:16 |
x,y,z |
1_555 |
8 |
1 |
289 |
65.6 |
3.1 |
0.209 |
0 |
0 |
0 |
0.000 |
| 18 |
30 |
|
[MAN]C:38 |
8 |
1 |
292 |
cf |
[MAN]C:35 |
x,y,z |
1_555 |
6 |
1 |
294 |
65.2 |
3.1 |
0.208 |
0 |
0 |
0 |
0.000 |
| 19 |
31 |
|
[MAN]C:39 |
6 |
1 |
292 |
cf |
[MAN]C:36 |
x,y,z |
1_555 |
8 |
1 |
289 |
60.5 |
2.9 |
0.154 |
0 |
0 |
0 |
0.000 |
| 20 |
32 |
|
[MAN]F:15 |
7 |
1 |
292 |
cf |
[MAN]F:14 |
x,y,z |
1_555 |
4 |
1 |
302 |
57.3 |
2.3 |
0.243 |
0 |
0 |
0 |
0.000 |
| 21 |
33 |
|
[MAN]F:17 |
6 |
1 |
293 |
cf |
[MAN]F:15 |
x,y,z |
1_555 |
5 |
1 |
292 |
56.3 |
2.6 |
0.274 |
0 |
0 |
0 |
0.000 |
| 22 |
34 |
|
[MAN]C:36 |
6 |
1 |
289 |
cf |
[MAN]C:34 |
x,y,z |
1_555 |
5 |
1 |
303 |
55.9 |
2.4 |
0.249 |
0 |
0 |
0 |
0.000 |
| 23 |
35 |
|
[MAN]C:37 |
6 |
1 |
287 |
cf |
[MAN]C:35 |
x,y,z |
1_555 |
4 |
1 |
294 |
55.6 |
2.3 |
0.269 |
0 |
0 |
0 |
0.000 |
| 24 |
36 |
|
[MAN]F:16 |
5 |
1 |
289 |
cf |
[MAN]F:14 |
x,y,z |
1_555 |
5 |
1 |
302 |
55.1 |
2.2 |
0.244 |
0 |
0 |
0 |
0.000 |
| 25 |
37 |
|
[MAN]F:17 |
5 |
1 |
293 |
f |
[MAN]F:14 |
x,y,z |
1_555 |
6 |
1 |
302 |
51.6 |
1.3 |
0.171 |
0 |
0 |
0 |
0.000 |
| 26 |
38 |
|
[MAN]C:37 |
5 |
1 |
287 |
f |
[MAN]C:34 |
x,y,z |
1_555 |
5 |
1 |
303 |
46.3 |
1.3 |
0.187 |
0 |
0 |
0 |
0.000 |
| 27 |
39 |
|
[CA]C:303 |
1 |
1 |
85 |
f |
C |
x,y,z |
1_555 |
8 |
5 |
9221 |
42.9 |
-9.3 |
0.000 |
0 |
0 |
0 |
0.386 |
40 |
|
[CA]D:403 |
1 |
1 |
85 |
f |
D |
x,y,z |
1_555 |
8 |
5 |
9289 |
42.5 |
-8.9 |
0.000 |
0 |
0 |
0 |
0.386 |
41 |
|
[CA]F:603 |
1 |
1 |
85 |
f |
F |
x,y,z |
1_555 |
6 |
4 |
9188 |
42.4 |
-9.4 |
0.000 |
0 |
0 |
0 |
0.386 |
42 |
|
[CA]E:503 |
1 |
1 |
85 |
f |
E |
x,y,z |
1_555 |
5 |
3 |
9120 |
42.0 |
-9.2 |
0.000 |
0 |
0 |
0 |
0.386 |
43 |
|
[CA]A:224 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
11 |
6 |
9286 |
41.5 |
-9.0 |
0.000 |
0 |
0 |
0 |
0.386 |
44 |
|
[CA]B:224 |
1 |
1 |
85 |
f |
B |
x,y,z |
1_555 |
9 |
6 |
9205 |
40.6 |
-8.4 |
0.000 |
0 |
0 |
0 |
0.386 |
| Average: |
42.0 |
-9.0 |
0.000 |
0 |
0 |
0 |
0.386 |
| 28 |
45 |
|
[CA]D:401 |
1 |
1 |
85 |
f |
D |
x,y,z |
1_555 |
7 |
5 |
9289 |
42.1 |
-12.1 |
0.000 |
0 |
0 |
0 |
0.273 |
46 |
|
[CA]A:222 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
8 |
6 |
9286 |
40.5 |
-11.9 |
0.000 |
0 |
0 |
0 |
0.273 |
47 |
|
[CA]F:601 |
1 |
1 |
85 |
f |
F |
x,y,z |
1_555 |
7 |
6 |
9188 |
40.3 |
-11.9 |
0.000 |
0 |
0 |
0 |
0.273 |
48 |
|
[CA]C:301 |
1 |
1 |
85 |
f |
C |
x,y,z |
1_555 |
5 |
5 |
9221 |
40.3 |
-11.8 |
0.000 |
0 |
0 |
0 |
0.273 |
| Average: |
40.8 |
-11.9 |
0.000 |
0 |
0 |
0 |
0.273 |
| 29 |
49 |
|
C |
3 |
2 |
9221 |
◊ |
D |
-x+2,y-1/2,-z+2 |
2_747 |
3 |
1 |
9289 |
40.2 |
-1.3 |
0.144 |
0 |
0 |
0 |
0.000 |
50 |
|
A |
3 |
1 |
9286 |
◊ |
F |
-x+2,y-1/2,-z+2 |
2_747 |
3 |
1 |
9188 |
22.0 |
-0.7 |
0.326 |
0 |
0 |
0 |
0.000 |
| Average: |
31.1 |
-1.0 |
0.235 |
0 |
0 |
0 |
0.000 |
| 30 |
51 |
|
B |
1 |
1 |
9205 |
◊ |
E |
-x+2,y-1/2,-z+2 |
2_747 |
2 |
1 |
9120 |
34.0 |
-1.1 |
0.072 |
0 |
0 |
0 |
0.000 |
| 31 |
52 |
|
[MAN]F:18 |
4 |
1 |
293 |
f |
[MAN]F:14 |
x,y,z |
1_555 |
3 |
1 |
302 |
33.6 |
0.8 |
0.224 |
1 |
0 |
0 |
0.000 |
| 32 |
53 |
|
[CA]E:502 |
1 |
1 |
85 |
f |
E |
x,y,z |
1_555 |
10 |
6 |
9120 |
32.6 |
-8.7 |
0.000 |
0 |
0 |
0 |
0.391 |
54 |
|
[CA]C:302 |
1 |
1 |
85 |
f |
C |
x,y,z |
1_555 |
9 |
5 |
9221 |
32.1 |
-8.0 |
0.000 |
0 |
0 |
0 |
0.391 |
55 |
|
[CA]B:223 |
1 |
1 |
85 |
f |
B |
x,y,z |
1_555 |
7 |
4 |
9205 |
31.9 |
-8.7 |
0.000 |
0 |
0 |
0 |
0.391 |
56 |
|
[CA]F:602 |
1 |
1 |
85 |
f |
F |
x,y,z |
1_555 |
7 |
5 |
9188 |
31.7 |
-8.4 |
0.000 |
0 |
0 |
0 |
0.391 |
57 |
|
[CA]D:402 |
1 |
1 |
85 |
f |
D |
x,y,z |
1_555 |
6 |
4 |
9289 |
31.5 |
-8.6 |
0.000 |
0 |
0 |
0 |
0.391 |
58 |
|
[CA]A:223 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
6 |
4 |
9286 |
31.4 |
-8.9 |
0.000 |
0 |
0 |
0 |
0.391 |
| Average: |
31.9 |
-8.5 |
0.000 |
0 |
0 |
0 |
0.391 |
| 33 |
59 |
|
A |
4 |
2 |
9286 |
◊ |
[MAN]F:15 |
x,y,z-1 |
1_554 |
2 |
1 |
292 |
32.5 |
1.2 |
0.645 |
0 |
0 |
0 |
0.000 |
| 34 |
60 |
|
D |
6 |
2 |
9289 |
◊ |
[MAN]C:35 |
x-1,y,z |
1_455 |
2 |
1 |
294 |
32.3 |
1.1 |
0.681 |
0 |
0 |
0 |
0.000 |
| 35 |
61 |
|
[MAN]C:38 |
5 |
1 |
292 |
f |
[MAN]C:34 |
x,y,z |
1_555 |
5 |
1 |
303 |
28.7 |
0.9 |
0.138 |
1 |
0 |
0 |
0.000 |
| 36 |
62 |
|
[MAN]C:39 |
4 |
1 |
292 |
◊ |
[CA]C:302 |
x,y,z |
1_555 |
1 |
1 |
85 |
27.3 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.167 |
63 |
|
[MAN]F:19 |
3 |
1 |
292 |
◊ |
[CA]F:602 |
x,y,z |
1_555 |
1 |
1 |
85 |
26.7 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.167 |
64 |
|
[CA]D:402 |
1 |
1 |
85 |
◊ |
[MAN]C:37 |
x-1,y,z |
1_455 |
3 |
1 |
287 |
26.2 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.167 |
65 |
|
[MAN]E:50 |
4 |
1 |
298 |
◊ |
[CA]E:502 |
x,y,z |
1_555 |
1 |
1 |
85 |
25.5 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.167 |
66 |
|
[CA]A:223 |
1 |
1 |
85 |
◊ |
[MAN]F:17 |
x,y,z-1 |
1_554 |
3 |
1 |
293 |
25.1 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.167 |
| Average: |
26.1 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.167 |
| 37 |
67 |
|
[MAN]B:20 |
3 |
1 |
296 |
◊ |
[CA]B:223 |
x,y,z |
1_555 |
1 |
1 |
85 |
25.9 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.170 |
| 38 |
68 |
|
D |
5 |
3 |
9289 |
◊ |
[MAN]C:36 |
x-1,y,z |
1_455 |
3 |
1 |
289 |
23.7 |
-0.1 |
0.246 |
0 |
0 |
0 |
0.000 |
| 39 |
69 |
|
[MAN]C:39 |
3 |
1 |
292 |
f |
[MAN]C:34 |
x,y,z |
1_555 |
2 |
1 |
303 |
18.0 |
0.5 |
0.265 |
0 |
0 |
0 |
0.000 |
| 40 |
70 |
|
[MAN]F:19 |
1 |
1 |
292 |
f |
[MAN]F:14 |
x,y,z |
1_555 |
2 |
1 |
302 |
14.4 |
0.5 |
0.438 |
0 |
0 |
0 |
0.000 |
| 41 |
71 |
|
[CA]D:403 |
1 |
1 |
85 |
◊ |
E |
x-1,y,z |
1_455 |
3 |
2 |
9120 |
11.6 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.016 |
72 |
|
[CA]A:224 |
1 |
1 |
85 |
◊ |
B |
x,y,z-1 |
1_554 |
2 |
2 |
9205 |
10.4 |
-1.5 |
0.000 |
0 |
0 |
0 |
0.016 |
| Average: |
11.0 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.016 |
| 42 |
73 |
|
A |
2 |
2 |
9286 |
◊ |
[MAN]F:16 |
x,y,z-1 |
1_554 |
2 |
1 |
289 |
7.4 |
-0.0 |
0.406 |
0 |
0 |
0 |
0.000 |
| 43 |
74 |
|
[CA]A:224 |
1 |
1 |
85 |
f |
[CA]A:222 |
x,y,z |
1_555 |
1 |
1 |
85 |
7.4 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.026 |
| 44 |
75 |
|
[CA]F:603 |
1 |
1 |
85 |
f |
[CA]F:601 |
x,y,z |
1_555 |
1 |
1 |
85 |
7.3 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.025 |
| 45 |
76 |
|
[CA]C:303 |
1 |
1 |
85 |
f |
[CA]C:301 |
x,y,z |
1_555 |
1 |
1 |
85 |
6.7 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.023 |
| 46 |
77 |
|
[CA]D:403 |
1 |
1 |
85 |
f |
[CA]D:401 |
x,y,z |
1_555 |
1 |
1 |
85 |
4.9 |
-1.5 |
0.000 |
0 |
0 |
0 |
0.017 |
| 47 |
78 |
|
[CA]B:224 |
1 |
1 |
85 |
f |
[CA]B:222 |
x,y,z |
1_555 |
1 |
1 |
85 |
4.9 |
-1.5 |
0.000 |
0 |
0 |
0 |
0.065 |
| 48 |
79 |
|
[CA]E:503 |
1 |
1 |
85 |
f |
[CA]E:501 |
x,y,z |
1_555 |
1 |
1 |
85 |
4.6 |
-1.4 |
0.000 |
0 |
0 |
0 |
0.058 |
| 49 |
80 |
|
[CA]B:224 |
1 |
1 |
85 |
◊ |
C |
x-1,y,z |
1_455 |
1 |
1 |
9221 |
3.2 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.000 |
| 50 |
81 |
|
C |
1 |
1 |
9221 |
◊ |
F |
x,y,z-1 |
1_554 |
1 |
1 |
9188 |
1.6 |
0.0 |
0.622 |
0 |
0 |
0 |
0.000 |
| 51 |
82 |
|
A |
1 |
1 |
9286 |
◊ |
[MAN]F:14 |
x,y,z-1 |
1_554 |
1 |
1 |
302 |
0.5 |
0.0 |
0.343 |
0 |
0 |
0 |
0.000 |
| 52 |
83 |
|
D |
1 |
1 |
9289 |
◊ |
[MAN]C:39 |
x-1,y,z |
1_455 |
1 |
1 |
292 |
0.4 |
0.0 |
0.333 |
0 |
0 |
0 |
0.000 |
| 53 |
84 |
|
D |
1 |
1 |
9289 |
◊ |
[MAN]C:34 |
x-1,y,z |
1_455 |
1 |
1 |
303 |
0.2 |
0.0 |
0.346 |
0 |
0 |
0 |
0.000 |
|