| ## |
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 |
|
2 |
102 |
28 |
9456 |
◊ |
1 |
x,y,z |
1_555 |
91 |
23 |
9331 |
1005.1 |
-21.1 |
0.019 |
6 |
3 |
0 |
0.343 |
2 |
|
3 |
109 |
28 |
9332 |
◊ |
2 |
x,y,z |
1_555 |
86 |
20 |
9456 |
1004.6 |
-20.7 |
0.020 |
7 |
3 |
0 |
0.343 |
3 |
|
3 |
88 |
21 |
9332 |
◊ |
1 |
x,y,z |
1_555 |
102 |
28 |
9331 |
1000.2 |
-22.1 |
0.010 |
8 |
4 |
0 |
0.343 |
| Average: |
1003.3 |
-21.3 |
0.016 |
7 |
3 |
0 |
0.343 |
| 2 |
4 |
|
1 |
35 |
13 |
9331 |
◊ |
2 |
-x+1/2,y-1/2,-z |
4_545 |
33 |
13 |
9456 |
291.2 |
-0.7 |
0.687 |
3 |
0 |
0 |
0.000 |
| 3 |
5 |
|
1 |
34 |
9 |
9331 |
◊ |
3 |
x-1/2,y-1/2,z |
3_445 |
33 |
10 |
9332 |
288.6 |
0.9 |
0.812 |
4 |
3 |
0 |
0.000 |
6 |
|
2 |
31 |
10 |
9456 |
◊ |
1 |
x-1/2,y+1/2,z |
3_455 |
31 |
9 |
9331 |
266.4 |
0.4 |
0.789 |
2 |
2 |
0 |
0.000 |
| Average: |
277.5 |
0.7 |
0.801 |
3 |
3 |
0 |
0.000 |
| 4 |
7 |
|
3 |
23 |
7 |
9332 |
x |
3 |
x-1/2,y-1/2,z |
3_445 |
31 |
11 |
9332 |
242.4 |
-0.3 |
0.711 |
3 |
0 |
0 |
0.000 |
8 |
|
1 |
25 |
7 |
9331 |
x |
1 |
x-1/2,y+1/2,z |
3_455 |
27 |
9 |
9331 |
216.3 |
-0.2 |
0.689 |
3 |
0 |
0 |
0.000 |
| Average: |
229.4 |
-0.3 |
0.700 |
3 |
0 |
0 |
0.000 |
| 5 |
9 |
|
[GOL]1:7 |
6 |
1 |
218 |
f |
1 |
x,y,z |
1_555 |
20 |
8 |
9331 |
120.9 |
-0.9 |
0.553 |
3 |
0 |
0 |
0.010 |
| 6 |
10 |
|
3 |
12 |
3 |
9332 |
◊ |
3 |
-x,y,-z+1 |
2_556 |
12 |
3 |
9332 |
120.5 |
-0.4 |
0.594 |
2 |
2 |
0 |
0.000 |
11 |
|
2 |
10 |
3 |
9456 |
◊ |
1 |
-x,y,-z+1 |
2_556 |
11 |
3 |
9331 |
117.6 |
-0.4 |
0.599 |
2 |
1 |
0 |
0.000 |
| Average: |
119.0 |
-0.4 |
0.596 |
2 |
2 |
0 |
0.000 |
| 7 |
12 |
|
[GOL]1:15 |
6 |
1 |
221 |
f |
1 |
x,y,z |
1_555 |
19 |
7 |
9331 |
116.8 |
-1.1 |
0.520 |
1 |
0 |
0 |
0.007 |
| 8 |
13 |
|
[GOL]2:8 |
6 |
1 |
217 |
f |
2 |
x,y,z |
1_555 |
19 |
6 |
9456 |
111.4 |
-1.0 |
0.529 |
2 |
0 |
0 |
0.009 |
| 9 |
14 |
|
[GOL]3:6 |
6 |
1 |
216 |
◊ |
3 |
x,y,z |
1_555 |
19 |
8 |
9332 |
109.7 |
-0.7 |
0.552 |
0 |
0 |
0 |
0.003 |
| 10 |
15 |
|
[GOL]2:5 |
6 |
1 |
218 |
f |
2 |
x,y,z |
1_555 |
23 |
9 |
9456 |
107.8 |
-1.0 |
0.535 |
1 |
0 |
0 |
0.007 |
| 11 |
16 |
|
[GOL]1:223 |
6 |
1 |
216 |
◊ |
1 |
x,y,z |
1_555 |
18 |
8 |
9331 |
107.3 |
-1.1 |
0.549 |
0 |
0 |
0 |
0.005 |
| 12 |
17 |
|
[GOL]3:222 |
6 |
1 |
220 |
◊ |
3 |
x,y,z |
1_555 |
14 |
6 |
9332 |
106.6 |
0.8 |
0.747 |
9 |
0 |
0 |
0.000 |
| 13 |
18 |
|
[GOL]1:222 |
6 |
1 |
220 |
f |
1 |
x,y,z |
1_555 |
15 |
6 |
9331 |
105.1 |
0.5 |
0.691 |
7 |
0 |
0 |
0.012 |
| 14 |
19 |
|
[GOL]2:222 |
6 |
1 |
218 |
◊ |
2 |
x,y,z |
1_555 |
14 |
6 |
9456 |
104.5 |
0.8 |
0.752 |
6 |
0 |
0 |
0.000 |
| 15 |
20 |
|
2 |
10 |
4 |
9456 |
◊ |
2 |
-x,y,-z |
2_555 |
9 |
3 |
9456 |
102.0 |
-2.0 |
0.313 |
0 |
0 |
0 |
0.000 |
| 16 |
21 |
|
[GOL]1:14 |
6 |
1 |
220 |
f |
1 |
x,y,z |
1_555 |
12 |
5 |
9331 |
99.0 |
1.2 |
0.792 |
2 |
0 |
0 |
0.000 |
| 17 |
22 |
|
[GOL]1:11 |
6 |
1 |
221 |
◊ |
3 |
x-1/2,y-1/2,z |
3_445 |
10 |
3 |
9332 |
83.2 |
-0.0 |
0.528 |
1 |
0 |
0 |
0.000 |
| 18 |
23 |
|
[GOL]1:11 |
6 |
1 |
221 |
f |
1 |
x,y,z |
1_555 |
8 |
4 |
9331 |
75.3 |
-0.9 |
0.373 |
0 |
0 |
0 |
0.004 |
| 19 |
24 |
|
[GOL]1:9 |
5 |
1 |
219 |
f |
1 |
x,y,z |
1_555 |
8 |
3 |
9331 |
74.6 |
-0.2 |
0.538 |
3 |
0 |
0 |
0.007 |
| 20 |
25 |
|
[GOL]3:12 |
4 |
1 |
220 |
f |
3 |
x,y,z |
1_555 |
9 |
4 |
9332 |
71.5 |
-0.4 |
0.497 |
1 |
0 |
0 |
0.004 |
| 21 |
26 |
|
[CL]3:4 |
1 |
1 |
125 |
f |
3 |
x,y,z |
1_555 |
15 |
6 |
9332 |
69.4 |
-10.5 |
0.000 |
0 |
0 |
0 |
0.146 |
27 |
|
[CL]1:4 |
1 |
1 |
125 |
f |
1 |
x,y,z |
1_555 |
14 |
6 |
9331 |
69.3 |
-10.7 |
0.000 |
0 |
0 |
0 |
0.146 |
28 |
|
[CL]2:4 |
1 |
1 |
125 |
f |
2 |
x,y,z |
1_555 |
14 |
6 |
9456 |
67.9 |
-10.6 |
0.000 |
0 |
0 |
0 |
0.146 |
| Average: |
68.9 |
-10.6 |
0.000 |
0 |
0 |
0 |
0.146 |
| 22 |
29 |
|
[GOL]1:10 |
5 |
1 |
218 |
◊ |
2 |
x,y,z |
1_555 |
9 |
3 |
9456 |
67.9 |
0.6 |
0.700 |
0 |
0 |
0 |
0.000 |
| 23 |
30 |
|
[GOL]1:13 |
5 |
1 |
219 |
f |
1 |
x,y,z |
1_555 |
8 |
5 |
9331 |
62.8 |
-0.8 |
0.429 |
0 |
0 |
0 |
0.003 |
| 24 |
31 |
|
[GOL]1:10 |
4 |
1 |
218 |
◊ |
1 |
x-1/2,y+1/2,z |
3_455 |
12 |
7 |
9331 |
56.5 |
1.0 |
0.746 |
2 |
0 |
0 |
0.000 |
| 25 |
32 |
|
[GOL]1:10 |
5 |
1 |
218 |
f |
1 |
x,y,z |
1_555 |
6 |
2 |
9331 |
50.1 |
0.3 |
0.637 |
2 |
0 |
0 |
0.003 |
| 26 |
33 |
|
[GOL]1:9 |
3 |
1 |
219 |
◊ |
1 |
x-1/2,y+1/2,z |
3_455 |
7 |
4 |
9331 |
44.0 |
-0.5 |
0.507 |
0 |
0 |
0 |
0.000 |
| 27 |
34 |
|
[CA]2:3 |
1 |
1 |
85 |
f |
2 |
x,y,z |
1_555 |
10 |
5 |
9456 |
42.0 |
-8.8 |
0.000 |
0 |
0 |
0 |
0.093 |
35 |
|
[CA]3:3 |
1 |
1 |
85 |
f |
3 |
x,y,z |
1_555 |
10 |
6 |
9332 |
34.6 |
-6.6 |
0.000 |
0 |
0 |
0 |
0.093 |
36 |
|
[CA]1:3 |
1 |
1 |
85 |
f |
1 |
x,y,z |
1_555 |
11 |
6 |
9331 |
26.7 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.093 |
| Average: |
34.4 |
-6.7 |
0.000 |
0 |
0 |
0 |
0.093 |
| 28 |
37 |
|
[GOL]1:223 |
4 |
1 |
216 |
◊ |
[GOL]1:15 |
x,y,z |
1_555 |
4 |
1 |
221 |
41.0 |
0.2 |
0.594 |
1 |
0 |
0 |
0.000 |
| 29 |
38 |
|
[CA]1:1 |
1 |
1 |
85 |
f |
1 |
x,y,z |
1_555 |
5 |
5 |
9331 |
39.1 |
-11.5 |
0.000 |
0 |
0 |
0 |
0.158 |
39 |
|
[CA]2:1 |
1 |
1 |
85 |
f |
2 |
x,y,z |
1_555 |
5 |
5 |
9456 |
38.5 |
-11.5 |
0.000 |
0 |
0 |
0 |
0.158 |
40 |
|
[CA]3:1 |
1 |
1 |
85 |
f |
3 |
x,y,z |
1_555 |
4 |
4 |
9332 |
38.5 |
-11.4 |
0.000 |
0 |
0 |
0 |
0.158 |
| Average: |
38.7 |
-11.5 |
0.000 |
0 |
0 |
0 |
0.158 |
| 30 |
41 |
|
[GOL]1:223 |
4 |
1 |
216 |
f |
3 |
x,y,z |
1_555 |
2 |
2 |
9332 |
35.7 |
-1.1 |
0.234 |
0 |
0 |
0 |
0.005 |
| 31 |
42 |
|
[GOL]2:5 |
5 |
1 |
218 |
◊ |
1 |
x,y,z |
1_555 |
3 |
2 |
9331 |
34.6 |
-0.7 |
0.289 |
0 |
0 |
0 |
0.003 |
| 32 |
43 |
|
[GOL]1:222 |
6 |
1 |
220 |
f |
[GOL]1:14 |
x,y,z |
1_555 |
4 |
1 |
220 |
34.4 |
-0.5 |
0.524 |
1 |
0 |
0 |
0.004 |
| 33 |
44 |
|
[GOL]2:8 |
2 |
1 |
217 |
◊ |
3 |
x,y,z |
1_555 |
3 |
3 |
9332 |
33.7 |
-0.5 |
0.502 |
0 |
0 |
0 |
0.002 |
| 34 |
45 |
|
[CA]1:2 |
1 |
1 |
85 |
f |
1 |
x,y,z |
1_555 |
8 |
5 |
9331 |
31.9 |
-8.7 |
0.000 |
0 |
0 |
0 |
0.118 |
46 |
|
[CA]3:2 |
1 |
1 |
85 |
f |
3 |
x,y,z |
1_555 |
8 |
5 |
9332 |
31.2 |
-8.6 |
0.000 |
0 |
0 |
0 |
0.118 |
47 |
|
[CA]2:2 |
1 |
1 |
85 |
f |
2 |
x,y,z |
1_555 |
8 |
5 |
9456 |
31.1 |
-8.4 |
0.000 |
0 |
0 |
0 |
0.118 |
| Average: |
31.4 |
-8.6 |
0.000 |
0 |
0 |
0 |
0.118 |
| 35 |
48 |
|
[GOL]3:6 |
3 |
1 |
216 |
f |
2 |
x,y,z |
1_555 |
1 |
1 |
9456 |
28.8 |
-0.8 |
0.194 |
0 |
0 |
0 |
0.004 |
| 36 |
49 |
|
3 |
2 |
1 |
9332 |
◊ |
2 |
-x,y,-z+1 |
2_556 |
1 |
1 |
9456 |
26.6 |
-0.9 |
0.111 |
0 |
0 |
0 |
0.000 |
50 |
|
1 |
4 |
1 |
9331 |
◊ |
1 |
-x,y,-z+1 |
2_556 |
4 |
1 |
9331 |
8.3 |
-0.3 |
0.545 |
0 |
0 |
0 |
0.000 |
| Average: |
17.5 |
-0.6 |
0.328 |
0 |
0 |
0 |
0.000 |
| 37 |
51 |
|
[GOL]2:222 |
3 |
1 |
218 |
◊ |
[CA]2:2 |
x,y,z |
1_555 |
1 |
1 |
85 |
26.5 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.000 |
52 |
|
[GOL]3:222 |
4 |
1 |
220 |
◊ |
[CA]3:2 |
x,y,z |
1_555 |
1 |
1 |
85 |
26.4 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.000 |
53 |
|
[GOL]1:10 |
3 |
1 |
218 |
◊ |
[CA]1:3 |
x-1/2,y+1/2,z |
3_455 |
1 |
1 |
85 |
22.8 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.000 |
| Average: |
25.2 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.000 |
| 38 |
54 |
|
[GOL]1:222 |
3 |
1 |
220 |
f |
[CA]1:2 |
x,y,z |
1_555 |
1 |
1 |
85 |
24.6 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.017 |
| 39 |
55 |
|
3 |
3 |
2 |
9332 |
◊ |
[CA]3:3 |
x-1/2,y-1/2,z |
3_445 |
1 |
1 |
85 |
22.7 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.000 |
56 |
|
1 |
3 |
2 |
9331 |
◊ |
[CA]1:3 |
x-1/2,y+1/2,z |
3_455 |
1 |
1 |
85 |
19.4 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.000 |
| Average: |
21.1 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.000 |
| 40 |
57 |
|
[GOL]1:222 |
1 |
1 |
220 |
f |
[GOL]1:13 |
x,y,z |
1_555 |
3 |
1 |
219 |
22.6 |
0.5 |
0.559 |
1 |
0 |
0 |
0.000 |
| 41 |
58 |
|
[GOL]1:7 |
2 |
1 |
218 |
◊ |
3 |
x-1/2,y-1/2,z |
3_445 |
1 |
1 |
9332 |
14.1 |
-0.5 |
0.330 |
0 |
0 |
0 |
0.000 |
| 42 |
59 |
|
[GOL]2:8 |
2 |
1 |
217 |
f |
[GOL]2:5 |
x,y,z |
1_555 |
1 |
1 |
218 |
12.9 |
-0.1 |
0.540 |
0 |
0 |
0 |
0.000 |
| 43 |
60 |
|
3 |
2 |
1 |
9332 |
◊ |
1 |
-x,y,-z+1 |
2_556 |
2 |
1 |
9331 |
11.3 |
0.2 |
0.756 |
0 |
0 |
0 |
0.000 |
61 |
|
2 |
1 |
1 |
9456 |
◊ |
2 |
-x,y,-z+1 |
2_556 |
1 |
1 |
9456 |
2.2 |
0.1 |
0.757 |
0 |
0 |
0 |
0.000 |
| Average: |
6.7 |
0.1 |
0.756 |
0 |
0 |
0 |
0.000 |
| 44 |
62 |
|
[CA]2:3 |
1 |
1 |
85 |
f |
[CA]2:1 |
x,y,z |
1_555 |
1 |
1 |
85 |
10.3 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.014 |
| 45 |
63 |
|
1 |
1 |
1 |
9331 |
◊ |
[CA]3:3 |
x-1/2,y-1/2,z |
3_445 |
1 |
1 |
85 |
8.7 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.000 |
64 |
|
2 |
1 |
1 |
9456 |
◊ |
[CA]1:3 |
x-1/2,y+1/2,z |
3_455 |
1 |
1 |
85 |
5.8 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.000 |
| Average: |
7.3 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.000 |
| 46 |
65 |
|
[CA]3:3 |
1 |
1 |
85 |
f |
[CA]3:1 |
x,y,z |
1_555 |
1 |
1 |
85 |
8.3 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.011 |
| 47 |
66 |
|
[CA]1:3 |
1 |
1 |
85 |
f |
[CA]1:1 |
x,y,z |
1_555 |
1 |
1 |
85 |
6.5 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.009 |
| 48 |
67 |
|
[GOL]1:15 |
1 |
1 |
221 |
◊ |
3 |
x-1/2,y-1/2,z |
3_445 |
1 |
1 |
9332 |
6.5 |
0.3 |
0.668 |
0 |
0 |
0 |
0.000 |
| 49 |
68 |
|
[GOL]1:10 |
2 |
1 |
218 |
◊ |
[CL]1:4 |
x-1/2,y+1/2,z |
3_455 |
1 |
1 |
125 |
5.2 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.000 |
|