| ## |
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 |
|
H |
207 |
51 |
13362 |
◊ |
F |
x,y,z |
1_555 |
199 |
48 |
13153 |
2093.4 |
-31.9 |
0.053 |
22 |
11 |
0 |
0.467 |
2 |
|
E |
205 |
49 |
13408 |
◊ |
C |
x,y,z |
1_555 |
198 |
50 |
13365 |
2084.8 |
-30.6 |
0.051 |
18 |
11 |
0 |
0.467 |
3 |
|
G |
195 |
49 |
13241 |
◊ |
A |
x,y,z |
1_555 |
209 |
52 |
13306 |
2081.9 |
-31.6 |
0.040 |
22 |
8 |
0 |
0.467 |
4 |
|
D |
207 |
49 |
12813 |
◊ |
B |
x,y,z |
1_555 |
192 |
49 |
12869 |
2039.5 |
-35.0 |
0.028 |
16 |
7 |
0 |
0.467 |
| Average: |
2074.9 |
-32.3 |
0.043 |
20 |
9 |
0 |
0.467 |
| 2 |
5 |
|
E |
104 |
28 |
13408 |
◊ |
D |
x,y,z |
1_555 |
113 |
32 |
12813 |
1043.0 |
-10.1 |
0.430 |
13 |
0 |
0 |
0.324 |
6 |
|
C |
110 |
30 |
13365 |
◊ |
B |
x,y,z |
1_555 |
107 |
30 |
12869 |
1036.2 |
-10.6 |
0.404 |
9 |
0 |
0 |
0.324 |
7 |
|
F |
106 |
29 |
13153 |
◊ |
A |
x,y,z |
1_555 |
108 |
28 |
13306 |
1009.7 |
-14.7 |
0.185 |
5 |
0 |
0 |
0.324 |
8 |
|
H |
106 |
31 |
13362 |
◊ |
G |
x,y,z |
1_555 |
109 |
28 |
13241 |
1004.2 |
-13.2 |
0.262 |
5 |
0 |
0 |
0.324 |
| Average: |
1023.3 |
-12.1 |
0.320 |
8 |
0 |
0 |
0.324 |
| 3 |
9 |
|
E |
50 |
13 |
13408 |
◊ |
F |
-x+5/2,-y+1,z-1/2 |
2_764 |
51 |
14 |
13153 |
457.2 |
-3.2 |
0.592 |
3 |
0 |
0 |
0.000 |
10 |
|
C |
51 |
13 |
13365 |
◊ |
A |
x,y,z |
1_555 |
52 |
13 |
13306 |
453.6 |
-2.4 |
0.617 |
2 |
3 |
0 |
0.000 |
| Average: |
455.4 |
-2.8 |
0.605 |
3 |
2 |
0 |
0.000 |
| 4 |
11 |
|
B |
55 |
15 |
12869 |
◊ |
G |
-x+2,y-1/2,-z+1/2 |
3_745 |
39 |
12 |
13241 |
397.5 |
-1.9 |
0.688 |
2 |
0 |
0 |
0.000 |
| 5 |
12 |
|
E |
47 |
15 |
13408 |
◊ |
F |
-x+3/2,-y+1,z-1/2 |
2_664 |
47 |
17 |
13153 |
372.6 |
2.3 |
0.901 |
3 |
0 |
0 |
0.000 |
| 6 |
13 |
|
H |
34 |
9 |
13362 |
◊ |
D |
x-1/2,-y+1/2,-z+1 |
4_456 |
37 |
11 |
12813 |
308.3 |
-2.9 |
0.500 |
2 |
0 |
0 |
0.000 |
| 7 |
14 |
|
E |
32 |
10 |
13408 |
◊ |
B |
x-1,y,z |
1_455 |
29 |
10 |
12869 |
291.9 |
0.3 |
0.686 |
4 |
1 |
0 |
0.000 |
15 |
|
F |
26 |
9 |
13153 |
◊ |
G |
x-1,y,z |
1_455 |
29 |
9 |
13241 |
279.2 |
0.1 |
0.704 |
1 |
1 |
0 |
0.000 |
16 |
|
A |
33 |
10 |
13306 |
◊ |
H |
x-1,y,z |
1_455 |
33 |
10 |
13362 |
276.6 |
-1.7 |
0.550 |
0 |
1 |
0 |
0.000 |
17 |
|
D |
26 |
9 |
12813 |
◊ |
C |
x-1,y,z |
1_455 |
23 |
6 |
13365 |
213.8 |
-0.6 |
0.556 |
1 |
1 |
0 |
0.000 |
| Average: |
265.4 |
-0.5 |
0.624 |
2 |
1 |
0 |
0.000 |
| 8 |
18 |
|
D |
32 |
9 |
12813 |
◊ |
A |
x,y,z |
1_555 |
30 |
12 |
13306 |
274.7 |
0.6 |
0.777 |
1 |
0 |
0 |
0.000 |
19 |
|
H |
29 |
7 |
13362 |
◊ |
C |
x,y,z |
1_555 |
20 |
10 |
13365 |
229.7 |
0.8 |
0.773 |
0 |
0 |
0 |
0.000 |
| Average: |
252.2 |
0.7 |
0.775 |
1 |
0 |
0 |
0.000 |
| 9 |
20 |
|
B |
28 |
8 |
12869 |
◊ |
A |
-x+2,y-1/2,-z+1/2 |
3_745 |
30 |
10 |
13306 |
269.4 |
-1.7 |
0.550 |
0 |
0 |
0 |
0.000 |
| 10 |
21 |
|
C |
25 |
10 |
13365 |
◊ |
F |
-x+5/2,-y+1,z-1/2 |
2_764 |
22 |
6 |
13153 |
209.6 |
0.1 |
0.732 |
1 |
2 |
0 |
0.000 |
22 |
|
G |
22 |
9 |
13241 |
◊ |
C |
x,y,z |
1_555 |
18 |
6 |
13365 |
203.3 |
0.5 |
0.744 |
3 |
2 |
0 |
0.000 |
23 |
|
E |
20 |
9 |
13408 |
◊ |
A |
x,y,z |
1_555 |
21 |
5 |
13306 |
193.6 |
0.4 |
0.754 |
2 |
1 |
0 |
0.000 |
| Average: |
202.2 |
0.3 |
0.744 |
2 |
2 |
0 |
0.000 |
| 11 |
24 |
|
B |
24 |
5 |
12869 |
◊ |
F |
-x+5/2,-y+1,z-1/2 |
2_764 |
20 |
9 |
13153 |
185.4 |
0.1 |
0.732 |
0 |
0 |
0 |
0.000 |
| 12 |
25 |
|
E |
19 |
5 |
13408 |
◊ |
G |
-x+2,y-1/2,-z+1/2 |
3_745 |
20 |
7 |
13241 |
146.5 |
0.2 |
0.740 |
2 |
0 |
0 |
0.000 |
| 13 |
26 |
|
E |
13 |
6 |
13408 |
◊ |
H |
-x+5/2,-y+1,z-1/2 |
2_764 |
18 |
7 |
13362 |
127.6 |
-0.6 |
0.561 |
0 |
0 |
0 |
0.000 |
| 14 |
27 |
|
D |
13 |
6 |
12813 |
◊ |
G |
-x+2,y-1/2,-z+1/2 |
3_745 |
15 |
5 |
13241 |
126.4 |
-0.9 |
0.545 |
1 |
0 |
0 |
0.000 |
28 |
|
H |
14 |
4 |
13362 |
◊ |
B |
x-1/2,-y+1/2,-z+1 |
4_456 |
13 |
5 |
12869 |
111.7 |
-1.5 |
0.460 |
0 |
0 |
0 |
0.000 |
29 |
|
F |
13 |
8 |
13153 |
◊ |
D |
x-1/2,-y+1/2,-z+1 |
4_456 |
14 |
4 |
12813 |
105.0 |
-0.3 |
0.663 |
1 |
0 |
0 |
0.000 |
| Average: |
114.4 |
-0.9 |
0.556 |
1 |
0 |
0 |
0.000 |
| 15 |
30 |
|
H |
16 |
6 |
13362 |
◊ |
C |
x-1/2,-y+1/2,-z+1 |
4_456 |
15 |
3 |
13365 |
106.4 |
-0.8 |
0.573 |
1 |
0 |
0 |
0.000 |
| 16 |
31 |
|
A |
11 |
5 |
13306 |
◊ |
C |
x-1,y,z |
1_455 |
14 |
7 |
13365 |
86.0 |
1.3 |
0.833 |
0 |
0 |
0 |
0.000 |
| 17 |
32 |
|
B |
15 |
7 |
12869 |
◊ |
G |
-x+3,y-1/2,-z+1/2 |
3_845 |
11 |
5 |
13241 |
83.4 |
-1.1 |
0.528 |
0 |
0 |
0 |
0.000 |
| 18 |
33 |
|
A |
8 |
4 |
13306 |
◊ |
G |
x-1,y,z |
1_455 |
8 |
3 |
13241 |
60.8 |
1.4 |
0.872 |
1 |
0 |
0 |
0.000 |
34 |
|
E |
3 |
2 |
13408 |
◊ |
C |
x-1,y,z |
1_455 |
2 |
2 |
13365 |
19.5 |
0.6 |
0.848 |
0 |
0 |
0 |
0.000 |
| Average: |
40.2 |
1.0 |
0.860 |
1 |
0 |
0 |
0.000 |
| 19 |
35 |
|
[CA]F:221 |
1 |
1 |
85 |
f |
F |
x,y,z |
1_555 |
8 |
4 |
13153 |
39.1 |
-8.7 |
0.000 |
0 |
0 |
0 |
0.362 |
36 |
|
[CA]C:221 |
1 |
1 |
85 |
f |
C |
x,y,z |
1_555 |
7 |
4 |
13365 |
38.6 |
-9.5 |
0.000 |
0 |
0 |
0 |
0.362 |
37 |
|
[CA]H:221 |
1 |
1 |
85 |
f |
H |
x,y,z |
1_555 |
8 |
4 |
13362 |
38.4 |
-9.0 |
0.000 |
0 |
0 |
0 |
0.362 |
38 |
|
[CA]B:221 |
1 |
1 |
85 |
f |
B |
x,y,z |
1_555 |
7 |
4 |
12869 |
38.0 |
-8.7 |
0.000 |
0 |
0 |
0 |
0.362 |
39 |
|
[CA]D:220 |
1 |
1 |
85 |
f |
D |
x,y,z |
1_555 |
8 |
5 |
12813 |
37.9 |
-8.8 |
0.000 |
0 |
0 |
0 |
0.362 |
40 |
|
[CA]A:220 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
5 |
4 |
13306 |
37.6 |
-9.1 |
0.000 |
0 |
0 |
0 |
0.362 |
41 |
|
[CA]E:221 |
1 |
1 |
85 |
f |
E |
x,y,z |
1_555 |
6 |
4 |
13408 |
37.4 |
-8.7 |
0.000 |
0 |
0 |
0 |
0.362 |
42 |
|
[CA]G:221 |
1 |
1 |
85 |
f |
G |
x,y,z |
1_555 |
4 |
3 |
13241 |
36.9 |
-9.2 |
0.000 |
0 |
0 |
0 |
0.362 |
| Average: |
38.0 |
-9.0 |
0.000 |
0 |
0 |
0 |
0.362 |
| 20 |
43 |
|
[CA]E:220 |
1 |
1 |
85 |
f |
E |
x,y,z |
1_555 |
6 |
4 |
13408 |
38.9 |
-9.0 |
0.000 |
0 |
0 |
0 |
0.353 |
44 |
|
[CA]G:220 |
1 |
1 |
85 |
f |
G |
x,y,z |
1_555 |
5 |
3 |
13241 |
38.6 |
-8.8 |
0.000 |
0 |
0 |
0 |
0.353 |
45 |
|
[CA]C:220 |
1 |
1 |
85 |
f |
C |
x,y,z |
1_555 |
6 |
3 |
13365 |
37.8 |
-8.8 |
0.000 |
0 |
0 |
0 |
0.353 |
46 |
|
[CA]F:220 |
1 |
1 |
85 |
f |
F |
x,y,z |
1_555 |
6 |
3 |
13153 |
37.7 |
-8.6 |
0.000 |
0 |
0 |
0 |
0.353 |
47 |
|
[CA]H:220 |
1 |
1 |
85 |
f |
H |
x,y,z |
1_555 |
5 |
3 |
13362 |
37.5 |
-8.7 |
0.000 |
0 |
0 |
0 |
0.353 |
48 |
|
[CA]B:220 |
1 |
1 |
85 |
f |
B |
x,y,z |
1_555 |
7 |
4 |
12869 |
36.9 |
-8.8 |
0.000 |
0 |
0 |
0 |
0.353 |
49 |
|
[CA]A:221 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
5 |
3 |
13306 |
36.8 |
-8.8 |
0.000 |
0 |
0 |
0 |
0.353 |
50 |
|
[CA]D:221 |
1 |
1 |
85 |
f |
D |
x,y,z |
1_555 |
8 |
4 |
12813 |
35.9 |
-9.3 |
0.000 |
0 |
0 |
0 |
0.353 |
| Average: |
37.5 |
-8.9 |
0.000 |
0 |
0 |
0 |
0.353 |
| 21 |
51 |
|
E |
3 |
1 |
13408 |
◊ |
G |
-x+5/2,-y+1,z-1/2 |
2_764 |
1 |
1 |
13241 |
31.0 |
0.7 |
0.881 |
1 |
0 |
0 |
0.000 |
| 22 |
52 |
|
[CA]D:220 |
1 |
1 |
85 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
12869 |
25.9 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.077 |
53 |
|
[CA]E:221 |
1 |
1 |
85 |
◊ |
C |
x,y,z |
1_555 |
2 |
1 |
13365 |
25.2 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.077 |
54 |
|
[CA]F:221 |
1 |
1 |
85 |
◊ |
H |
x,y,z |
1_555 |
2 |
1 |
13362 |
25.1 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.077 |
55 |
|
[CA]B:221 |
1 |
1 |
85 |
◊ |
D |
x,y,z |
1_555 |
2 |
1 |
12813 |
24.6 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.077 |
56 |
|
[CA]H:221 |
1 |
1 |
85 |
◊ |
F |
x,y,z |
1_555 |
2 |
1 |
13153 |
24.4 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.077 |
57 |
|
[CA]A:220 |
1 |
1 |
85 |
◊ |
G |
x,y,z |
1_555 |
2 |
1 |
13241 |
22.4 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.077 |
58 |
|
[CA]G:221 |
1 |
1 |
85 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
13306 |
22.2 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.077 |
59 |
|
[CA]C:221 |
1 |
1 |
85 |
◊ |
E |
x,y,z |
1_555 |
2 |
1 |
13408 |
21.4 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.077 |
| Average: |
23.9 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.077 |
| 23 |
60 |
|
[CA]F:220 |
1 |
1 |
85 |
◊ |
H |
x,y,z |
1_555 |
4 |
3 |
13362 |
24.1 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.079 |
61 |
|
[CA]C:220 |
1 |
1 |
85 |
◊ |
E |
x,y,z |
1_555 |
4 |
3 |
13408 |
24.0 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.079 |
62 |
|
[CA]H:220 |
1 |
1 |
85 |
◊ |
F |
x,y,z |
1_555 |
3 |
3 |
13153 |
24.0 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.079 |
63 |
|
[CA]G:220 |
1 |
1 |
85 |
◊ |
A |
x,y,z |
1_555 |
4 |
3 |
13306 |
23.5 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.079 |
64 |
|
[CA]B:220 |
1 |
1 |
85 |
◊ |
D |
x,y,z |
1_555 |
4 |
3 |
12813 |
23.4 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.079 |
65 |
|
[CA]A:221 |
1 |
1 |
85 |
◊ |
G |
x,y,z |
1_555 |
4 |
3 |
13241 |
23.2 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.079 |
66 |
|
[CA]E:220 |
1 |
1 |
85 |
◊ |
C |
x,y,z |
1_555 |
3 |
3 |
13365 |
23.2 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.079 |
67 |
|
[CA]D:221 |
1 |
1 |
85 |
◊ |
B |
x,y,z |
1_555 |
5 |
3 |
12869 |
21.9 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.079 |
| Average: |
23.4 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.079 |
| 24 |
68 |
|
D |
4 |
3 |
12813 |
◊ |
H |
x-1/2,-y+1/2,-z+1 |
4_456 |
5 |
3 |
13362 |
20.1 |
0.4 |
0.767 |
0 |
0 |
0 |
0.000 |
| 25 |
69 |
|
A |
2 |
2 |
13306 |
◊ |
D |
x-1/2,-y+1/2,-z+1 |
4_456 |
3 |
2 |
12813 |
12.9 |
0.2 |
0.763 |
0 |
0 |
0 |
0.000 |
| 26 |
70 |
|
F |
2 |
1 |
13153 |
◊ |
G |
x-1/2,-y+3/2,-z+1 |
4_466 |
2 |
1 |
13241 |
6.1 |
-0.0 |
0.602 |
0 |
0 |
0 |
0.000 |
| 27 |
71 |
|
B |
1 |
1 |
12869 |
◊ |
F |
-x+2,y-1/2,-z+1/2 |
3_745 |
1 |
1 |
13153 |
3.3 |
0.1 |
0.611 |
0 |
0 |
0 |
0.000 |
|