| ## |
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 |
|
I |
149 |
15 |
3976 |
◊ |
A |
x,y,z |
1_555 |
197 |
67 |
22190 |
1590.1 |
-41.4 |
0.213 |
26 |
0 |
0 |
0.928 |
2 |
|
F |
148 |
15 |
3973 |
◊ |
E |
x,y,z |
1_555 |
199 |
68 |
22074 |
1586.3 |
-41.8 |
0.225 |
23 |
0 |
0 |
0.928 |
3 |
|
K |
144 |
15 |
3986 |
◊ |
H |
x,y,z |
1_555 |
194 |
68 |
22130 |
1579.7 |
-40.7 |
0.217 |
23 |
0 |
0 |
0.928 |
4 |
|
C |
148 |
15 |
3948 |
◊ |
B |
x,y,z |
1_555 |
195 |
65 |
22105 |
1569.4 |
-40.7 |
0.215 |
24 |
0 |
0 |
0.928 |
| Average: |
1581.4 |
-41.2 |
0.217 |
24 |
0 |
0 |
0.928 |
| 2 |
5 |
|
E |
91 |
24 |
22074 |
◊ |
B |
-x+1,y-1/2,-z+1 |
2_646 |
85 |
22 |
22105 |
874.2 |
-11.6 |
0.183 |
3 |
4 |
0 |
0.100 |
| 3 |
6 |
|
L |
75 |
17 |
3935 |
◊ |
K |
x,y,z |
1_555 |
89 |
16 |
3986 |
753.5 |
-10.4 |
0.645 |
43 |
0 |
0 |
1.000 |
7 |
|
J |
72 |
17 |
3945 |
◊ |
I |
x,y,z |
1_555 |
89 |
16 |
3976 |
745.5 |
-9.7 |
0.668 |
43 |
0 |
0 |
1.000 |
8 |
|
G |
71 |
17 |
3956 |
◊ |
F |
x,y,z |
1_555 |
88 |
16 |
3973 |
745.4 |
-9.1 |
0.689 |
42 |
0 |
0 |
1.000 |
9 |
|
D |
69 |
17 |
3950 |
◊ |
C |
x,y,z |
1_555 |
85 |
16 |
3948 |
735.9 |
-10.0 |
0.632 |
42 |
0 |
0 |
1.000 |
| Average: |
745.1 |
-9.8 |
0.658 |
43 |
0 |
0 |
1.000 |
| 4 |
10 |
|
E |
73 |
26 |
22074 |
◊ |
A |
x,y,z |
1_555 |
76 |
25 |
22190 |
670.9 |
-15.2 |
0.026 |
0 |
0 |
0 |
1.000 |
11 |
|
B |
49 |
17 |
22105 |
◊ |
H |
x-1,y,z |
1_455 |
52 |
17 |
22130 |
531.1 |
-13.1 |
0.010 |
0 |
0 |
0 |
1.000 |
| Average: |
601.0 |
-14.1 |
0.018 |
0 |
0 |
0 |
1.000 |
| 5 |
12 |
|
A |
70 |
18 |
22190 |
◊ |
H |
-x,y-1/2,-z |
2_545 |
66 |
16 |
22130 |
665.8 |
-11.6 |
0.088 |
2 |
0 |
0 |
0.100 |
| 6 |
13 |
|
E |
40 |
15 |
22074 |
◊ |
B |
-x,y-1/2,-z+1 |
2_546 |
36 |
14 |
22105 |
351.4 |
-4.5 |
0.327 |
1 |
0 |
0 |
0.000 |
| 7 |
14 |
|
E |
32 |
12 |
22074 |
◊ |
H |
x,y-1,z |
1_545 |
36 |
10 |
22130 |
349.1 |
-5.5 |
0.185 |
0 |
0 |
0 |
0.000 |
| 8 |
15 |
|
H |
33 |
11 |
22130 |
◊ |
E |
x,y,z |
1_555 |
41 |
10 |
22074 |
330.8 |
-4.5 |
0.328 |
0 |
0 |
0 |
0.000 |
| 9 |
16 |
|
L |
41 |
12 |
3935 |
◊ |
H |
x,y,z |
1_555 |
32 |
16 |
22130 |
304.2 |
-3.7 |
0.394 |
4 |
0 |
0 |
0.060 |
17 |
|
J |
40 |
12 |
3945 |
◊ |
A |
x,y,z |
1_555 |
29 |
16 |
22190 |
272.4 |
-3.2 |
0.426 |
4 |
0 |
0 |
0.060 |
18 |
|
D |
38 |
12 |
3950 |
◊ |
B |
x,y,z |
1_555 |
29 |
16 |
22105 |
270.0 |
-2.9 |
0.398 |
4 |
0 |
0 |
0.060 |
19 |
|
G |
42 |
13 |
3956 |
◊ |
E |
x,y,z |
1_555 |
31 |
17 |
22074 |
265.7 |
-2.9 |
0.444 |
5 |
0 |
0 |
0.060 |
| Average: |
278.1 |
-3.1 |
0.416 |
4 |
0 |
0 |
0.060 |
| 10 |
20 |
|
A |
29 |
13 |
22190 |
◊ |
H |
-x+1,y-1/2,-z |
2_645 |
34 |
14 |
22130 |
293.0 |
-3.3 |
0.388 |
0 |
0 |
0 |
0.000 |
| 11 |
21 |
|
[5HC]F:6 |
21 |
1 |
476 |
cf |
F |
x,y,z |
1_555 |
26 |
2 |
3973 |
222.8 |
1.9 |
0.846 |
1 |
0 |
0 |
0.000 |
22 |
|
[5HC]K:6 |
20 |
1 |
474 |
cf |
K |
x,y,z |
1_555 |
27 |
2 |
3986 |
221.2 |
2.0 |
0.859 |
1 |
0 |
0 |
0.000 |
23 |
|
[5HC]I:6 |
20 |
1 |
478 |
cf |
I |
x,y,z |
1_555 |
25 |
2 |
3976 |
219.3 |
1.9 |
0.843 |
1 |
0 |
0 |
0.000 |
24 |
|
[5HC]C:6 |
20 |
1 |
476 |
cf |
C |
x,y,z |
1_555 |
24 |
2 |
3948 |
218.3 |
2.0 |
0.847 |
1 |
0 |
0 |
0.000 |
| Average: |
220.4 |
2.0 |
0.849 |
1 |
0 |
0 |
0.000 |
| 12 |
25 |
|
H |
18 |
6 |
22130 |
x |
H |
-x+1,y-1/2,-z |
2_645 |
16 |
8 |
22130 |
178.5 |
-1.8 |
0.417 |
0 |
0 |
0 |
0.000 |
| 13 |
26 |
|
B |
21 |
8 |
22105 |
◊ |
A |
x,y,z |
1_555 |
19 |
7 |
22190 |
174.4 |
-1.6 |
0.456 |
1 |
0 |
0 |
0.000 |
| 14 |
27 |
|
[5HC]I:6 |
16 |
1 |
478 |
◊ |
A |
x,y,z |
1_555 |
30 |
12 |
22190 |
173.0 |
-4.8 |
0.387 |
2 |
0 |
0 |
0.105 |
28 |
|
[5HC]C:6 |
16 |
1 |
476 |
◊ |
B |
x,y,z |
1_555 |
29 |
12 |
22105 |
172.6 |
-4.9 |
0.369 |
2 |
0 |
0 |
0.105 |
29 |
|
[5HC]K:6 |
16 |
1 |
474 |
◊ |
H |
x,y,z |
1_555 |
30 |
12 |
22130 |
170.6 |
-4.9 |
0.387 |
2 |
0 |
0 |
0.105 |
30 |
|
[5HC]F:6 |
16 |
1 |
476 |
◊ |
E |
x,y,z |
1_555 |
30 |
11 |
22074 |
168.2 |
-5.0 |
0.357 |
1 |
0 |
0 |
0.105 |
| Average: |
171.1 |
-4.9 |
0.375 |
2 |
0 |
0 |
0.105 |
| 15 |
31 |
|
F |
16 |
4 |
3973 |
◊ |
B |
-x+1,y-1/2,-z+1 |
2_646 |
21 |
7 |
22105 |
170.8 |
-0.4 |
0.708 |
0 |
0 |
0 |
0.002 |
| 16 |
32 |
|
A |
21 |
8 |
22190 |
◊ |
B |
x,y-1,z |
1_545 |
20 |
7 |
22105 |
168.7 |
-1.7 |
0.467 |
1 |
0 |
0 |
0.000 |
| 17 |
33 |
|
A |
21 |
4 |
22190 |
◊ |
K |
-x,y-1/2,-z |
2_545 |
20 |
3 |
3986 |
168.5 |
-0.8 |
0.475 |
0 |
0 |
0 |
0.000 |
34 |
|
I |
18 |
3 |
3976 |
◊ |
H |
-x,y-1/2,-z |
2_545 |
18 |
4 |
22130 |
143.4 |
-0.1 |
0.599 |
0 |
0 |
0 |
0.000 |
| Average: |
155.9 |
-0.5 |
0.537 |
0 |
0 |
0 |
0.000 |
| 18 |
35 |
|
C |
14 |
1 |
3948 |
◊ |
B |
-x,y-1/2,-z+1 |
2_546 |
22 |
6 |
22105 |
147.3 |
-2.5 |
0.520 |
0 |
0 |
0 |
0.000 |
| 19 |
36 |
|
J |
15 |
1 |
3945 |
◊ |
A |
-x,y-1/2,-z |
2_545 |
13 |
6 |
22190 |
130.5 |
0.4 |
0.524 |
0 |
0 |
0 |
0.000 |
| 20 |
37 |
|
D |
14 |
1 |
3950 |
◊ |
B |
-x,y-1/2,-z+1 |
2_546 |
15 |
7 |
22105 |
128.6 |
1.3 |
0.547 |
0 |
0 |
0 |
0.000 |
| 21 |
38 |
|
A |
8 |
2 |
22190 |
◊ |
L |
-x,y-1/2,-z |
2_545 |
16 |
5 |
3935 |
119.2 |
1.1 |
0.697 |
0 |
0 |
0 |
0.000 |
39 |
|
J |
11 |
3 |
3945 |
◊ |
H |
-x,y-1/2,-z |
2_545 |
6 |
1 |
22130 |
70.4 |
-1.6 |
0.447 |
0 |
0 |
0 |
0.000 |
| Average: |
94.8 |
-0.2 |
0.572 |
0 |
0 |
0 |
0.000 |
| 22 |
40 |
|
I |
17 |
2 |
3976 |
◊ |
A |
-x,y-1/2,-z |
2_545 |
13 |
4 |
22190 |
113.4 |
-1.2 |
0.567 |
0 |
0 |
0 |
0.000 |
| 23 |
41 |
|
E |
11 |
1 |
22074 |
◊ |
C |
-x+1,y-1/2,-z+1 |
2_646 |
13 |
2 |
3948 |
105.6 |
-0.7 |
0.333 |
0 |
0 |
0 |
0.003 |
| 24 |
42 |
|
B |
16 |
5 |
22105 |
◊ |
E |
x-1,y+1,z |
1_465 |
16 |
4 |
22074 |
101.6 |
-0.0 |
0.719 |
0 |
0 |
0 |
0.000 |
| 25 |
43 |
|
B |
12 |
6 |
22105 |
x |
B |
-x,y-1/2,-z+1 |
2_546 |
17 |
6 |
22105 |
101.1 |
0.2 |
0.727 |
0 |
0 |
0 |
0.000 |
| 26 |
44 |
|
F |
12 |
2 |
3973 |
◊ |
A |
x,y,z |
1_555 |
11 |
2 |
22190 |
86.8 |
1.1 |
0.470 |
0 |
0 |
0 |
0.000 |
45 |
|
B |
9 |
2 |
22105 |
◊ |
K |
x-1,y,z |
1_455 |
11 |
2 |
3986 |
81.5 |
-0.6 |
0.423 |
0 |
0 |
0 |
0.000 |
46 |
|
C |
8 |
2 |
3948 |
◊ |
H |
x-1,y,z |
1_455 |
8 |
2 |
22130 |
77.9 |
1.0 |
0.667 |
1 |
0 |
0 |
0.000 |
47 |
|
I |
9 |
2 |
3976 |
◊ |
E |
x,y,z |
1_555 |
10 |
2 |
22074 |
65.8 |
0.4 |
0.666 |
0 |
0 |
0 |
0.000 |
| Average: |
78.0 |
0.5 |
0.556 |
0 |
0 |
0 |
0.000 |
| 27 |
48 |
|
[5HC]I:6 |
6 |
1 |
478 |
◊ |
J |
x,y,z |
1_555 |
8 |
3 |
3945 |
67.8 |
0.6 |
0.617 |
3 |
0 |
0 |
0.032 |
49 |
|
[5HC]F:6 |
6 |
1 |
476 |
◊ |
G |
x,y,z |
1_555 |
8 |
3 |
3956 |
67.5 |
0.5 |
0.596 |
3 |
0 |
0 |
0.032 |
50 |
|
[5HC]C:6 |
6 |
1 |
476 |
◊ |
D |
x,y,z |
1_555 |
8 |
3 |
3950 |
66.2 |
0.7 |
0.630 |
3 |
0 |
0 |
0.032 |
51 |
|
[5HC]K:6 |
6 |
1 |
474 |
◊ |
L |
x,y,z |
1_555 |
8 |
3 |
3935 |
64.8 |
0.5 |
0.606 |
3 |
0 |
0 |
0.032 |
| Average: |
66.6 |
0.6 |
0.612 |
3 |
0 |
0 |
0.032 |
| 28 |
52 |
|
A |
12 |
6 |
22190 |
◊ |
H |
x-1,y-1,z |
1_445 |
7 |
5 |
22130 |
60.3 |
-1.4 |
0.338 |
0 |
0 |
0 |
0.000 |
| 29 |
53 |
|
H |
6 |
3 |
22130 |
◊ |
A |
x,y,z |
1_555 |
4 |
2 |
22190 |
39.3 |
-0.4 |
0.409 |
0 |
0 |
0 |
0.000 |
| 30 |
54 |
|
E |
3 |
1 |
22074 |
x |
E |
-x+1,y-1/2,-z+1 |
2_646 |
4 |
1 |
22074 |
32.9 |
-0.6 |
0.351 |
0 |
0 |
0 |
0.000 |
| 31 |
55 |
|
B |
4 |
2 |
22105 |
◊ |
G |
x-1,y+1,z |
1_465 |
5 |
3 |
3956 |
26.2 |
-0.6 |
0.524 |
0 |
0 |
0 |
0.000 |
| 32 |
56 |
|
A |
2 |
1 |
22190 |
x |
A |
-x,y-1/2,-z |
2_545 |
3 |
2 |
22190 |
23.7 |
0.2 |
0.733 |
1 |
0 |
0 |
0.000 |
| 33 |
57 |
|
E |
3 |
1 |
22074 |
◊ |
D |
-x+1,y-1/2,-z+1 |
2_646 |
2 |
1 |
3950 |
17.2 |
-0.6 |
0.446 |
0 |
0 |
0 |
0.003 |
| 34 |
58 |
|
K |
3 |
1 |
3986 |
◊ |
A |
x,y,z |
1_555 |
2 |
2 |
22190 |
14.0 |
-0.7 |
0.367 |
0 |
0 |
0 |
0.000 |
| 35 |
59 |
|
B |
1 |
1 |
22105 |
◊ |
E |
x-1,y,z |
1_455 |
1 |
1 |
22074 |
11.0 |
-0.4 |
0.216 |
0 |
0 |
0 |
0.000 |
| 36 |
60 |
|
L |
1 |
1 |
3935 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
22190 |
4.3 |
0.0 |
0.439 |
0 |
0 |
0 |
0.000 |
| 37 |
61 |
|
D |
2 |
1 |
3950 |
◊ |
H |
x-1,y,z |
1_455 |
1 |
1 |
22130 |
2.3 |
-0.0 |
0.414 |
0 |
0 |
0 |
0.000 |
|