## |
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 |
120 |
34 |
11193 |
◊ |
A |
x,y,z |
1_555 |
131 |
34 |
10996 |
1172.4 |
-12.7 |
0.218 |
12 |
8 |
0 |
1.000 |
2 |
|
D |
127 |
35 |
11159 |
◊ |
B |
x,y,z |
1_555 |
125 |
34 |
11193 |
1148.9 |
-9.6 |
0.292 |
18 |
3 |
0 |
1.000 |
3 |
|
G |
122 |
33 |
11073 |
◊ |
A |
x,y,z |
1_555 |
119 |
35 |
10996 |
1119.5 |
-13.0 |
0.177 |
12 |
5 |
0 |
1.000 |
4 |
|
I |
115 |
33 |
11080 |
◊ |
D |
x,y,z |
1_555 |
108 |
31 |
11159 |
1097.7 |
-10.3 |
0.215 |
13 |
4 |
0 |
1.000 |
5 |
|
I |
118 |
31 |
11080 |
◊ |
G |
x,y,z |
1_555 |
118 |
32 |
11073 |
1090.5 |
-12.2 |
0.165 |
12 |
3 |
0 |
1.000 |
Average: |
1125.8 |
-11.5 |
0.213 |
13 |
5 |
0 |
1.000 |
2 |
6 |
|
H |
39 |
11 |
1317 |
◊ |
I |
x,y,z |
1_555 |
47 |
16 |
11080 |
431.0 |
-4.0 |
0.585 |
7 |
0 |
0 |
1.000 |
7 |
|
E |
40 |
10 |
1326 |
◊ |
B |
x,y,z |
1_555 |
55 |
17 |
11193 |
430.5 |
-5.4 |
0.465 |
7 |
0 |
0 |
1.000 |
8 |
|
C |
38 |
10 |
1319 |
◊ |
A |
x,y,z |
1_555 |
49 |
17 |
10996 |
428.6 |
-5.0 |
0.536 |
3 |
0 |
0 |
1.000 |
9 |
|
F |
39 |
11 |
1313 |
◊ |
G |
x,y,z |
1_555 |
50 |
17 |
11073 |
423.3 |
-4.5 |
0.560 |
3 |
0 |
0 |
1.000 |
10 |
|
J |
41 |
11 |
1339 |
◊ |
D |
x,y,z |
1_555 |
50 |
16 |
11159 |
413.7 |
-4.0 |
0.654 |
2 |
0 |
0 |
1.000 |
Average: |
425.4 |
-4.6 |
0.560 |
4 |
0 |
0 |
1.000 |
3 |
11 |
|
J |
37 |
11 |
1339 |
◊ |
I |
x,y,z |
1_555 |
57 |
17 |
11080 |
421.9 |
-8.3 |
0.229 |
3 |
2 |
0 |
1.000 |
12 |
|
E |
38 |
10 |
1326 |
◊ |
D |
x,y,z |
1_555 |
60 |
16 |
11159 |
408.3 |
-8.7 |
0.226 |
1 |
1 |
0 |
1.000 |
13 |
|
C |
36 |
11 |
1319 |
◊ |
B |
x,y,z |
1_555 |
59 |
15 |
11193 |
399.6 |
-8.7 |
0.242 |
1 |
2 |
0 |
1.000 |
14 |
|
H |
36 |
10 |
1317 |
◊ |
G |
x,y,z |
1_555 |
59 |
15 |
11073 |
391.4 |
-8.6 |
0.225 |
2 |
1 |
0 |
1.000 |
15 |
|
F |
36 |
10 |
1313 |
◊ |
A |
x,y,z |
1_555 |
55 |
16 |
10996 |
386.1 |
-8.9 |
0.204 |
1 |
2 |
0 |
1.000 |
Average: |
401.5 |
-8.6 |
0.225 |
2 |
2 |
0 |
1.000 |
4 |
16 |
|
I |
35 |
11 |
11080 |
◊ |
B |
-y-1,x-y-1,z-1/3 |
3_444 |
34 |
10 |
11193 |
308.8 |
-1.4 |
0.531 |
2 |
1 |
0 |
0.000 |
5 |
17 |
|
G |
21 |
7 |
11073 |
◊ |
A |
-y-1,x-y-1,z-1/3 |
3_444 |
24 |
6 |
10996 |
182.7 |
-0.7 |
0.607 |
2 |
1 |
0 |
0.000 |
6 |
18 |
|
B |
16 |
6 |
11193 |
◊ |
A |
x-y,x,z-1/6 |
2_554 |
22 |
9 |
10996 |
132.7 |
-0.6 |
0.584 |
2 |
0 |
0 |
0.000 |
7 |
19 |
|
H |
17 |
6 |
1317 |
◊ |
B |
-y-1,x-y-1,z-1/3 |
3_444 |
20 |
5 |
11193 |
128.9 |
-2.1 |
0.538 |
1 |
0 |
0 |
0.027 |
8 |
20 |
|
I |
13 |
5 |
11080 |
◊ |
A |
-y-1,x-y-1,z-1/3 |
3_444 |
13 |
3 |
10996 |
114.0 |
1.0 |
0.792 |
1 |
0 |
0 |
0.000 |
9 |
21 |
|
I |
10 |
5 |
11080 |
◊ |
D |
-y-1,x-y-1,z-1/3 |
3_444 |
10 |
4 |
11159 |
112.5 |
-0.4 |
0.468 |
1 |
0 |
0 |
0.000 |
10 |
22 |
|
D |
15 |
6 |
11159 |
◊ |
G |
x-y,x,z-1/6 |
2_554 |
13 |
5 |
11073 |
106.2 |
-0.8 |
0.512 |
1 |
0 |
0 |
0.000 |
11 |
23 |
|
E |
13 |
5 |
1326 |
◊ |
A |
x-y,x,z-1/6 |
2_554 |
8 |
2 |
10996 |
88.0 |
-0.6 |
0.570 |
1 |
0 |
0 |
0.012 |
12 |
24 |
|
D |
8 |
2 |
11159 |
◊ |
F |
x-y,x,z-1/6 |
2_554 |
11 |
4 |
1313 |
87.2 |
-0.7 |
0.560 |
1 |
0 |
0 |
0.013 |
13 |
25 |
|
G |
7 |
2 |
11073 |
◊ |
B |
-y-1,x-y-1,z-1/3 |
3_444 |
10 |
4 |
11193 |
79.1 |
-1.8 |
0.208 |
0 |
0 |
0 |
0.000 |
14 |
26 |
|
E |
8 |
5 |
1326 |
◊ |
F |
x-y,x,z-1/6 |
2_554 |
6 |
2 |
1313 |
59.7 |
-1.5 |
0.514 |
0 |
0 |
0 |
0.000 |
15 |
27 |
|
H |
7 |
3 |
1317 |
◊ |
A |
-y-1,x-y-1,z-1/3 |
3_444 |
9 |
4 |
10996 |
55.7 |
-0.6 |
0.616 |
0 |
0 |
0 |
0.007 |
16 |
28 |
|
[NH2]J:417 |
1 |
1 |
117 |
cf |
J |
x,y,z |
1_555 |
8 |
4 |
1339 |
47.8 |
0.3 |
0.817 |
0 |
0 |
0 |
0.000 |
29 |
|
[NH2]C:417 |
1 |
1 |
117 |
cf |
C |
x,y,z |
1_555 |
8 |
4 |
1319 |
46.0 |
0.3 |
0.810 |
0 |
0 |
0 |
0.000 |
30 |
|
[NH2]H:417 |
1 |
1 |
117 |
cf |
H |
x,y,z |
1_555 |
7 |
4 |
1317 |
43.8 |
0.3 |
0.801 |
0 |
0 |
0 |
0.000 |
31 |
|
[NH2]F:417 |
1 |
1 |
117 |
cf |
F |
x,y,z |
1_555 |
8 |
3 |
1313 |
39.6 |
0.2 |
0.808 |
0 |
0 |
0 |
0.000 |
32 |
|
[NH2]E:417 |
1 |
1 |
117 |
cf |
E |
x,y,z |
1_555 |
7 |
3 |
1326 |
37.0 |
0.2 |
0.786 |
0 |
0 |
0 |
0.000 |
Average: |
42.8 |
0.3 |
0.804 |
0 |
0 |
0 |
0.000 |
17 |
33 |
|
[NH2]J:417 |
1 |
1 |
117 |
◊ |
D |
x,y,z |
1_555 |
6 |
4 |
11159 |
45.5 |
0.8 |
0.871 |
0 |
0 |
0 |
0.000 |
34 |
|
[NH2]H:417 |
1 |
1 |
117 |
◊ |
I |
x,y,z |
1_555 |
9 |
4 |
11080 |
43.6 |
0.6 |
0.804 |
0 |
0 |
0 |
0.000 |
35 |
|
[NH2]C:417 |
1 |
1 |
117 |
◊ |
A |
x,y,z |
1_555 |
5 |
3 |
10996 |
43.5 |
0.8 |
0.865 |
0 |
0 |
0 |
0.000 |
36 |
|
[NH2]F:417 |
1 |
1 |
117 |
◊ |
G |
x,y,z |
1_555 |
7 |
4 |
11073 |
42.9 |
0.5 |
0.832 |
0 |
0 |
0 |
0.000 |
37 |
|
[NH2]E:417 |
1 |
1 |
117 |
◊ |
B |
x,y,z |
1_555 |
6 |
3 |
11193 |
39.7 |
0.7 |
0.865 |
0 |
0 |
0 |
0.000 |
Average: |
43.1 |
0.7 |
0.848 |
0 |
0 |
0 |
0.000 |
18 |
38 |
|
I |
5 |
2 |
11080 |
x |
I |
-y-1,x-y-1,z-1/3 |
3_444 |
8 |
2 |
11080 |
37.0 |
-0.1 |
0.539 |
0 |
0 |
0 |
0.000 |
19 |
39 |
|
[NH2]E:417 |
1 |
1 |
117 |
◊ |
A |
x-y,x,z-1/6 |
2_554 |
4 |
1 |
10996 |
25.0 |
-0.0 |
0.604 |
0 |
0 |
0 |
0.001 |
40 |
|
D |
4 |
1 |
11159 |
◊ |
[NH2]F:417 |
x-y,x,z-1/6 |
2_554 |
1 |
1 |
117 |
24.1 |
-0.1 |
0.571 |
0 |
0 |
0 |
0.001 |
Average: |
24.6 |
-0.1 |
0.587 |
0 |
0 |
0 |
0.001 |
20 |
41 |
|
B |
3 |
2 |
11193 |
◊ |
G |
x-y,x,z-1/6 |
2_554 |
3 |
2 |
11073 |
15.7 |
-0.4 |
0.365 |
0 |
0 |
0 |
0.000 |
21 |
42 |
|
[NH2]H:417 |
1 |
1 |
117 |
◊ |
B |
-y-1,x-y-1,z-1/3 |
3_444 |
3 |
1 |
11193 |
5.6 |
0.0 |
0.761 |
0 |
0 |
0 |
0.000 |
22 |
43 |
|
E |
2 |
1 |
1326 |
◊ |
G |
x-y,x,z-1/6 |
2_554 |
1 |
1 |
11073 |
2.5 |
-0.0 |
0.555 |
0 |
0 |
0 |
0.000 |
|