## |
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 |
125 |
36 |
11218 |
◊ |
A |
x,y,z |
1_555 |
120 |
32 |
11324 |
1194.2 |
-12.5 |
0.136 |
13 |
7 |
0 |
1.000 |
2 |
|
G |
120 |
33 |
11346 |
◊ |
A |
x,y,z |
1_555 |
125 |
35 |
11324 |
1186.8 |
-12.8 |
0.130 |
11 |
4 |
0 |
1.000 |
3 |
|
I |
118 |
34 |
11224 |
◊ |
D |
x,y,z |
1_555 |
121 |
31 |
11358 |
1166.6 |
-10.2 |
0.214 |
16 |
9 |
0 |
1.000 |
4 |
|
I |
119 |
31 |
11224 |
◊ |
G |
x,y,z |
1_555 |
120 |
35 |
11346 |
1155.5 |
-13.4 |
0.113 |
12 |
5 |
0 |
1.000 |
5 |
|
D |
116 |
33 |
11358 |
◊ |
B |
x,y,z |
1_555 |
116 |
32 |
11218 |
1137.3 |
-12.2 |
0.133 |
11 |
3 |
0 |
1.000 |
Average: |
1168.1 |
-12.2 |
0.145 |
13 |
6 |
0 |
1.000 |
2 |
6 |
|
A |
59 |
15 |
11324 |
◊ |
B |
x-1/2,-y-1/2,-z |
4_445 |
59 |
16 |
11218 |
521.7 |
-0.5 |
0.637 |
10 |
0 |
0 |
0.000 |
3 |
7 |
|
C |
42 |
10 |
1441 |
◊ |
B |
x,y,z |
1_555 |
70 |
17 |
11218 |
448.5 |
-8.9 |
0.228 |
1 |
2 |
0 |
1.000 |
8 |
|
J |
39 |
10 |
1385 |
◊ |
I |
x,y,z |
1_555 |
56 |
15 |
11224 |
435.0 |
-8.6 |
0.191 |
4 |
2 |
0 |
1.000 |
9 |
|
E |
40 |
10 |
1451 |
◊ |
D |
x,y,z |
1_555 |
63 |
16 |
11358 |
428.5 |
-8.7 |
0.237 |
5 |
2 |
0 |
1.000 |
10 |
|
H |
40 |
10 |
1352 |
◊ |
G |
x,y,z |
1_555 |
58 |
15 |
11346 |
417.6 |
-8.1 |
0.248 |
4 |
2 |
0 |
1.000 |
11 |
|
F |
39 |
10 |
1440 |
◊ |
A |
x,y,z |
1_555 |
56 |
16 |
11324 |
417.4 |
-8.1 |
0.222 |
4 |
3 |
0 |
1.000 |
Average: |
429.4 |
-8.5 |
0.225 |
4 |
2 |
0 |
1.000 |
4 |
12 |
|
E |
37 |
9 |
1451 |
◊ |
B |
x,y,z |
1_555 |
51 |
17 |
11218 |
427.1 |
-4.3 |
0.525 |
3 |
2 |
0 |
0.188 |
13 |
|
J |
40 |
9 |
1385 |
◊ |
D |
x,y,z |
1_555 |
47 |
16 |
11358 |
418.1 |
-5.3 |
0.405 |
4 |
2 |
0 |
0.188 |
14 |
|
C |
37 |
9 |
1441 |
◊ |
A |
x,y,z |
1_555 |
45 |
16 |
11324 |
410.3 |
-4.6 |
0.373 |
3 |
1 |
0 |
0.188 |
15 |
|
F |
36 |
9 |
1440 |
◊ |
G |
x,y,z |
1_555 |
52 |
16 |
11346 |
408.7 |
-5.2 |
0.410 |
4 |
2 |
0 |
0.188 |
16 |
|
H |
37 |
10 |
1352 |
◊ |
I |
x,y,z |
1_555 |
44 |
17 |
11224 |
406.1 |
-4.0 |
0.542 |
3 |
3 |
0 |
0.188 |
Average: |
414.0 |
-4.7 |
0.451 |
3 |
2 |
0 |
0.188 |
5 |
17 |
|
I |
41 |
16 |
11224 |
◊ |
D |
-x,y-1/2,-z+1/2 |
3_545 |
31 |
9 |
11358 |
319.2 |
-1.4 |
0.522 |
2 |
0 |
0 |
0.000 |
6 |
18 |
|
G |
19 |
7 |
11346 |
◊ |
D |
x-1,y,z |
1_455 |
25 |
6 |
11358 |
207.5 |
-0.5 |
0.566 |
1 |
0 |
0 |
0.000 |
7 |
19 |
|
I |
19 |
9 |
11224 |
x |
I |
-x,y-1/2,-z+1/2 |
3_545 |
17 |
3 |
11224 |
174.5 |
-0.3 |
0.593 |
2 |
0 |
0 |
0.000 |
8 |
20 |
|
I |
19 |
6 |
11224 |
◊ |
G |
-x,y-1/2,-z+1/2 |
3_545 |
14 |
4 |
11346 |
142.2 |
0.1 |
0.611 |
1 |
0 |
0 |
0.000 |
9 |
21 |
|
I |
16 |
5 |
11224 |
◊ |
A |
x,y-1,z |
1_545 |
16 |
4 |
11324 |
122.9 |
2.3 |
0.856 |
1 |
2 |
0 |
0.000 |
10 |
22 |
|
H |
11 |
4 |
1352 |
◊ |
D |
-x,y-1/2,-z+1/2 |
3_545 |
14 |
4 |
11358 |
110.6 |
-1.9 |
0.421 |
1 |
0 |
0 |
0.024 |
11 |
23 |
|
F |
6 |
2 |
1440 |
◊ |
D |
x-1,y,z |
1_455 |
7 |
3 |
11358 |
57.6 |
-0.2 |
0.627 |
1 |
0 |
0 |
0.000 |
12 |
24 |
|
[NH2]E:417 |
1 |
1 |
117 |
◊ |
B |
x,y,z |
1_555 |
8 |
4 |
11218 |
53.2 |
0.9 |
0.839 |
0 |
0 |
0 |
0.000 |
25 |
|
[NH2]C:417 |
1 |
1 |
117 |
◊ |
A |
x,y,z |
1_555 |
8 |
4 |
11324 |
50.7 |
0.8 |
0.817 |
0 |
0 |
0 |
0.000 |
26 |
|
[NH2]J:417 |
1 |
1 |
117 |
◊ |
D |
x,y,z |
1_555 |
8 |
4 |
11358 |
50.5 |
0.8 |
0.834 |
0 |
0 |
0 |
0.000 |
27 |
|
[NH2]H:417 |
1 |
1 |
117 |
◊ |
I |
x,y,z |
1_555 |
8 |
4 |
11224 |
48.2 |
0.8 |
0.841 |
0 |
0 |
0 |
0.000 |
28 |
|
[NH2]F:417 |
1 |
1 |
117 |
◊ |
G |
x,y,z |
1_555 |
7 |
4 |
11346 |
47.8 |
0.9 |
0.844 |
0 |
0 |
0 |
0.000 |
Average: |
50.1 |
0.8 |
0.835 |
0 |
0 |
0 |
0.000 |
13 |
29 |
|
H |
7 |
2 |
1352 |
◊ |
B |
-x,y-1/2,-z+1/2 |
3_545 |
11 |
4 |
11218 |
47.9 |
-1.4 |
0.398 |
0 |
0 |
0 |
0.015 |
14 |
30 |
|
[NH2]H:417 |
1 |
1 |
117 |
cf |
H |
x,y,z |
1_555 |
7 |
3 |
1352 |
45.3 |
0.3 |
0.759 |
0 |
0 |
0 |
0.000 |
31 |
|
[NH2]J:417 |
1 |
1 |
117 |
cf |
J |
x,y,z |
1_555 |
8 |
4 |
1385 |
43.8 |
0.3 |
0.771 |
0 |
0 |
0 |
0.000 |
32 |
|
[NH2]F:417 |
1 |
1 |
117 |
cf |
F |
x,y,z |
1_555 |
6 |
3 |
1440 |
43.5 |
0.2 |
0.710 |
0 |
0 |
0 |
0.000 |
33 |
|
[NH2]C:417 |
1 |
1 |
117 |
cf |
C |
x,y,z |
1_555 |
5 |
2 |
1441 |
43.2 |
0.2 |
0.668 |
0 |
0 |
0 |
0.000 |
34 |
|
[NH2]E:417 |
1 |
1 |
117 |
cf |
E |
x,y,z |
1_555 |
5 |
2 |
1451 |
41.9 |
0.2 |
0.697 |
0 |
0 |
0 |
0.000 |
Average: |
43.6 |
0.2 |
0.721 |
0 |
0 |
0 |
0.000 |
15 |
35 |
|
A |
8 |
3 |
11324 |
◊ |
C |
x-1/2,-y-1/2,-z |
4_445 |
5 |
2 |
1441 |
41.3 |
-0.4 |
0.546 |
0 |
0 |
0 |
0.000 |
16 |
36 |
|
I |
6 |
4 |
11224 |
◊ |
B |
-x,y-1/2,-z+1/2 |
3_545 |
6 |
2 |
11218 |
39.0 |
0.9 |
0.808 |
1 |
2 |
0 |
0.000 |
17 |
37 |
|
F |
5 |
1 |
1440 |
◊ |
E |
x-1,y,z |
1_455 |
3 |
2 |
1451 |
22.1 |
-0.3 |
0.610 |
0 |
0 |
0 |
0.000 |
18 |
38 |
|
F |
4 |
2 |
1440 |
◊ |
B |
x-1/2,-y-1/2,-z |
4_445 |
1 |
1 |
11218 |
20.5 |
-0.4 |
0.254 |
0 |
0 |
0 |
0.000 |
19 |
39 |
|
G |
3 |
1 |
11346 |
◊ |
B |
-x,y-1/2,-z+1/2 |
3_545 |
1 |
1 |
11218 |
17.4 |
-0.1 |
0.321 |
0 |
0 |
0 |
0.000 |
20 |
40 |
|
G |
2 |
2 |
11346 |
◊ |
E |
x-1,y,z |
1_455 |
2 |
2 |
1451 |
11.1 |
0.3 |
0.772 |
0 |
0 |
0 |
0.000 |
21 |
41 |
|
[NH2]H:417 |
1 |
1 |
117 |
◊ |
D |
-x,y-1/2,-z+1/2 |
3_545 |
2 |
1 |
11358 |
4.4 |
0.1 |
0.813 |
0 |
0 |
0 |
0.000 |
|