## |
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 |
115 |
36 |
14299 |
◊ |
B |
-x,-y+1,z |
4_565 |
115 |
36 |
14299 |
1090.1 |
-6.5 |
0.307 |
8 |
0 |
0 |
0.077 |
2 |
|
A |
116 |
39 |
14205 |
◊ |
A |
-x,-y+1,z |
4_565 |
115 |
39 |
14205 |
1033.8 |
-9.1 |
0.221 |
6 |
2 |
0 |
0.077 |
Average: |
1062.0 |
-7.8 |
0.264 |
7 |
1 |
0 |
0.077 |
2 |
3 |
|
I |
44 |
5 |
887 |
◊ |
A |
x,y,z |
1_555 |
85 |
30 |
14205 |
621.2 |
-6.9 |
0.702 |
13 |
0 |
0 |
1.000 |
4 |
|
J |
44 |
5 |
898 |
◊ |
B |
x,y,z |
1_555 |
87 |
28 |
14299 |
611.1 |
-6.7 |
0.696 |
14 |
0 |
0 |
1.000 |
5 |
|
L |
41 |
5 |
924 |
◊ |
D |
x,y,z |
1_555 |
76 |
28 |
13926 |
589.4 |
-7.9 |
0.636 |
12 |
0 |
0 |
1.000 |
6 |
|
K |
39 |
5 |
852 |
◊ |
C |
x,y,z |
1_555 |
72 |
26 |
14367 |
556.4 |
-7.9 |
0.614 |
12 |
0 |
0 |
1.000 |
Average: |
594.6 |
-7.3 |
0.662 |
13 |
0 |
0 |
1.000 |
3 |
7 |
|
C |
61 |
18 |
14367 |
◊ |
A |
x,y,z |
1_555 |
60 |
17 |
14205 |
558.6 |
2.8 |
0.849 |
9 |
3 |
0 |
0.000 |
8 |
|
D |
60 |
18 |
13926 |
◊ |
B |
x,y,z |
1_555 |
60 |
18 |
14299 |
550.1 |
2.5 |
0.853 |
10 |
5 |
0 |
0.000 |
9 |
|
C |
60 |
17 |
14367 |
◊ |
A |
x-y,x,z+1/3 |
6_555 |
54 |
16 |
14205 |
533.2 |
0.8 |
0.736 |
4 |
3 |
0 |
0.000 |
10 |
|
B |
51 |
15 |
14299 |
◊ |
D |
x-y,x,z+1/3 |
6_555 |
49 |
16 |
13926 |
453.4 |
-0.3 |
0.643 |
5 |
3 |
0 |
0.000 |
Average: |
523.8 |
1.4 |
0.770 |
7 |
4 |
0 |
0.000 |
4 |
11 |
|
D |
51 |
16 |
13926 |
◊ |
A |
x,y,z |
1_555 |
51 |
17 |
14205 |
380.2 |
-0.2 |
0.694 |
5 |
0 |
0 |
0.000 |
12 |
|
C |
48 |
14 |
14367 |
◊ |
B |
x,y,z |
1_555 |
50 |
14 |
14299 |
370.4 |
-0.8 |
0.577 |
5 |
0 |
0 |
0.000 |
Average: |
375.3 |
-0.5 |
0.635 |
5 |
0 |
0 |
0.000 |
5 |
13 |
|
D |
40 |
15 |
13926 |
◊ |
B |
-x+y,y,-z+1 |
11_556 |
40 |
15 |
14299 |
373.2 |
-0.3 |
0.644 |
5 |
0 |
0 |
0.000 |
6 |
14 |
|
[1PE]A:401 |
12 |
1 |
513 |
◊ |
D |
x,y,z |
1_555 |
28 |
10 |
13926 |
188.4 |
-0.4 |
0.442 |
1 |
0 |
0 |
0.000 |
7 |
15 |
|
[1PE]A:401 |
14 |
1 |
513 |
f |
A |
x,y,z |
1_555 |
24 |
8 |
14205 |
178.3 |
-0.5 |
0.424 |
3 |
0 |
0 |
0.100 |
8 |
16 |
|
[PGE]B:401 |
10 |
1 |
336 |
f |
B |
x,y,z |
1_555 |
25 |
7 |
14299 |
174.1 |
3.2 |
0.184 |
5 |
0 |
0 |
0.000 |
9 |
17 |
|
[PGE]C:401 |
9 |
1 |
325 |
◊ |
C |
x,y,z |
1_555 |
24 |
7 |
14367 |
168.7 |
5.0 |
0.148 |
3 |
0 |
0 |
0.000 |
10 |
18 |
|
[1PE]D:403 |
12 |
1 |
415 |
◊ |
D |
x,y,z |
1_555 |
22 |
9 |
13926 |
158.4 |
1.7 |
0.667 |
2 |
0 |
0 |
0.000 |
11 |
19 |
|
[MES]B:402 |
12 |
1 |
337 |
◊ |
B |
x,y,z |
1_555 |
16 |
7 |
14299 |
133.2 |
2.5 |
0.040 |
0 |
0 |
0 |
0.000 |
12 |
20 |
|
[BOC]I:1 |
6 |
1 |
253 |
◊ |
A |
x,y,z |
1_555 |
18 |
10 |
14205 |
130.3 |
2.9 |
0.336 |
0 |
0 |
0 |
0.000 |
21 |
|
[BOC]L:1 |
6 |
1 |
254 |
◊ |
D |
x,y,z |
1_555 |
17 |
9 |
13926 |
130.2 |
2.8 |
0.340 |
0 |
0 |
0 |
0.000 |
22 |
|
[BOC]K:1 |
6 |
1 |
252 |
◊ |
C |
x,y,z |
1_555 |
17 |
9 |
14367 |
129.7 |
2.8 |
0.326 |
0 |
0 |
0 |
0.000 |
23 |
|
[BOC]J:1 |
6 |
1 |
254 |
◊ |
B |
x,y,z |
1_555 |
18 |
10 |
14299 |
128.9 |
2.8 |
0.324 |
0 |
0 |
0 |
0.000 |
Average: |
129.8 |
2.8 |
0.331 |
0 |
0 |
0 |
0.000 |
13 |
24 |
|
[PEG]A:402 |
6 |
1 |
258 |
◊ |
A |
x,y,z |
1_555 |
19 |
7 |
14205 |
115.6 |
4.1 |
0.545 |
1 |
0 |
0 |
0.000 |
14 |
25 |
|
[PGE]D:402 |
7 |
1 |
337 |
◊ |
B |
x,y,z |
1_555 |
16 |
4 |
14299 |
106.1 |
2.3 |
0.251 |
0 |
0 |
0 |
0.000 |
15 |
26 |
|
[1PE]D:403 |
9 |
1 |
415 |
f |
B |
-x+y,y,-z+1 |
11_556 |
13 |
7 |
14299 |
103.5 |
-1.5 |
0.308 |
0 |
0 |
0 |
0.140 |
16 |
27 |
|
[PGE]D:402 |
9 |
1 |
337 |
f |
D |
x,y,z |
1_555 |
11 |
4 |
13926 |
96.5 |
2.7 |
0.187 |
0 |
0 |
0 |
0.000 |
17 |
28 |
|
[FOR]J:101 |
2 |
1 |
140 |
◊ |
B |
x,y,z |
1_555 |
7 |
4 |
14299 |
65.4 |
-1.4 |
0.374 |
0 |
0 |
0 |
0.130 |
18 |
29 |
|
[PGE]B:401 |
6 |
1 |
336 |
◊ |
C |
x,y,z |
1_555 |
6 |
3 |
14367 |
59.7 |
1.5 |
0.212 |
1 |
0 |
0 |
0.000 |
19 |
30 |
|
[FOR]J:101 |
2 |
1 |
140 |
cf |
J |
x,y,z |
1_555 |
5 |
4 |
898 |
58.0 |
-0.4 |
0.750 |
0 |
0 |
0 |
0.049 |
20 |
31 |
|
[NA]D:401 |
1 |
1 |
125 |
f |
[PGE]D:402 |
x,y,z |
1_555 |
8 |
1 |
337 |
58.0 |
-6.8 |
0.000 |
0 |
0 |
0 |
0.382 |
21 |
32 |
|
[MES]B:402 |
5 |
1 |
337 |
f |
D |
x,y,z |
1_555 |
8 |
3 |
13926 |
56.0 |
0.5 |
0.080 |
0 |
0 |
0 |
0.000 |
22 |
33 |
|
[PGE]C:401 |
5 |
1 |
325 |
f |
B |
x,y,z |
1_555 |
5 |
2 |
14299 |
55.9 |
1.8 |
0.102 |
0 |
0 |
0 |
0.000 |
23 |
34 |
|
[PEG]A:402 |
5 |
1 |
258 |
f |
I |
x,y,z |
1_555 |
7 |
1 |
887 |
54.3 |
0.8 |
0.347 |
0 |
0 |
0 |
0.000 |
24 |
35 |
|
[BOC]L:1 |
4 |
1 |
254 |
cf |
L |
x,y,z |
1_555 |
5 |
2 |
924 |
54.2 |
-0.5 |
0.163 |
0 |
0 |
0 |
0.100 |
36 |
|
[BOC]J:1 |
4 |
1 |
254 |
cf |
J |
x,y,z |
1_555 |
6 |
2 |
898 |
53.7 |
-0.5 |
0.164 |
0 |
0 |
0 |
0.100 |
37 |
|
[BOC]K:1 |
4 |
1 |
252 |
cf |
K |
x,y,z |
1_555 |
6 |
2 |
852 |
53.7 |
-0.5 |
0.166 |
0 |
0 |
0 |
0.100 |
38 |
|
[BOC]I:1 |
4 |
1 |
253 |
cf |
I |
x,y,z |
1_555 |
6 |
2 |
887 |
53.4 |
-0.5 |
0.164 |
0 |
0 |
0 |
0.100 |
Average: |
53.7 |
-0.5 |
0.164 |
0 |
0 |
0 |
0.100 |
25 |
39 |
|
D |
5 |
2 |
13926 |
◊ |
D |
-y+1,-x+1,-z+2/3 |
10_665 |
5 |
2 |
13926 |
47.5 |
1.1 |
0.892 |
2 |
0 |
0 |
0.000 |
26 |
40 |
|
I |
5 |
3 |
887 |
◊ |
A |
-x,-y+1,z |
4_565 |
4 |
2 |
14205 |
33.4 |
0.1 |
0.823 |
0 |
0 |
0 |
0.000 |
41 |
|
J |
3 |
2 |
898 |
◊ |
B |
-x,-y+1,z |
4_565 |
2 |
1 |
14299 |
26.2 |
0.1 |
0.726 |
0 |
0 |
0 |
0.000 |
Average: |
29.8 |
0.1 |
0.774 |
0 |
0 |
0 |
0.000 |
27 |
42 |
|
[NA]D:401 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
2 |
1 |
13926 |
27.4 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.185 |
28 |
43 |
|
[BOC]J:1 |
2 |
1 |
254 |
◊ |
B |
-x,-y+1,z |
4_565 |
2 |
1 |
14299 |
13.9 |
-0.0 |
0.246 |
0 |
0 |
0 |
0.000 |
44 |
|
[BOC]I:1 |
3 |
1 |
253 |
◊ |
A |
-x,-y+1,z |
4_565 |
1 |
1 |
14205 |
13.8 |
-0.0 |
0.143 |
0 |
0 |
0 |
0.000 |
Average: |
13.9 |
-0.0 |
0.195 |
0 |
0 |
0 |
0.000 |
29 |
45 |
|
[PGE]C:401 |
2 |
1 |
325 |
f |
[PGE]B:401 |
x,y,z |
1_555 |
1 |
1 |
336 |
8.0 |
0.5 |
0.122 |
0 |
0 |
0 |
0.000 |
30 |
46 |
|
C |
1 |
1 |
14367 |
◊ |
D |
x-y,x,z+1/3 |
6_555 |
1 |
1 |
13926 |
1.2 |
0.0 |
0.678 |
0 |
0 |
0 |
0.000 |
31 |
47 |
|
[NA]D:401 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
14299 |
0.6 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.000 |
|